Citrus × aurantium

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Details Top

Internal ID	UUID6440118c5c5c7352297013
Scientific name	Citrus × aurantium
Authority	L.
First published in	Sp. Pl. : 783 (1753)

Description Top

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The tree can be used as a living hedge. The Dutch used to plant a double line of bitter orange trees along the entire length of the Dutch Cape Colony, in order to have their own source of lemons and oranges for preventing scurvy on board of the VOC-ships.

Bitter orange, also known as sour orange or Seville orange, is a citrus tree native to Southeast Asia. It has been spread by humans to many parts of the world and is believed to be a cross between the pomelo and mandarin orange. In some systems, the species includes not only the bitter orange, but also other crosses between the pomelo and wild mandarin. The fruit has a distinct bitter or sour taste and is used for its essential oil, in perfumes, as a flavoring, and for consumption. It is also used in herbal medicine as a stimulant and appetite suppressant. However, bitter orange supplements have been linked to serious side effects and deaths, leading consumer groups to advise against using it medically. The fruit is also used in cooking, particularly in marmalade and as a flavoring for liqueurs. It is also used in traditional medicine in various cultures. Bitter orange has been substituted for the banned herbal stimulant ephedra

Synonyms Top

Scientific name	Authority	First published in
Aurantium acre	Mill.	Gard. Dict. ed. 8 : n.º 1 (1768)
Aurantium bigarella	Poit. & Turpin	Pomol. Franç. 2: t. 106 (1873)
Aurantium corniculatum	Poit. & Turpin	Pomol. Franç. 2: t. 45 (1873)
Aurantium coronatum	Poit. & Turpin	Pomol. Franç. 2: t. 14 (1873)
Aurantium humile	Mill.	Gard. Dict. ed. 8 : n.º 5 (1768)
Aurantium myrtifolium	Descourt.	Fl. Méd. Antilles 3: 308 (1827)
Aurantium orientale	Mill.	Gard. Dict. ed. 8 : n.º 3 (1768)
Aurantium silvestre	Pritz.	Icon. Bot. Index 1: 127 (1854)
Aurantium sinense	Mill.	Gard. Dict. ed. 8 : n.º 2 (1768)
Aurantium variegatum	hort. ex Barb.Rodr.	Hort. Flumin. 1893: 51 (1895)
Citrus amara	Link	Handbuch 2: 346 (1831)
Citrus anonyma	Yu.Tanaka	Icon. Jap. Citrus Fruits 2: 291 (1948)
Citrus aurantium subsp. amara	(Link) Engl.	Nat. Pflanzenfam. 3(4): 198 1896
Citrus aurantium var. bigaradia	(Loisel.) Brandis	Forest Fl. N.W. India 53 1874
Citrus aurantium f. intermedia	(hort. ex Tanaka) M.Hiroe	Forest Pl. Hist. Jap. Islands 1: 226. 1974
Citrus aurantium var. limetta	Guillaumin	Cit. Cult. Sauv. 37
Citrus aurantium var. myrtifolia	Ker Gawl.	Bot. Reg. 4: t. 346 1818
Citrus aurantium f. natsudaidai	(Tanaka) M.Hiroe	Forest Pl. Hist. Jap. Islands 1: 228. 1974
Citrus aurantium var. sanguinea	Engl.	Nat. Pflanzenfam. 3(4): 198 1896
Citrus aurantium var. sinensis	L.	Sp. Pl. : 783 (1753)
Citrus aurantium subsp. sinensis	(L.) Engl.	Nat. Pflanzenfam. 3(4): 198 1896
Citrus aurantium subsp. suntra	Engl.	Nat. Pflanzenfam. 3(4): 199 1896
Citrus aurantium var. tachibana	Makino	J. Jap. Hort. Soc. 75: 2. 1896
Citrus aurantium var. natsudaidai	Yu.Tanaka	Ic. Eucit. Jap. 50 1911
Citrus benikoji	Yu.Tanaka	Stud. Citrol. : 83 (1933)
Citrus bigaradia	Loisel.	Traité Arbr. Arbust. , nouv. ed., 7: 99 (1819)
Citrus bigaradia var. cyathifera	Risso & Poit.	Hist. Nat. Orangers 1: 81 1819
Citrus calot	Lag.	Gen. Sp. Pl. : 17 (1816)
Citrus canaliculata	Yu.Tanaka	Icon. Jap. Citrus Fruits 2: 271 (sphalm. canariculata); vide Hara, -Enum.Spermat. Jap., Pt. 3, 15 (1954). 1948
Citrus changshan-huyou	Y.B.Chang	Bull. Bot. Res., Harbin 11(2): 5 (1991)
Citrus communis	Poit. & Turpin	Pomol. Franç. 2: t. 274 (1873)
Citrus crenatifolia var. lycopersiciformis	Lush.	Indian Forester 36: 343 1910
Citrus daidai	Siebold & Hayata	Icon. Pl. Formosan. 8: 27 (1919)
Citrus decumana var. paradisi	(Macfad.) H.H.A.Nicholls	Bull. Misc. Inform. Kew 21: 205 1888
Citrus dulcimedulla	Pritz.	Icon. Bot. Index 1: 275 (1854)
Citrus dulcis	Pers.	Syn. Pl. [Persoon] 2(1): 74. 1806 [Nov 1806]
Citrus florida	Salisb.	Prodr. Stirp. Chap. Allerton : 378 (1796)
Citrus funadoko	Yu.Tanaka	Icon. Jap. Citrus Fruits 2: 283 (1948)
Citrus fusca	Lour.	Fl. Cochinch. : 467 (1790)
Citrus glaberrima	Yu.Tanaka	Mem. Tanaka Citrus Exp. Sta. 1(1): 24 (1927)
Citrus grandis var. dulcis	Yu.Tanaka	Icon. Jap. Citrus Fruits 1: 176 1946
Citrus grandis f. benikawa	Yu.Tanaka
Citrus grandis var. glaberrima	(hort. ex Tanaka) Karaya	Sborn. Nauchn. Trudov Prikl. Bot. Genet. Selekts. 112: 67 (1987)
Citrus grandis var. kotokan	(Hayata) Karaya	Sborn. Nauchn. Trudov Prikl. Bot. Genet. Selekts. 112: 65 (1987)
Citrus grandis var. natsudaidai	(Tanaka) Karaya	Sborn. Nauchn. Trudov Prikl. Bot. Genet. Selekts. 112: 67 (1987)
Citrus grandis var. racemosa	(Roem.) B.C.Stone	Revis. Handb. Fl. Ceylon 5: 427 (1985)
Citrus grandis var. sulcata	(Ik.Takah.) Karaya	Sborn. Nauchn. Trudov Prikl. Bot. Genet. Selekts. 112: 67 (1987)
Citrus grandis var. tengu	(Yu.Tanaka) Karaya	Sborn. Nauchn. Trudov Prikl. Bot. Genet. Selekts. 112: 66 (1987)
Citrus humilis	Poir.	Encycl. 4: 580 (1798)
Citrus intermedia	Yu.Tanaka	Mem. Tanaka Citrus Exp. Sta. 1(1): 24 (1927)
Citrus iwaikan	Yu.Tanaka	Icon. Jap. Citrus Fruits 2: 286 (1948)
Citrus iyo	Yu.Tanaka	in Stud. Citrol. vii. 74 (1935), japonice.
Citrus karna	Raf.	Sylva Tellur. : 142 (1838)
Citrus keraji	Yu.Tanaka	Stud. Citrol. 7: 75. 1935
Citrus kotokan	Hayata	Icon. Pl. Formosan. 8: 30 (1919)
Citrus leiocarpa var. tumida	Yu.Tanaka	Icon. Jap. Citrus Fruits 2: 494 1948
Citrus maderaspatana	hort. ex Tanaka	J. Indian Bot. Soc. 16: 238 (1937)
Citrus maxima var. uvacarpa	Merr.	Amer. J. Bot. 11: 383 (1924)
Citrus medica f. tamurana	(Tanaka) M.Hiroe	Forest Pl. Hist. Jap. Islands 1: 220. 1974
Citrus medioglobosa	Yu.Tanaka	Mem. Tanaka Citrus Exp. Sta. 1(1): 26 (1927)
Citrus mitsuharu	Yu.Tanaka	Icon. Jap. Citrus Fruits 1: 197 (1946)
Citrus myrtifolia	(Ker Gawl.) Raf.	Sylva Tellur. : 141 (1838)
Citrus natsudaidai	(Yu.Tanaka) Hayata	Icon. Pl. Formosan. 8: 29 (1919)
Citrus nobilis var. deliciosa	(Ten.) Swingle	Pl. Wilson. 2(1): 143 1914
Citrus nobilis var. genshokan	Hayata	Icon. Pl. Formosan. 8: 24 1919
Citrus nobilis var. koozi	Sieb. ex Yu.Tanaka	Bot. Mag. (Tokyo) 26: 204 1912
Citrus nobilis var. ponki	Hayata	Icon. Pl. Formosan. 8: 20 1919
Citrus nobilis var. poonensis	Hayata	Icon. Pl. Formosan. 8: 23 1919
Citrus nobilis var. rubrifrons	Yu.Tanaka	Ic. Eucit. Jap. 99 1911
Citrus nobilis var. subcompressa	Yu.Tanaka	Stud. Citrol. 1(2): 36 1927
Citrus nobilis var. sunki	Hayata	Icon. Pl. Formosan. 8: 21 1919
Citrus nobilis f. tumida	(Yu.Tanaka) M.Hiroe	Forest Pl. Hist. Jap. Islands 1: 212 (1974)
Citrus omikanto	Yu.Tanaka	Icon. Jap. Citrus Fruits 1: 222 (1946)
Citrus oto	hort. ex Yu.Tanaka	Icon. Jap. Citrus Fruits 2: 420 (1948)
Citrus pseudogulgul	Shirai	Jap. Names Trees 459 1933
Citrus pseudoparadisi	hort. ex Yu.Tanaka	Icon. Jap. Citrus Fruits 1: 199 (1946)
Citrus racemosa	Marcow. ex Tanaka	Stud. Citrol. 1(1): 56 (1927)
Citrus reshni	(Engl.) Yu.Tanaka	Stud. Citrol. 7: 68 (1935)
Citrus reticulata	Blanco	Fl. Filip. : 610 (1837)
Citrus reticulata var. austera	Swingle	J. Wash. Acad. Sci. 32: 25 1942
Citrus reticulata subsp. deliciosa	(Ten.) D.Rivera, Obón, S.Ríos, Selma, F.Méndez, Verde & F.Cano	Varied. Tradic. Frutales Río Segura Cat. Etnobot. Cítricos 187. 1998
Citrus reticulata subsp. tachibana	(Tanaka) D.Rivera & al.	Varied. Tradic. Frutales Río Segura Cat. Etnobot. Cítricos 189. 1998
Citrus reticulata subsp. unshiu	(Marcow.) D.Rivera & al.	Varied. Trad. Frut. Cuenca Río Segura Cat. Etnobot. 181 1998
Citrus rokugatsu	Yu.Tanaka	Icon. Jap. Citrus Fruits 2: 396 (1948)
Citrus rumphii	Risso	Fl. Nice 83 (1844).. 1844
Citrus sabon f. banyu	Hayata	Icon. Pl. Formosan. 8: 19 1919
Citrus sabon f. hakunikuyu	Hayata	Icon. Pl. Formosan. 8: 19 1919
Citrus sabon f. jiyu	Hayata	Icon. Pl. Formosan. 8: 19 1919
Citrus sabon f. mitsuyu	Hayata	Icon. Pl. Formosan. 8: 19 1919
Citrus sabon f. sekitoyu	Hayata	Icon. Pl. Formosan. 8: 19 1919
Citrus sabon f. soyu	Hayata	Icon. Pl. Formosan. 8: 19 1919
Citrus sinensis subsp. crassa	(Risso) D.Rivera, Obón, S.Ríos, Selma, F.Méndez, Verde & F.Cano	Varied. Tradic. Frutales Río Segura Cat. Etnobot. Cítricos 179. 1998
Citrus sinensis subsp. fetifera	(Risso) D.Rivera, Obón, S.Ríos, Selma, F.Méndez, Verde & F.Cano	Varied. Tradic. Frutales Río Segura Cat. Etnobot. Cítricos 176. 1998
Citrus sinensis subsp. hierochuntica	(Risso) D.Rivera, Obón, S.Ríos, Selma, F.Méndez, Verde & F.Cano	Varied. Tradic. Frutales Río Segura Cat. Etnobot. Cítricos 168. 1998
Citrus sinensis subsp. lusitanica	(Risso) D.Rivera, Obón, S.Ríos, Selma, F.Méndez, Verde & F.Cano	Varied. Tradic. Frutales Río Segura Cat. Etnobot. Cítricos 164. 1998
Citrus sinograndis	Yu.Tanaka	in Stud. Citrol. vii. 74 (1935), japonice.
Citrus subcompressa	(Tanaka) Yu.Tanaka	Stud. Citrol. 5: 35, 98 (1931)
Citrus suhuiensis	Hayata
Citrus sulcata	Yu.Tanaka	in Stud. Citrol. vii. 74 (1935), japonice.
Citrus taiwanica	Yu.Tanaka & Shimada	Bull. Sci. Hort. Inst. Kyushu Imp. Univ. 2: 54 (1926)
Citrus tangelo	J.W.Ingram & H.E.Moore	Baileya 19: 169 (1975)
Citrus tangerina	Tanaka	Mem. Tanaka Citrus Exp. Sta. 1(1):29. 1927
Citrus tankan f. koshotankan	Hayata	Icon. Pl. Formosan. 8: 27 1919
Citrus tarogayo	hort. ex Yu.Tanaka	Icon. Jap. Citrus Fruits 2: 422 (1948)
Citrus tengu	Yu.Tanaka	in Stud. Citrol. vii. 74 (1935), japonice.
Citrus tosa-asahi	Yu.Tanaka	Icon. Jap. Citrus Fruits 1: 194 (1946)
Citrus truncata	Yu.Tanaka	Stud. Citrol. 9: 15 (1939)
Citrus ujukitsu	hort. ex Tanaka	Stud. Citrol. 7: 73 (1935)
Citrus yatsushiro	Yu.Tanaka	Stud. Citrol. 1(1): 37 (1927)
Citrus yuge-hyokan	Yu.Tanaka	Icon. Jap. Citrus Fruits 2: 251 (1948)
Citrus aurantium var. voangkely	H.Perrier	Mém. Acad. Sci. (Paris) 67: 38 1948
Citrus sinensis f. sekkan	Hayata	Icon. Pl. Formosan. 8: 25 1919
Citrus tankan f. haili	Hayata	Icon. Pl. Formosan. 8: 27 1919
Citrus aurantium subsp. natsudaidai	(Yu.Tanaka) Makino & Nemoto	Fl. Japan 666 1925
Citrus koozi	(Sieb. ex Yu.Tanaka) Yu.Tanaka	Mem. Tanaka Citrus Exp. Sta. 1(1): 32 1927
Citrus nobilis var. papillaris	(Blanco) Wester	Philipp. Agric. Rev. 10: 11 1917
Citrus papillaris var. chrysocarpa	(Lush.) Alston	Handb. Fl. Ceyl. 6: 41 1931
Citrus truncata	hort. ex Tanaka	Stud. Citrol. 9: 15 (1939)
Citrus reticulata var. chrysocarpa	(Lush.) Tanaka	J. Soc. Trop. Agric. 10: 353 1938
Citrus tosa-asahi	hort. ex Yu.Tanaka	Icon. Jap. Citrus Fruits 1: 194 (1946)
Citrus omikanto	hort. ex Yu.Tanaka	Icon. Jap. Citrus Fruits 1: 222 (1946)
Citrus aurantium var. voangkely	H.Perrier	Mém. Acad. Sci. (Paris) 67: 38 1948
Citrus aurantium var. amara	L.	Sp. Pl. 783 1753
Citrus nobilis	Lour.	Fl. Cochinch. : 466 (1790)
Citrus nobilis var. deliciosa	(Ten.) Swingle	Pl. Wilson. 2(1): 143 1914
Citrus reshni	hort. ex Tanaka	Stud. Citrol. 7: 68 (1935)
Citrus kotokan	Hayata	Icon. Pl. Formosan. 8: 30 (1919)
Citrus paradisi	Macfad.	Bot. Misc. 1: 304 (1830)
Citrus aurantium var. tachibana	Makino	Nilon Engei-Kwei Zasshi 75: 2 1896
Citrus sinensis	(L.) Osbeck	Reise Ostindien : 250 (1765)
Citrus calot	Lag.	Gen. Sp. Pl. : 17 (1816)
Citrus keraji	hort. ex Tanaka	Iconogr. Jap. Citrus Fruits 2: 414. 1948
Citrus aurantium var. bigaradia	Hook.f.	Fl. Brit. India 1: 515 1875
Citrus leiocarpa	hort. ex Tanaka	Bult. Sci. Fak. Terk. Kjusu Imp. Univ. 2: 193, 198 (1927)
Citrus madurensis var. deliciosa	(Ten.) Sagot
Citrus vangasy	Bojer
Citrus reticulata subsp. tachibana	(Tanaka) D.Rivera, Obón, S.Ríos, Selma, F.Méndez, Verde & F.Cano	Varied. Tradic. Frutales Río Segura Cat. Etnobot. Cítricos 189. 1998
Aurantium corniculatum	Mill.
Aurantium distortum	Mill.
Aurantium vulgaris	M.Gómez	Fl. Habanera 205. 1897
Citrus humilis	(Mill.) Poir.	Encycl. 4: 580 (1798)
Citrus bigaradia	Loisel.	Traité Arbr. Arbust. , nouv. ed., 7: 99 (1819)
Citrus aurantium subsp. suntra	Engl.	Nat. Pflanzenfam. 3(4): 199 1877
Citrus pomelana	Van Deman	Rep. Commiss. Agric. 1887: 642 (1888)

Common names Top

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Filter by language:

Language	Common/alternative name
English	bitter orange
English	sour orange
English	seville orange
English	bigarade orange
English	marmalade orange
Spanish	naranja agria
Spanish	naranja amarga
Spanish	naranja cachorrena
Spanish	naranja cachorreña
Spanish	naranjo amargo
Arabic	النارنج
Arabic	نارنج
Arabic	ليم
Arabic	كباد
Arabic	نفاش
Azerbaijani	narınc
azb	نارینج
bar	bitterorange
bar	pomeranze
bar	bittapamarantschn
Bulgarian	бигардия
Bulgarian	горчив портокал
Bambara	matarini
Tibetan	ཚ་ལུ་མ་སྐྱུར་མོ།
Catalan	taronger agre
Catalan	taronger amargant
Catalan	taronja agre
ch	kahet
co	citronu
Czech	pomerančovník hořký
Danish	pomerans
German	bitterorange
German	pomeranze
German	pomeranzenschale
German	saure orange
Greek	Νερατζιά
Greek	Κιτρομηλιά
Greek	Νεραντζάκι
Greek	Νεραντζέα
Greek	Νεράντζι
Greek	Νεράτζι
Greek	Ξινονεραντζιά
Greek	Νεραντζιά
Esperanto	bigaradujo
Estonian	hapuapelsinipuu
Estonian	mõruapelsinipuu
Estonian	pomerantsipuu
Basque	laranja mingots
Persian	نارنج
Finnish	hapanappelsiini
Finnish	pomeranssi
Finnish	pomeranssinkuori
French	bigaradier
French	bigarade
French	orange amer
French	orange amère
French	orange de séville
French	oranger amer
frr	bateraapelsiin
Galician	laranxeira amarga
Hebrew	חושחש
Croatian	gorka naranča
Upper Sorbian	pomeranča
ht	zoranj konmenn
Hungarian	sevillai narancs
Hungarian	keserű narancs
Indonesian	jeruk pahit
Italian	arancia amara
Italian	arancio amaro
Italian	melangolo
Italian	zhi shi
Japanese	だいだい
Japanese	ビターオレンジ
Japanese	回青橙
Japanese	橙柑
Japanese	橙皮
Japanese	ダイダイ
Georgian	ნარინჯი
Kazakh	Бигарадия
Kannada	ಹೇರಳೆಕಾಯಿ
Korean	쓴귤
koi	Померанец
kv	Померанец
la	arancium
la	arantium
la	citrangulum
la	citrangulus
la	aurantium
Lithuanian	karčiavaisis citrinmedis
Latvian	pomerance
Latvian	seviljas apelsīns
Latvian	skābais apelsīns
Latvian	rūgtais apelsīns
mad	jherruk budhun
mrj	Померанец
nap	melángura
Norwegian Bokmål	pomerans
Nepali	मुन्तला
Dutch	zure sinaasappel
Dutch	bittere sinaasappel
Dutch	bittersinaasappel
Norwegian Nynorsk	pomerans
oc	bigaradièr
Polish	pomarańcza gorzka
Polish	pomarańcza kwaśna
Pashto	نارنج
Portuguese	bergamoteira
Portuguese	laranja-azeda
Russian	Померанцевое дерево
Russian	Померанец
sc	aranzu
sc	arantzu
scn	arancia amara
scn	aranciu amaru
sco	bitter oranger
Sinhala	පැණි දොඩම්
Slovenian	grenki pomarančevec
Swedish	storcitrus
Swedish	pomerans
Swahili	mdaranzi
Swahili	mdanzi
Tamil	நரந்தம்
Telugu	చేదు ఆరెంజ్
Telugu	చేదునారింజ
Telugu	చేదు నారింజ
Thai	ส้มซ่า
Tonga	andropogon halepensis
Tonga	sorghum bicolor
Tonga	sorghum halepense
Tonga	sorghum sudanense
Tonga	kola
Turkish	turunç
Turkish	acı portakal
udm	Померанец
Ukrainian	Помаранч
Ukrainian	Помаранча
Ukrainian	Померанець
Urdu	کنو
Uzbek	bigaradiya
Vietnamese	cam chua
Chinese	橙
Chinese	枳实
Chinese	代代酸橙（代代花、玳玳花）
Chinese	來母
Chinese	常山胡柚
Chinese	橙叶
Chinese	橙皮
Chinese	玳玳花
Chinese	甜橙
Chinese	甜橙（橙，柑）
Chinese	积壳
Chinese	酸橙
Chinese	黄果皮(橙子皮)
Chinese	塞维利亚柑橘
Chinese	苦橙

Subspecies (abbr. subsp./ssp.) Top

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Varieties (abbr. var.) Top

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Subvarieties (abbr. subvar.) Top

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Forms (abbr. f.) Top

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Germination/Propagation Top

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No germination or propagation data was added yet.

Distribution (via POWO/KEW) Top

Legend for the distribution data:

- Doubtful data

- Extinct

- Introduced

- Native

Africa click to expand
- Macaronesia
  - Canary Islands
  - Madeira
- Northeast Tropical Africa
  - Ethiopia
  - Socotra
  - Somalia
- Northern Africa
  - Algeria
  - Egypt
  - Libya
  - Morocco
  - Tunisia
- South Tropical Africa
  - Angola
- West Tropical Africa
  - Benin
  - Gambia
  - Guinea-Bissau
- West-central Tropical Africa
  - Gulf Of Guinea Islands
- Western Indian Ocean
  - Mauritius
  - Rodrigues
  - Réunion

Asia-temperate click to expand
- China
  - China North-central
  - China South-central
  - China Southeast
  - Tibet
- Eastern Asia
  - Japan
  - Korea
  - Nansei-shoto
  - Taiwan
- Middle Asia
  - Tadzhikistan
- Western Asia
  - Iraq

Asia-tropical click to expand
- Indian Subcontinent
  - Assam
  - Bangladesh
  - East Himalaya
  - India
  - Nepal
  - Pakistan
  - Sri Lanka
  - West Himalaya
- Indo-China
  - Cambodia
  - Laos
  - Myanmar
  - Vietnam
- Malesia
  - Borneo
  - Philippines
- Papuasia
  - Solomon Islands

Europe click to expand
- Southeastern Europe
  - Albania
  - Italy
- Southwestern Europe
  - Portugal
  - Spain

Northern America click to expand
- Mexico
  - Mexico Southeast
- Southeastern U.S.A.
  - Florida
  - Louisiana

Pacific click to expand
- Northwestern Pacific
  - Caroline Islands
  - Marianas
- South-central Pacific
  - Cook Islands
  - Line Islands
  - Tuamotu
- Southwestern Pacific
  - New Caledonia
  - Santa Cruz Island
  - Vanuatu
  - Wallis-Futuna Islands

Southern America click to expand
- Brazil
  - Brazil Northeast
  - Brazil South
  - Brazil Southeast
  - Brazil West-central
- Caribbean
  - Bahamas
  - Bermuda
  - Cayman Islands
  - Cuba
  - Dominican Republic
  - Haiti
  - Jamaica
  - Leeward Islands
  - Puerto Rico
  - Trinidad-Tobago
- Central America
  - Belize
  - Central American Pacific
  - Costa Rica
  - El Salvador
  - Honduras
  - Panamá
- Northern South America
  - Venezuela
- Southern South America
  - Argentina Northeast
  - Argentina Northwest
  - Paraguay
- Western South America
  - Ecuador
  - Peru

Links to other databases Top

Suggest others/fix!

Database	ID/link to page
World Flora Online	wfo-0000607909
UNII	80Y06GCJ6T
Florida Plant Atlas	1987
USDA Plants	CIAU8
Tropicos	50100635
INPN	91803
Flora of Italy	9508
KEW	urn:lsid:ipni.org:names:59600-2
The Plant List	kew-2723957
Open Tree Of Life	3942423
NCBI Taxonomy	43166
Nature Serve	2.153219
IPNI	59600-2
iNaturalist	331122
GBIF	3190167
Freebase	/m/020csw
EPPO	CIDAU
US Library of Congress	sh85026226
USDA GRIN	10684
Wikipedia	Bitter_orange
CMAUP	NPO19787
CMAUP	NPO25443
CMAUP	NPO27312
CMAUP	NPO5270
CMAUP	NPO9094

Genomes (via NCBI) Top

Below is displayed the reference genome only!
If you wish to browse all genomes for this plant click here.

Accession	Assembly
Accession	Name	Level	Submitter	Released	Coverage	Size
GCA_046470805.1	ASM4647080v1	Complete Genome	Huazhong Agricultural University	2025-01-06	120.0x	294.33 Mb

Scientific Literature Top

Below are displayed the latest 15 articles published in PMC (PubMed Central®) and other sources (DOI number only)!
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Title

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Curr Neuropharmacol

22-Jun-2024

PMCID:	PMC10964091
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Ralte L, Singh YT

PLoS One

10-May-2024

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PeerJ

06-May-2024

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MethodsX

03-May-2024

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JAMA Netw Open

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Front Pharmacol

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Chem Rev

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Int J Gen Med

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Foods

21-Apr-2024

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Front Pharmacol

19-Apr-2024

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Phytochemical Profile Top

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Below are displayed the proven (via scientific papers) natural compounds!
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Name	PubChem ID	Canonical SMILES	MW	Found in	Proof
> Acetylides
1-Undecyne	75249	Click to see CCCCCCCCCC#C	152.28	unknown	via CMAUP database
> Alkaloids and derivatives / Morphinans
(1S,9S,10R)-3-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,13-tetraen-12-one	11667062	Click to see CN1CCC23C=C(C(=O)CC2C1CC4=C3C(=C(C=C4)OC)O)OC	329.40	unknown	via CMAUP database
Morphinan-4,5-epoxy-3,6-di-ol, 6-[7-nitrobenzofurazan-4-yl]amino-	543326	Click to see C1CC1CN2CCC34C5C2CC6=C3C(=C(C=C6)O)OC4C(C(C5)O)NC7=CC=C(C8=NON=C78)[N+](=O)[O-]	505.50	unknown	via CMAUP database
> Alkaloids and derivatives / Phthalide isoquinolines
(3R)-6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one	5320010	Click to see CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3	413.40	unknown	via CMAUP database
3-(4-hydroxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,7-dimethoxy-3H-2-benzofuran-1-one	3496496	Click to see CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)O)OCO3	399.40	unknown	via CMAUP database
6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one	19728	Click to see CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3	413.40	unknown	via CMAUP database
Noscapine	275196	Click to see CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3	413.40	unknown	via CMAUP database
> Alkaloids and derivatives / Pleiocarpaman alkaloids
methyl (13Z)-13-ethylidene-1,11-diazapentacyclo[12.3.1.02,7.08,17.011,16]octadeca-2,4,6,8(17)-tetraene-18-carboxylate	5367881	Click to see CC=C1CN2CCC3=C4C2CC1C(N4C5=CC=CC=C35)C(=O)OC	322.40	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives
1,3-Dioxolane, 2-heptyl-4-phenyl-	558638	Click to see CCCCCCCC1OCC(O1)C2=CC=CC=C2	248.36	unknown	via CMAUP database
1,5-Diphenyl-3-(3-cyclopentylpropyl)pentane	278083	Click to see C1CCC(C1)CCCC(CCC2=CC=CC=C2)CCC3=CC=CC=C3	334.50	unknown	via CMAUP database
Benzene	241	Click to see C1=CC=CC=C1	78.11	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031
Ethylbenzene	7500	Click to see CCC1=CC=CC=C1	106.16	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031
Phenylethyl Alcohol	6054	Click to see C1=CC=C(C=C1)CCO	122.16	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031
> Benzenoids / Benzene and substituted derivatives / Anilides
Formanilide	7671	Click to see C1=CC=C(C=C1)NC=O	121.14	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031
> Benzenoids / Benzene and substituted derivatives / Aniline and substituted anilines / Methoxyanilines
3-(O-Anisidinomethyl)-5-(3-fluorobenzylidene)-2,4-thiazolidinedione	5373288	Click to see COC1=CC=CC=C1NCN2C(=O)C(=CC3=CC(=CC=C3)F)SC2=O	358.40	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
Diethyl Phthalate	6781	Click to see CCOC(=O)C1=CC=CC=C1C(=O)OCC	222.24	unknown	via CMAUP database
Diisobutyl phthalate	6782	Click to see CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C	278.34	unknown	via CMAUP database
Dimethyl anthranilate	6826	Click to see CNC1=CC=CC=C1C(=O)OC	165.19	unknown	via CMAUP database
Methyl Anthranilate	8635	Click to see COC(=O)C1=CC=CC=C1N	151.16	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acids
4-(3-Methylbut-2-enyl)benzoic acid	129924919	Click to see CC(=CCC1=CC=C(C=C1)C(=O)O)C	190.24	unknown	https://doi.org/10.1248/CPB.44.804
Valencic Acid	267137	Click to see CC(=CCOC1=CC=C(C=C1)C(=O)O)C	206.24	unknown	https://doi.org/10.1248/CPB.41.1657
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
2,5-Dihydroxybenzoic acid	3469	Click to see C1=CC(=C(C=C1O)C(=O)O)O	154.12	unknown	via CMAUP database
3,4-Dihydroxybenzoic acid	72	Click to see C1=CC(=C(C=C1C(=O)O)O)O	154.12	unknown	https://doi.org/10.1016/S0308-8146(03)00127-4
3,5-Dihydroxybenzoic acid	7424	Click to see C1=C(C=C(C=C1O)O)C(=O)O	154.12	unknown	via CMAUP database
4-Hydroxybenzoic acid	135	Click to see C1=CC(=CC=C1C(=O)O)O	138.12	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.1016/S0308-8146(03)00127-4
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
Syringic acid	10742	Click to see COC1=CC(=CC(=C1O)OC)C(=O)O	198.17	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Gallic acids
Gallic Acid	370	Click to see C1=C(C=C(C(=C1O)O)O)C(=O)O	170.12	unknown	https://doi.org/10.1016/S0308-8146(03)00127-4
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
Vanillic Acid	8468	Click to see COC1=C(C=CC(=C1)C(=O)O)O	168.15	unknown	https://doi.org/10.1016/S0308-8146(03)00127-4
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / P-methoxybenzoic acids and derivatives
3-Hydroxy-4-methoxybenzoic acid	12575	Click to see COC1=C(C=C(C=C1)C(=O)O)O	168.15	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Salicylic acid and derivatives / Salicylic acids
Salicylic Acid	338	Click to see C1=CC=C(C(=C1)C(=O)O)O	138.12	unknown	https://doi.org/10.1016/S0308-8146(03)00127-4
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / p-Hydroxybenzoic acid esters / p-Hydroxybenzoic acid alkyl esters
Methylparaben	7456	Click to see COC(=O)C1=CC=C(C=C1)O	152.15	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
Benzaldehyde	240	Click to see C1=CC=C(C=C1)C=O	106.12	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031
> Benzenoids / Benzene and substituted derivatives / Benzyl alcohols
Benzyl Alcohol	244	Click to see C1=CC=C(C=C1)CO	108.14	unknown	via CMAUP database
phenylmethan(18O)ol	11062333	Click to see C1=CC=C(C=C1)CO	110.14	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzyl cyanides
Phenylacetonitrile	8794	Click to see C1=CC=C(C=C1)CC#N	117.15	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031
> Benzenoids / Benzene and substituted derivatives / Benzylethers
3-(5-Benzyloxy-3-methylpent-3-enyl)-2,2-dimethyloxirane	5368226	Click to see CC(=CCOCC1=CC=CC=C1)CCC2C(O2)(C)C	260.40	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Cumenes
o-Cymene	10703	Click to see CC1=CC=CC=C1C(C)C	134.22	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / N-phenylureas
1,1'-(4-Methyl-1,3-phenylene)bis[3-(5-benzyl-1,3,4-thiadiazol-2-yl)urea]	560973	Click to see CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)CC3=CC=CC=C3)NC(=O)NC4=NN=C(S4)CC5=CC=CC=C5	556.70	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenethylamines
Hordenine	68313	Click to see CN(C)CCC1=CC=C(C=C1)O	165.23	unknown	https://doi.org/10.1021/JF072030S https://doi.org/10.1021/ACS.JAFC.6B04423
N-Methyltyramine	9727	Click to see CNCCC1=CC=C(C=C1)O	151.21	unknown	https://doi.org/10.1021/JF072030S https://doi.org/10.1248/CPB.40.3284
N-methyltyraminium	25202330	Click to see C[NH2+]CCC1=CC=C(C=C1)O	152.21	unknown	via CMAUP database
Tyramine	5610	Click to see C1=CC(=CC=C1CCN)O	137.18	unknown	https://doi.org/10.1021/JF072030S https://doi.org/10.1021/ACS.JAFC.6B04423
> Benzenoids / Benzene and substituted derivatives / Phenylpropanes
2-(4-Methylphenyl)propan-2-ol	14529	Click to see CC1=CC=C(C=C1)C(C)(C)O	150.22	unknown	via CMAUP database
2,4-Di-tert-butylphenol	7311	Click to see CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C	206.32	unknown	via CMAUP database
2,6-Di-tert-butylhydroquinone	75550	Click to see CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)O	222.32	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenylpropenes
1-Methyl-4-(prop-1-en-2-yl)benzene	62385	Click to see CC1=CC=C(C=C1)C(=C)C	132.20	unknown	via CMAUP database
alpha,3-Dimethylstyrene	70759	Click to see CC1=CC(=CC=C1)C(=C)C	132.20	unknown	via CMAUP database
o-Isopropenyltoluene	81886	Click to see CC1=CC=CC=C1C(=C)C	132.20	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Styrenes
2,2,4,4-Tetramethyl-6-(1-oxo-3-phenylprop-2-enyl)-cyclohexane-1,3,5-trione	11645290	Click to see CC1(C(=O)C(=C(C=CC2=CC=CC=C2)O)C(=O)C(C1=O)(C)C)C	312.40	unknown	via CMAUP database
Styrene	7501	Click to see C=CC1=CC=CC=C1	104.15	unknown	via CMAUP database
trans-beta-Methylstyrene	252325	Click to see CC=CC1=CC=CC=C1	118.18	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Xylenes / p-Xylenes
P-Xylene	7809	Click to see CC1=CC=C(C=C1)C	106.16	unknown	via CMAUP database
> Benzenoids / Naphthalenes
Naphthalen-2-yl-acetic acid, 6-hydroxy-6-methyl-cyclodecyl ester	588229	Click to see CC1(CCCCC(CCCC1)OC(=O)CC2=CC3=CC=CC=C3C=C2)O	354.50	unknown	via CMAUP database
> Benzenoids / Phenol ethers / Anisoles
Peyonine	602258	Click to see COC1=CC(=CC(=C1OC)OC)CCN2C=CC=C2C(=O)O	305.32	unknown	via CMAUP database
> Benzenoids / Phenols / 1-hydroxy-2-unsubstituted benzenoids
(-)-Synephrine	854067	Click to see CNCC(C1=CC=C(C=C1)O)O	167.20	unknown	via CMAUP database
(+)-Octopamine	448337	Click to see C1=CC(=CC=C1C(CN)O)O	153.18	unknown	via CMAUP database
(+)-Synephrine	667452	Click to see CNCC(C1=CC=C(C=C1)O)O	167.20	unknown	via CMAUP database
(R)-synephrine	6951208	Click to see C[NH2+]CC(C1=CC=C(C=C1)O)O	168.21	unknown	via CMAUP database
4-(2-Amino-1-hydroxyethyl)phenol;hydron	121284558	Click to see [H+].C1=CC(=CC=C1C(CN)O)O	154.19	unknown	via CMAUP database
4-[(1R)-2-amino-1-hydroxyethyl]phenol	440266	Click to see C1=CC(=CC=C1C(CN)O)O	153.18	unknown	https://doi.org/10.1021/JF072030S
4-Hydroxyphenylglycolic acid	328	Click to see C1=CC(=CC=C1C(C(=O)O)O)O	168.15	unknown	via CMAUP database
Octopamine	4581	Click to see C1=CC(=CC=C1C(CN)O)O	153.18	unknown	via CMAUP database
Synephrine	7172	Click to see CNCC(C1=CC=C(C=C1)O)O	167.20	unknown	https://doi.org/10.1248/CPB.40.3284 https://doi.org/10.1248/YAKUSHI1947.110.1_82 https://doi.org/10.1248/YAKUSHI1947.113.8_600 https://doi.org/10.1177/00912700122012652 https://doi.org/10.1016/S0367-326X(99)00093-3 https://doi.org/10.1016/0021-9673(92)80381-4 https://doi.org/10.1248/YAKUSHI1947.114.9_691 https://doi.org/10.1021/JF072030S
> Benzenoids / Phenols / 4-alkoxyphenols
4-(3-Methyl-2-butenoxy)phenol	11435274	Click to see CC(=CCOC1=CC=C(C=C1)O)C	178.23	unknown	via CMAUP database
> Benzenoids / Phenols / Methoxyphenols
1,2-Ethanediol, 1-(4-hydroxy-3-methoxyphenyl)-, (R)-	688030	Click to see COC1=C(C=CC(=C1)C(CO)O)O	184.19	unknown	via CMAUP database
2-Methoxy-4-vinylphenol	332	Click to see COC1=C(C=CC(=C1)C=C)O	150.17	unknown	via CMAUP database
cis-Isoeugenol	1549041	Click to see CC=CC1=CC(=C(C=C1)O)OC	164.20	unknown	via CMAUP database
Isoeugenol	853433	Click to see CC=CC1=CC(=C(C=C1)O)OC	164.20	unknown	via CMAUP database
N-Trans-feruloyltramine	5280537	Click to see COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O	313.30	unknown	via CMAUP database
Sinapaldehyde	5280802	Click to see COC1=CC(=CC(=C1O)OC)C=CC=O	208.21	unknown	via CMAUP database
Vanillin	1183	Click to see COC1=C(C=CC(=C1)C=O)O	152.15	unknown	via CMAUP database
> Benzenoids / Phenols / Tyrosols and derivatives / Tyrosols
Tyrosol	10393	Click to see C1=CC(=CC=C1CCO)O	138.16	unknown	via CMAUP database
> Hydrocarbons / Polycyclic hydrocarbons
(-)-Isoledene	91873614	Click to see CC1CCC2C(C2(C)C)C3=C1CCC3C	204.35	unknown	via CMAUP database
(1aR,4R,7R,7bS)-1,1,4,7-Tetramethyl-1a,2,3,4,5,6,7,7b-octahydro-1H-cyclopropa[e]azulene	15431199	Click to see CC1CCC2C(C2(C)C)C3=C1CCC3C	204.35	unknown	via CMAUP database
Isoledene	530426	Click to see CC1CCC2C(C2(C)C)C3=C1CCC3C	204.35	unknown	via CMAUP database
> Hydrocarbons / Saturated hydrocarbons
(6R)-2,6,11-trimethyldodecane	92177376	Click to see CC(C)CCCCC(C)CCCC(C)C	212.41	unknown	via CMAUP database
1-Deuteriodecane	10877229	Click to see CCCCCCCCCC	143.29	unknown	via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Docosane	12405	Click to see CCCCCCCCCCCCCCCCCCCCCC	310.60	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
Eicosane	8222	Click to see CCCCCCCCCCCCCCCCCCCC	282.50	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
Heneicosane	12403	Click to see CCCCCCCCCCCCCCCCCCCCC	296.60	unknown	via CMAUP database
Heptacosane	11636	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCC	380.70	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
Hexacosane	12407	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCC	366.70	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
Nonacosane	12409	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCC	408.80	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
Octacosane	12408	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCC	394.80	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
Octane	356	Click to see CCCCCCCC	114.23	unknown	via CMAUP database
Pentacosane	12406	Click to see CCCCCCCCCCCCCCCCCCCCCCCCC	352.70	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
Tetracosane	12592	Click to see CCCCCCCCCCCCCCCCCCCCCCCC	338.70	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
Tricosane	12534	Click to see CCCCCCCCCCCCCCCCCCCCCCC	324.60	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
> Hydrocarbons / Saturated hydrocarbons / Alkanes / Branched alkanes
6-Methyloctadecane	93065	Click to see CCCCCCCCCCCCC(C)CCCCC	268.50	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
1,1-Dimethyl-3-methylene-2-vinylcyclohexane	550088	Click to see CC1(CCCC(=C)C1C=C)C	150.26	unknown	via CMAUP database
1,3,3-Trimethyl-2-vinyl-1-cyclohexene	584957	Click to see CC1=C(C(CCC1)(C)C)C=C	150.26	unknown	via CMAUP database
1,5,5-Trimethyl-6-methylene-cyclohexene	578237	Click to see CC1=CCCC(C1=C)(C)C	136.23	unknown	via CMAUP database
2,5-Dimethyl-1,6-heptadiene	534896	Click to see CC(CCC(=C)C)C=C	124.22	unknown	via CMAUP database
2,5,5-Trimethyl-1,6-heptadiene	534952	Click to see CC(=C)CCC(C)(C)C=C	138.25	unknown	via CMAUP database
4,4-Dimethyl-3-(3-methylbut-3-enylidene)-2-methylenebicyclo[4.1.0]heptane	5371839	Click to see CC(=C)CC=C1C(=C)C2CC2CC1(C)C	202.33	unknown	via CMAUP database
gamma-Terpinene	7461	Click to see CC1=CCC(=CC1)C(C)C	136.23	unknown	https://doi.org/10.1271/BBB1961.50.2111 https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1016/0031-9422(88)80123-7 https://doi.org/10.1271/BBB1961.55.2571 https://doi.org/10.1021/JF9702149
Octatriene, dimethyl-	6434062	Click to see CC(C)C=CC=C(C)C=C	136.23	unknown	via CMAUP database
Santolina triene	519872	Click to see CC(=CC(C=C)C(=C)C)C	136.23	unknown	via CMAUP database
trans-Dihydroocimene	5463450	Click to see CC(C)CCC=C(C)C=C	138.25	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031
> Hydrocarbons / Unsaturated hydrocarbons / Enynes
6-Hexadecen-4-yne, (E)-	5367338	Click to see CCCCCCCCCC=CC#CCCC	220.39	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Acyclic olefins / Alkatetraenes
12-Methyl-1,5,9,11-tridecatetraene	564371	Click to see CC(=CC=CCCC=CCCC=C)C	190.32	unknown	via CMAUP database
Cosmene	5368451	Click to see CC(=C)C=CC=C(C)C=C	134.22	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031
Z,Z,Z-1,4,6,9-Nonadecatetraene	5362676	Click to see CCCCCCCCCC=CCC=CC=CCC=C	260.50	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Acyclic olefins / Alkatrienes
Z,Z,Z-4,6,9-Nonadecatriene	5362863	Click to see CCCCCCCCCC=CCC=CC=CCCC	262.50	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Unsaturated aliphatic hydrocarbons
(Z)-Hex-2-ene, 5-methyl-	5364850	Click to see CC=CCC(C)C	98.19	unknown	via CMAUP database
5-Methyl-2-hexene	5357252	Click to see CC=CCC(C)C	98.19	unknown	via CMAUP database
> Lignans, neolignans and related compounds / Cyclobutane lignans
8-[(1S,2R,3S,4R)-2,3-diacetyl-4-(7-methoxy-2-oxochromen-8-yl)cyclobutyl]-7-methoxychromen-2-one	14409177	Click to see CC(=O)C1C(C(C1C(=O)C)C2=C(C=CC3=C2OC(=O)C=C3)OC)C4=C(C=CC5=C4OC(=O)C=C5)OC	488.50	unknown	https://doi.org/10.1248/CPB.44.804
Bisosthenon B	14409176	Click to see CC(=O)C1C(C(C1C(=O)C)C2=C(C=CC3=C2OC(=O)C=C3)OC)C4=C(C=CC5=C4OC(=O)C=C5)OC	488.50	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.3987/COM-97-7757
> Lignans, neolignans and related compounds / Dibenzylbutane lignans / Dibenzylbutanediol lignans
(+)-Secoisolariciresinol	6336781	Click to see COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)CO)O	362.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
Ethyl octanoate	7799	Click to see CCCCCCCC(=O)OCC	172.26	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
Ethyl pentacosanoate	3015448	Click to see CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC	410.70	unknown	via CMAUP database
Hexyl Hexanoate	22873	Click to see CCCCCCOC(=O)CCCCC	200.32	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
Non-1-yn-5-en-9-aldehyde, 4-carbethoxy-	5368199	Click to see CCOC(=O)C(CC#C)C=CCCC=O	208.25	unknown	via CMAUP database
Propanoic acid, 3-(2,3,6-trimethyl-1,4-dioxaspiro[4.4]non-7-yl)-, methyl ester	581270	Click to see CC1C(CCC12OC(C(O2)C)C)CCC(=O)OC	256.34	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters
10-Heptadecen-8-ynoic acid, methyl ester, (E)-	5367407	Click to see CCCCCCC=CC#CCCCCCCC(=O)OC	278.40	unknown	via CMAUP database
5,8,11-Eicosatrienoic acid, methyl ester	5365637	Click to see CCCCCCCCC=CCC=CCC=CCCCC(=O)OC	320.50	unknown	via CMAUP database
6,9,12,15-Docosatetraenoic acid, methyl ester	5362672	Click to see CCCCCCC=CCC=CCC=CCC=CCCCCC(=O)OC	346.50	unknown	via CMAUP database
cis-8,11,14-Eicosatrienoic acid methyl ester	5363092	Click to see CCCCCC=CCC=CCC=CCCCCCCC(=O)OC	320.50	unknown	via CMAUP database
Methyl 4,7,10-hexadecatrienoate	5365638	Click to see CCCCCC=CCC=CCC=CCCC(=O)OC	264.40	unknown	via CMAUP database
Methyl docosa-6,9,12,15-tetraenoate	534460	Click to see CCCCCCC=CCC=CCC=CCC=CCCCCC(=O)OC	346.50	unknown	via CMAUP database
Methyl icosa-5,8,11-trienoate	549000	Click to see CCCCCCCCC=CCC=CCC=CCCCC(=O)OC	320.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
5,8,11,14-Eicosatetraynoic acid	1780	Click to see CCCCCC#CCC#CCC#CCC#CCCCC(=O)O	296.40	unknown	via CMAUP database
5,8,11,14,17-cis-Eicosapentaenoic acid	70198906	Click to see CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O	302.50	unknown	via CMAUP database
9-Hexadecenoic acid	5282745	Click to see CCCCCCC=CCCCCCCCC(=O)O	254.41	unknown	via CMAUP database
Arachidic Acid	10467	Click to see CCCCCCCCCCCCCCCCCCCC(=O)O	312.50	unknown	via CMAUP database
Cyclopentaneundecanoic acid	534549	Click to see C1CCC(C1)CCCCCCCCCCC(=O)O	254.41	unknown	via CMAUP database
Eicosa-5,8,11,14,17-pentaenoic acid	3209	Click to see CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O	302.50	unknown	via CMAUP database
Icosapent	446284	Click to see CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O	302.50	unknown	via CMAUP database
Myristic Acid	11005	Click to see CCCCCCCCCCCCCC(=O)O	228.37	unknown	via CMAUP database
Oleic Acid	445639	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	282.50	unknown	via CMAUP database
Palmitic Acid	985	Click to see CCCCCCCCCCCCCCCC(=O)O	256.42	unknown	via CMAUP database
Palmitoleic Acid	445638	Click to see CCCCCCC=CCCCCCCCC(=O)O	254.41	unknown	via CMAUP database
Sodium icosa-5,8,11,14,17-pentaenoate	44134688	Click to see CCC=CCC=CCC=CCC=CCC=CCCCC(=O)[O-].[Na+]	324.40	unknown	via CMAUP database
Stearic Acid	5281	Click to see CCCCCCCCCCCCCCCCCC(=O)O	284.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
Capric Acid	2969	Click to see CCCCCCCCCC(=O)O	172.26	unknown	via CMAUP database
Lauric Acid	3893	Click to see CCCCCCCCCCCC(=O)O	200.32	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids
Docosahexaenoic Acid	445580	Click to see CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O	328.50	unknown	via CMAUP database
Hexacosanoic acid	10469	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O	396.70	unknown	via CMAUP database
Tetratriacontanoic acid	94485	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O	508.90	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
alpha-(beta-D-Glucopyranosyloxy)-trans-cinnamic acid	53385591	Click to see C1=CC=C(C=C1)C=C(C(=O)O)OC2C(C(C(C(O2)CO)O)O)O	326.30	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters
(R)-3,7-Dimethyloct-6-enyl butyrate	23616651	Click to see CCCC(=O)OCCC(C)CCC=C(C)C	226.35	unknown	via CMAUP database
10-Methyl-E-11-tridecen-1-ol propionate	5365029	Click to see CCC(=O)OCCCCCCCCCC(C)C=CC	268.40	unknown	via CMAUP database
3,7-Dimethylocta-2,6-dienyl 3-methylbutanoate	19802	Click to see CC(C)CC(=O)OCC=C(C)CCC=C(C)C	238.37	unknown	via CMAUP database
3,7-Dimethylocta-2,6-dienyl acetate	7780	Click to see CC(=CCCC(=CCOC(=O)C)C)C	196.29	unknown	https://doi.org/10.1139/APNM-2016-0515
6-Octen-1-ol, 3,7-dimethyl-, acetate, (3S)-	6999975	Click to see CC(CCC=C(C)C)CCOC(=O)C	198.30	unknown	via CMAUP database
Citronellol acetate, (R)-	6708682	Click to see CC(CCC=C(C)C)CCOC(=O)C	198.30	unknown	via CMAUP database
Citronellyl acetate	9017	Click to see CC(CCC=C(C)C)CCOC(=O)C	198.30	unknown	https://doi.org/10.1080/10412905.1995.9698535
Citronellyl butyrate	8835	Click to see CCCC(=O)OCCC(C)CCC=C(C)C	226.35	unknown	via CMAUP database
Decyl acetate	8167	Click to see CCCCCCCCCCOC(=O)C	200.32	unknown	via CMAUP database
Geranyl acetate	1549026	Click to see CC(=CCCC(=CCOC(=O)C)C)C	196.29	unknown	https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1139/APNM-2016-0515 https://doi.org/10.1271/BBB1961.55.2571 https://doi.org/10.1271/BBB1961.50.2111
Geranyl formate	5282109	Click to see CC(=CCCC(=CCOC=O)C)C	182.26	unknown	https://doi.org/10.1271/BBB1961.50.2111
Geranyl isovalerate	5362830	Click to see CC(C)CC(=O)OCC=C(C)CCC=C(C)C	238.37	unknown	via CMAUP database
Neryl acetate	1549025	Click to see CC(=CCCC(=CCOC(=O)C)C)C	196.29	unknown	https://doi.org/10.1271/BBB1961.50.2111 https://doi.org/10.1080/10412905.1995.9698535
Neryl formate	5354882	Click to see CC(=CCCC(=CCOC=O)C)C	182.26	unknown	https://doi.org/10.1271/BBB1961.50.2111
Neryl isovalerate	6429039	Click to see CC(C)CC(=O)OCC=C(C)CCC=C(C)C	238.37	unknown	via CMAUP database
Nonyl Acetate	8918	Click to see CCCCCCCCCOC(=O)C	186.29	unknown	https://doi.org/10.1271/BBB1961.55.2571
Octyl Acetate	8164	Click to see CCCCCCCCOC(=O)C	172.26	unknown	https://doi.org/10.1080/10412905.1995.9698535
Undecyl acetate	15605	Click to see CCCCCCCCCCCOC(=O)C	214.34	unknown	via CMAUP database
Z-10-Methyl-11-tetradecen-1-ol propionate	5365070	Click to see CCC=CC(C)CCCCCCCCCOC(=O)CC	282.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
(3S)-3-methylhexan-1-ol	11228780	Click to see CCCC(C)CCO	116.20	unknown	via CMAUP database
(R)-3-Methyl-1-hexanol	13317754	Click to see CCCC(C)CCO	116.20	unknown	via CMAUP database
(S)-3-Decyn-2-ol	101604284	Click to see CCCCCCC#CC(C)O	154.25	unknown	via CMAUP database
1-Decanol	8174	Click to see CCCCCCCCCCO	158.28	unknown	via CMAUP database
1-Heptatriacontanol	537071	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO	537.00	unknown	via CMAUP database
1-Hexanol	8103	Click to see CCCCCCO	102.17	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031
1-Octanol	957	Click to see CCCCCCCCO	130.23	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
2-Ethylhexan-1-ol	7720	Click to see CCCCC(CC)CO	130.23	unknown	via CMAUP database
2,7-Dimethyl-2,6-octadien-1-ol	5365825	Click to see CC(=CCCC=C(C)CO)C	154.25	unknown	via CMAUP database
3-Methyl-1-hexanol	25793	Click to see CCCC(C)CCO	116.20	unknown	via CMAUP database
3-Octanol	11527	Click to see CCCCCC(CC)O	130.23	unknown	via CMAUP database
6-Hepten-1-ol	543123	Click to see C=CCCCCCO	114.19	unknown	via CMAUP database
Nonan-1-ol	8914	Click to see CCCCCCCCCO	144.25	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
(3S,9E)-heptadeca-1,9-dien-4,6-diyn-3-ol	71308196	Click to see CCCCCCCC=CCC#CC#CC(C=C)O	244.37	unknown	via CMAUP database
(E,R)-Heptadeca-1,9-dien-4,6-diyne-3-ol	56935896	Click to see CCCCCCCC=CCC#CC#CC(C=C)O	244.37	unknown	via CMAUP database
13-Heptadecyn-1-ol	557439	Click to see CCCC#CCCCCCCCCCCCCO	252.40	unknown	via CMAUP database
2-Methyl-1-hexadecanol	17218	Click to see CCCCCCCCCCCCCCC(C)CO	256.50	unknown	via CMAUP database
2-Methyl-E,E-3,13-octadecadien-1-ol	5364413	Click to see CCCCC=CCCCCCCCCC=CC(C)CO	280.50	unknown	via CMAUP database
Cetyl Alcohol	2682	Click to see CCCCCCCCCCCCCCCCO	242.44	unknown	via CMAUP database
cis-(-)-Heptadeca-1,9-dien-4,6-diyn-3-ol	5353620	Click to see CCCCCCCC=CCC#CC#CC(C=C)O	244.37	unknown	via CMAUP database
Falcarinol	5281149	Click to see CCCCCCCC=CCC#CC#CC(C=C)O	244.37	unknown	via CMAUP database
Heptadeca-1,9-dien-4,6-diyn-3-ol	3322	Click to see CCCCCCCC=CCC#CC#CC(C=C)O	244.37	unknown	via CMAUP database
Panaxynol	5469789	Click to see CCCCCCCC=CCC#CC#CC(C=C)O	244.37	unknown	via CMAUP database
Stearyl Alcohol	8221	Click to see CCCCCCCCCCCCCCCCCCO	270.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty aldehydes
9-Octadecenal	5283381	Click to see CCCCCCCCC=CCCCCCCCC=O	266.50	unknown	via CMAUP database
CID 17029	17029	Click to see CCCCCCCCC=CCCCCCCCC=O	266.50	unknown	via CMAUP database
cis-9-Octadecenal	5364492	Click to see CCCCCCCCC=CCCCCCCCC=O	266.50	unknown	via CMAUP database
Tetradecanal	31291	Click to see CCCCCCCCCCCCCC=O	212.37	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
(9Z,12Z)-Ethyl octadeca-9,12-dienoate	11001	Click to see CCCCCC=CCC=CCCCCCCCC(=O)OCC	308.50	unknown	via CMAUP database
1-Monolinolenoyl-rac-glycerol	5367328	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)O	352.50	unknown	via CMAUP database
10,13-Octadecadienoic acid methyl ester	549045	Click to see CCCCC=CCC=CCCCCCCCCC(=O)OC	294.50	unknown	via CMAUP database
10,13-Octadecadienoic acid, methyl ester	5365678	Click to see CCCCC=CCC=CCCCCCCCCC(=O)OC	294.50	unknown	via CMAUP database
2,5-Octadecadienoic acid, methyl ester	5362667	Click to see CCCCCCCCCCCCC=CCC=CC(=O)OC	294.50	unknown	via CMAUP database
6,9,12-Octadecatrienoic acid, methyl ester	5362805	Click to see CCCCCC=CCC=CCC=CCCCCC(=O)OC	292.50	unknown	via CMAUP database
Ethyl Linoleate	5282184	Click to see CCCCCC=CCC=CCCCCCCCC(=O)OCC	308.50	unknown	via CMAUP database
Ethyl octadeca-9,12-dienoate	5365672	Click to see CCCCCC=CCC=CCCCCCCCC(=O)OCC	308.50	unknown	via CMAUP database
Linoleic Acid	5280450	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	via CMAUP database
Linolenic Acid	5280934	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O	278.40	unknown	via CMAUP database
methyl (12E,15E)-octadeca-12,15-dienoate	5365571	Click to see CCC=CCC=CCCCCCCCCCCC(=O)OC	294.50	unknown	via CMAUP database
Methyl gamma-linolenate	6439889	Click to see CCCCCC=CCC=CCC=CCCCCC(=O)OC	292.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Glycerolipids / Monoradylglycerols / Monoalkylglycerols
(2R)-3-(Hexadecyloxy)-1,2-propanediol	11758911	Click to see CCCCCCCCCCCCCCCCOCC(CO)O	316.50	unknown	via CMAUP database
Batilol, (R)-	10831326	Click to see CCCCCCCCCCCCCCCCCCOCC(CO)O	344.60	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
(1R,3S,7S)-7-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-3-ol	5318633	Click to see CC1(OCC(O1)C2(CCC3C(=C2)CCC4C3(CC(CC4(C)CO)O)C)C)C	378.50	unknown	via CMAUP database
(3S,4aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-3,6-diol	11392484	Click to see CC(C)C1=C(C=C2C(=C1)CCC3C2(CC(CC3(C)C)O)C)O	302.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Acyclic diterpenoids
(E)-(7R,11R)-3,7,11,15-tetramethylhexadec-2-ene-1-ol	145386	Click to see CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C	296.50	unknown	via CMAUP database
3,7,11,15-Tetramethyl-2-hexadecen-1-OL	5366244	Click to see CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C	296.50	unknown	https://doi.org/10.1271/BBB1961.50.2111
Benzoicacidcyanomethylester	5320547	Click to see CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C	296.50	unknown	via CMAUP database
cis-Phytol	6430833	Click to see CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C	296.50	unknown	via CMAUP database
Phytol	5280435	Click to see CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C	296.50	unknown	https://doi.org/10.1271/BBB1961.50.2111
Phytol [FHFI]	9018	Click to see CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C	296.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Taxanes and derivatives
[(1R,2S,5S,7S,8Z,10R,13S)-2,7,9,10,13-pentaacetyloxy-4-(acetyloxymethyl)-8,12,15,15-tetramethyl-5-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] 3-(dimethylamino)-2-hydroxy-3-phenylpropanoate	6325101	Click to see CC1=C2C(C(=C(C(CC(C(=CC(C(C2(C)C)CC1OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C(C(C3=CC=CC=C3)N(C)C)O)OC(=O)C)C)OC(=O)C)OC(=O)C	827.90	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Hopanoids
(3R,3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-4,9-diol	101281371	Click to see CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CC(C5C4(CCC5C(C)(C)O)C)O)C)C)C	460.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids
1,3,3-Trimethyltricyclo[2.2.1.02,6]heptane	79022	Click to see CC1(C2CC3C1C3(C2)C)C	136.23	unknown	https://doi.org/10.1271/BBB1961.50.2111
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
(-)-Citronellol	7793	Click to see CC(CCC=C(C)C)CCO	156.26	unknown	https://doi.org/10.1021/NP100531X
(2E)-2,6-dimethylocta-2,7-diene-1,6-diol	5280678	Click to see CC(=CCCC(C)(C=C)O)CO	170.25	unknown	via CMAUP database
(2Z)-2,6-Dimethyl-2,7-octadiene-1,6-diol	5352452	Click to see CC(=CCCC(C)(C=C)O)CO	170.25	unknown	via CMAUP database
(R)-(+)-Citronellal	75427	Click to see CC(CCC=C(C)C)CC=O	154.25	unknown	via CMAUP database
(S)-(-)-Citronellal	443157	Click to see CC(CCC=C(C)C)CC=O	154.25	unknown	via CMAUP database
(S)-lavandulol	68133	Click to see CC(=CCC(CO)C(=C)C)C	154.25	unknown	via CMAUP database
(Z)-alpha-ocimene	5463455	Click to see CC(=C)CCC=C(C)C=C	136.23	unknown	via CMAUP database
2,6-Dimethyl-2,4,6-octatriene	5368821	Click to see CC=C(C)C=CC=C(C)C	136.23	unknown	https://doi.org/10.1021/JF9702149
3,5-Heptadienal, 2-ethylidene-6-methyl-	572127	Click to see CC=C(C=CC=C(C)C)C=O	150.22	unknown	via CMAUP database
3,7-Dimethyl-2,6-octadien-1-al	8843	Click to see CC(=CCCC(=CC=O)C)C	152.23	unknown	via CMAUP database
3,7-Dimethylocta-1,3,7-triene	5320249	Click to see CC(=C)CCC=C(C)C=C	136.23	unknown	via CMAUP database
5-Hepten-1-ol, 2-ethenyl-6-methyl-	534957	Click to see CC(=CCCC(CO)C=C)C	154.25	unknown	via CMAUP database
beta-CITRONELLOL, (+/-)-	8842	Click to see CC(CCC=C(C)C)CCO	156.26	unknown	https://doi.org/10.1021/NP100531X
beta-CITRONELLOL, (R)-	101977	Click to see CC(CCC=C(C)C)CCO	156.26	unknown	via CMAUP database
beta-OCIMENE, (3E)-	5281553	Click to see CC(=CCC=C(C)C=C)C	136.23	unknown	https://doi.org/10.1080/10412905.1995.9698535 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3697287/ https://doi.org/10.1271/BBB1961.50.2111
beta-Ocimene, (3Z)-	5320250	Click to see CC(=CCC=C(C)C=C)C	136.23	unknown	https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1016/0031-9422(88)80123-7 https://doi.org/10.1271/BBB1961.50.2111
cis-2,6-Dimethyl-2,6-octadiene	5352478	Click to see CC=C(C)CCC=C(C)C	138.25	unknown	via CMAUP database
Citral	638011	Click to see CC(=CCCC(=CC=O)C)C	152.23	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031 https://doi.org/10.1016/0031-9422(88)80123-7 https://doi.org/10.1271/BBB1961.50.2111
Citronellal	7794	Click to see CC(CCC=C(C)C)CC=O	154.25	unknown	https://doi.org/10.1271/BBB1961.50.2111 https://doi.org/10.1271/BBB1961.55.2571
Geraniol	637566	Click to see CC(=CCCC(=CCO)C)C	154.25	unknown	https://doi.org/10.1271/BBB1961.50.2111 https://doi.org/10.1080/10412905.1995.9698535
Geranyl vinyl ether	5365842	Click to see CC(=CCCC(=CCOC=C)C)C	180.29	unknown	via CMAUP database
Lavandulol	5464156	Click to see CC(=CCC(CO)C(=C)C)C	154.25	unknown	via CMAUP database
Lavandulyl acetate, (+/-)-	30247	Click to see CC(=CCC(COC(=O)C)C(=C)C)C	196.29	unknown	via CMAUP database
Linalool, (-)-	443158	Click to see CC(=CCCC(C)(C=C)O)C	154.25	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031 https://doi.org/10.1021/JF950183M
Linalool, (+)-	67179	Click to see CC(=CCCC(C)(C=C)O)C	154.25	unknown	https://doi.org/10.1021/JF950183M
Linalool, (+/-)-	6549	Click to see CC(=CCCC(C)(C=C)O)C	154.25	unknown	https://doi.org/10.1271/BBB1961.50.2111 https://doi.org/10.1002/FFJ.2730040313 https://doi.org/10.1080/10412905.1990.9697813 https://doi.org/10.1021/JF950183M https://doi.org/10.1021/JF9702149 https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1016/0031-9422(88)80123-7
Linalyl acetate	8294	Click to see CC(=CCCC(C)(C=C)OC(=O)C)C	196.29	unknown	https://doi.org/10.1271/BBB1961.50.2111 https://doi.org/10.1055/S-2006-960081 https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1002/FFJ.2730040313 https://doi.org/10.1021/JF00013A016 https://doi.org/10.1080/10412905.1990.9697813
Myrcene	31253	Click to see CC(=CCCC(=C)C=C)C	136.23	unknown	https://doi.org/10.1271/BBB1961.50.2111 https://doi.org/10.1055/S-2006-960081 https://doi.org/10.1021/JF9702149 https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1016/0031-9422(88)80123-7
Neral	643779	Click to see CC(=CCCC(=CC=O)C)C	152.23	unknown	https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1016/0031-9422(88)80123-7 https://doi.org/10.1271/BBB1961.50.2111
Nerol	643820	Click to see CC(=CCCC(=CCO)C)C	154.25	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031 https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1271/BBB1961.50.2111
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
[5,9-Dimethyl-1-(3-phenyl-oxiran-2-yl)-deca-4,8-dienylidene]-(2-phenyl-aziridin-1-yl)-amine	5362950	Click to see CC(=CCCC(=CCCC(=NN1CC1C2=CC=CC=C2)C3C(O3)C4=CC=CC=C4)C)C	414.60	unknown	via CMAUP database
2-Isopropyl-5-methylanisole	14104	Click to see CC1=CC(=C(C=C1)C(C)C)OC	164.24	unknown	via CMAUP database
Carvacrol	10364	Click to see CC1=C(C=C(C=C1)C(C)C)O	150.22	unknown	via CMAUP database
Carvacryl acetate	80792	Click to see CC1=C(C=C(C=C1)C(C)C)OC(=O)C	192.25	unknown	via CMAUP database
p-CYMENE	7463	Click to see CC1=CC=C(C=C1)C(C)C	134.22	unknown	https://doi.org/10.1271/BBB1961.50.2111 https://doi.org/10.1271/BBB1961.55.2571 https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1016/0031-9422(88)80123-7
Thymol	6989	Click to see CC1=CC(=C(C=C1)C(C)C)O	150.22	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(-)-3-Carene	442461	Click to see CC1=CCC2C(C1)C2(C)C	136.23	unknown	via CMAUP database
(-)-alpha-Pinene	440968	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	via CMAUP database
(-)-alpha-Thujene	637518	Click to see CC1=CCC2(C1C2)C(C)C	136.23	unknown	via CMAUP database
(-)-beta-Pinene	440967	Click to see CC1(C2CCC(=C)C1C2)C	136.23	unknown	via CMAUP database
(-)-Camphene	440966	Click to see CC1(C2CCC(C2)C1=C)C	136.23	unknown	via CMAUP database
(-)-Camphor	444294	Click to see CC1(C2CCC1(C(=O)C2)C)C	152.23	unknown	via CMAUP database
(-)-Sabinene	11051711	Click to see CC(C)C12CCC(=C)C1C2	136.23	unknown	via CMAUP database
(+)-2-Carene	78249	Click to see CC1=CC2C(C2(C)C)CC1	136.23	unknown	via CMAUP database
(+)-3-Carene	443156	Click to see CC1=CCC2C(C1)C2(C)C	136.23	unknown	via CMAUP database
(+)-4-Carene	71351627	Click to see CC1CC2C(C2(C)C)C=C1	136.23	unknown	via CMAUP database
(+)-alpha-Pinene	82227	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	via CMAUP database
(+)-Bornyl acetate	6950274	Click to see CC(=O)OC1CC2CCC1(C2(C)C)C	196.29	unknown	via CMAUP database
(+)-Camphene	92221	Click to see CC1(C2CCC(C2)C1=C)C	136.23	unknown	via CMAUP database
(+)-trans-Sabinene hydrate	11228920	Click to see CC(C)C12CCC(C1C2)(C)O	154.25	unknown	via CMAUP database
(1R,2S,4R)-(+)-Bornyl acetate	443131	Click to see CC(=O)OC1CC2CCC1(C2(C)C)C	196.29	unknown	via CMAUP database
(1R)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene	6451618	Click to see CC1=CCC2(C1C2)C(C)C	136.23	unknown	https://doi.org/10.1055/S-2006-960081
(1S,2R,4S)-(-)-Bornyl acetate	442460	Click to see CC(=O)OC1CC2CCC1(C2(C)C)C	196.29	unknown	via CMAUP database
(1S,2R,5R)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol	11744854	Click to see CC(C)C12CCC(C1C2)(C)O	154.25	unknown	via CMAUP database
(1S,2S,3R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol	21626089	Click to see CC1(C2CCC1(C(C2O)O)C)C	170.25	unknown	via CMAUP database
(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene	12223113	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	via CMAUP database
(2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate	44630108	Click to see CC(=O)OC1CC2CCC1(C2(C)C)C	196.29	unknown	via CMAUP database
(3R)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-ol	42626428	Click to see CC(C)C12CC1C(=C)C(C2)O	152.23	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
(S)-cis-Verbenol	87839	Click to see CC1=CC(C2CC1C2(C)C)O	152.23	unknown	via CMAUP database
2,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol	524272	Click to see CC1(C2CCC1C(C2)(C)O)C	154.25	unknown	via CMAUP database
3-Carene	26049	Click to see CC1=CCC2C(C1)C2(C)C	136.23	unknown	https://doi.org/10.1021/JF950183M https://doi.org/10.1016/0031-9422(88)80123-7 https://doi.org/10.1002/FFJ.2730080106 https://doi.org/10.1271/BBB1961.50.2111
4-Thujanol	6326181	Click to see CC(C)C12CCC(C1C2)(C)O	154.25	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031
4,6,6-Trimethyl-3-[2,6,6-trimethyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)-3-bicyclo[3.1.1]hept-1-enyl]bicyclo[3.1.1]hept-4-en-2-ol	56924154	Click to see CC1=C2CC(C2(C)C)CC1C3(CC4CC(=C3C)C4(C)C)C5C(C6CC(=C5C)C6(C)C)O	420.70	unknown	https://doi.org/10.1271/BBB1961.50.2111
4,7,7-Trimethylbicyclo[4.1.0]hept-2-ene	530422	Click to see CC1CC2C(C2(C)C)C=C1	136.23	unknown	via CMAUP database
alpha-Bergamotene	86608	Click to see CC1=CCC2CC1C2(C)CCC=C(C)C	204.35	unknown	https://doi.org/10.1021/NP50087A030 https://doi.org/10.1080/10412905.1995.9698535
alpha-PINENE	6654	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	https://doi.org/10.1271/BBB1961.50.2111 https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031 https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1016/0031-9422(88)80123-7
alpha-THUJENE, (+/-)-	12444324	Click to see CC1=CCC2(C1C2)C(C)C	136.23	unknown	via CMAUP database
beta-Pinene	14896	Click to see CC1(C2CCC(=C)C1C2)C	136.23	unknown	https://doi.org/10.1271/BBB1961.50.2111 https://doi.org/10.1080/10412905.1995.9698535
beta-Thujene	520384	Click to see CC1C=CC2(C1C2)C(C)C	136.23	unknown	https://doi.org/10.1111/J.1750-3841.2011.02511.X
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, exo-	439569	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	via CMAUP database
Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)-	17868	Click to see CC1=CCC2(C1C2)C(C)C	136.23	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031 https://doi.org/10.1055/S-2006-960081
Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-, [1S-(1alpha,2beta,5alpha)]-	2734021	Click to see CC1=CC(C2CC1C2(C)C)O	152.23	unknown	via CMAUP database
Borneol, (-)-	1201518	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	via CMAUP database
Bornyl acetate	6448	Click to see CC(=O)OC1CC2CCC1(C2(C)C)C	196.29	unknown	via CMAUP database
Bornyl acetate, (-)-	93009	Click to see CC(=O)OC1CC2CCC1(C2(C)C)C	196.29	unknown	via CMAUP database
Camphene	6616	Click to see CC1(C2CCC(C2)C1=C)C	136.23	unknown	https://doi.org/10.1271/BBB1961.55.2571 https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1002/FFJ.2730080106
Camphor	2537	Click to see CC1(C2CCC1(C(=O)C2)C)C	152.23	unknown	via CMAUP database
Camphor (synthetic)	159055	Click to see CC1(C2CCC1(C(=O)C2)C)C	152.23	unknown	via CMAUP database
Camphor, (1S,4S)-(-)-	10050	Click to see CC1(C2CCC1(C(=O)C2)C)C	152.23	unknown	via CMAUP database
cis-Verbenol	164888	Click to see CC1=CC(C2CC1C2(C)C)O	152.23	unknown	via CMAUP database
d-2-Bornanone	9543187	Click to see CC1(C2CCC1(C(=O)C2)C)C	152.23	unknown	via CMAUP database
d-Camphor	230921	Click to see CC1(C2CCC1(C(=O)C2)C)C	152.23	unknown	via CMAUP database
DL-2-Bornanol	10049	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	via CMAUP database
Fenchyl acetate	107217	Click to see CC(=O)OC1C(C2CCC1(C2)C)(C)C	196.29	unknown	https://doi.org/10.1111/J.1750-3841.2011.02511.X
Sabinen	18818	Click to see CC(C)C12CCC(=C)C1C2	136.23	unknown	https://doi.org/10.1271/BBB1961.50.2111 https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1016/0031-9422(88)80123-7 https://doi.org/10.1271/BBB1961.55.2571
Sabinene	10887971	Click to see CC(C)C12CCC(=C)C1C2	136.23	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031
Sabinene hydrate	62367	Click to see CC(C)C12CCC(C1C2)(C)O	154.25	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031
Verbenol	61126	Click to see CC1=CC(C2CC1C2(C)C)O	152.23	unknown	via CMAUP database
Verbenone	29025	Click to see CC1=CC(=O)C2CC1C2(C)C	150.22	unknown	via CMAUP database
Verbenone, (+)-	65724	Click to see CC1=CC(=O)C2CC1C2(C)C	150.22	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
(-)-alpha-Terpineol	443162	Click to see CC1=CCC(CC1)C(C)(C)O	154.25	unknown	via CMAUP database
(-)-beta-Phellandrene	443161	Click to see CC(C)C1CCC(=C)C=C1	136.23	unknown	via CMAUP database
(-)-cis-Carveol	330573	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	via CMAUP database
(-)-Terpinen-4-ol	5325830	Click to see CC1=CCC(CC1)(C(C)C)O	154.25	unknown	via CMAUP database
(-)-trans-Carveol	94221	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	via CMAUP database
(+)-alpha-Phellandrene	443160	Click to see CC1=CCC(C=C1)C(C)C	136.23	unknown	via CMAUP database
(+)-alpha-Terpineol	442501	Click to see CC1=CCC(CC1)C(C)(C)O	154.25	unknown	via CMAUP database
(+)-cis-Carveol	443177	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	via CMAUP database
(+)-Perillaldehyde	1548901	Click to see CC(=C)C1CCC(=CC1)C=O	150.22	unknown	via CMAUP database
(+)-Terpinen-4-ol	2724161	Click to see CC1=CCC(CC1)(C(C)C)O	154.25	unknown	via CMAUP database
(+)-trans-Carveol	443178	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	via CMAUP database
(1r,4r)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol	111274	Click to see CC(=C)C1CCC(C=C1)(C)O	152.23	unknown	via CMAUP database
(1S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-enol	11105550	Click to see CC(=C)C1CCC(C=C1)(C)O	152.23	unknown	via CMAUP database
(2S,4R)-p-Mentha-1(7),8-dien-2-ol	527427	Click to see CC(=C)C1CCC(=C)C(C1)O	152.23	unknown	via CMAUP database
(5R)-5-isopropyl-2-methyl-2-cyclohexen-1-one	10888107	Click to see CC1=CCC(CC1=O)C(C)C	152.23	unknown	via CMAUP database
(R)-(+)-4-Isopropylcyclohex-1-ene-1-carboxaldehyde	12305140	Click to see CC(C)C1CCC(=CC1)C=O	152.23	unknown	via CMAUP database
(R)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol	44152305	Click to see CC1=CCC(CC1)C(C)(C)S	170.32	unknown	https://doi.org/10.1002/HLCA.19820650614
(Z)-p-Menth-2-en-1-ol	13918681	Click to see CC(C)C1CCC(C=C1)(C)O	154.25	unknown	via CMAUP database
1-p-Menthene-8-thiol	6427135	Click to see CC1=CCC(CC1)C(C)(C)S	170.32	unknown	https://doi.org/10.1002/HLCA.19820650614 https://doi.org/10.1002/HLCA.19830660507
2-[(1R)-4-methylcyclohex-3-en-1-yl]prop-2-enyl acetate	11333027	Click to see CC1=CCC(CC1)C(=C)COC(=O)C	194.27	unknown	via CMAUP database
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans-	12618691	Click to see CC(=C)C1CCC(C=C1)(C)O	152.23	unknown	via CMAUP database
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, cis-	526657	Click to see CC(C)C1CCC(C=C1)(C)O	154.25	unknown	via CMAUP database
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, trans-	122484	Click to see CC(C)C1CCC(C=C1)(C)O	154.25	unknown	via CMAUP database
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R-trans)-	6951358	Click to see CC1=CCC(CC1OC(=O)C)C(=C)C	194.27	unknown	via CMAUP database
4-Terpineol, (+/-)-	11230	Click to see CC1=CCC(CC1)(C(C)C)O	154.25	unknown	via CMAUP database
6-Isopropenyl-3-methyl-1-cyclohexen-1-ol	91700416	Click to see CC1CCC(C(=C1)O)C(=C)C	152.23	unknown	via CMAUP database
alpha-PHELLANDRENE	7460	Click to see CC1=CCC(C=C1)C(C)C	136.23	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
alpha-PHELLANDRENE, (-)-	442482	Click to see CC1=CCC(C=C1)C(C)C	136.23	unknown	via CMAUP database
alpha-Terpinene	7462	Click to see CC1=CC=C(CC1)C(C)C	136.23	unknown	https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1021/JF950183M https://doi.org/10.1271/BBB1961.55.2571
Alpha-Terpineol	17100	Click to see CC1=CCC(CC1)C(C)(C)O	154.25	unknown	https://doi.org/10.1271/BBB1961.50.2111 https://doi.org/10.1021/JF9702149 https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1016/0031-9422(88)80123-7
Beta-Phellandrene	11142	Click to see CC(C)C1CCC(=C)C=C1	136.23	unknown	https://doi.org/10.1271/BBB1961.50.2111 https://doi.org/10.1080/10412905.1995.9698535
beta-Terpineol	8748	Click to see CC(=C)C1CCC(CC1)(C)O	154.25	unknown	via CMAUP database
Carveol	7438	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
Carveol, (-)-	11084068	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	via CMAUP database
Carvone, (-)-	439570	Click to see CC1=CCC(CC1=O)C(=C)C	150.22	unknown	via CMAUP database
Carvone, (+)-	16724	Click to see CC1=CCC(CC1=O)C(=C)C	150.22	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
Carvone, (+/-)-	7439	Click to see CC1=CCC(CC1=O)C(=C)C	150.22	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
cis-4-(Isopropyl)-1-methylcyclohex-2-en-1-ol	122485	Click to see CC(C)C1CCC(C=C1)(C)O	154.25	unknown	via CMAUP database
cis-p-Mentha-1(7),8-dien-2-ol	6429040	Click to see CC(=C)C1CCC(=C)C(C1)O	152.23	unknown	via CMAUP database
Delta-Terpineol	81722	Click to see CC(C)(C1CCC(=C)CC1)O	154.25	unknown	via CMAUP database
Limonen-6-ol, pivalate	545235	Click to see CC1=CCC(CC1OC(=O)C(C)(C)C)C(=C)C	236.35	unknown	via CMAUP database
Limonene, (-)-	439250	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	via CMAUP database
Limonene, (+)-	440917	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	https://doi.org/10.1248/BPB.25.1629
Limonene, (+/-)-	22311	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	https://doi.org/10.1021/JF60196A027 https://doi.org/10.1271/BBB1961.50.2111 https://doi.org/10.1002/FFJ.2730040313 https://doi.org/10.1080/10412905.2000.9712187 https://doi.org/10.1080/10412905.1990.9697813 https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031 https://doi.org/10.1080/10412905.1999.9701076 https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1016/0031-9422(88)80123-7
P-Menth-1-en-9-al	520440	Click to see CC1=CCC(CC1)C(C)C=O	152.23	unknown	via CMAUP database
p-Menth-6-en-2-ol, (2S,4S)-(+)-	534485	Click to see CC1=CCC(CC1O)C(C)C	154.25	unknown	via CMAUP database
p-Mentha-1,3,8-triene	176983	Click to see CC1=CC=C(CC1)C(=C)C	134.22	unknown	via CMAUP database
p-Mentha-1(7),8(10)-dien-9-ol	34627	Click to see C=C1CCC(CC1)C(=C)CO	152.23	unknown	via CMAUP database
P-Mentha-2,8-dien-1-ol	155626	Click to see CC(=C)C1CCC(C=C1)(C)O	152.23	unknown	via CMAUP database
Perilla alcohol	369312	Click to see CC(=C)C1CCC(=CC1)CO	152.23	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
Perillaldehyde	16441	Click to see CC(=C)C1CCC(=CC1)C=O	150.22	unknown	via CMAUP database
Perillaldehyde, (-)-	2724159	Click to see CC(=C)C1CCC(=CC1)C=O	150.22	unknown	via CMAUP database
Perillyl acetate	61780	Click to see CC(=C)C1CCC(=CC1)COC(=O)C	194.27	unknown	via CMAUP database
Perillyl alcohol	10819	Click to see CC(=C)C1CCC(=CC1)CO	152.23	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
Piperitone	6987	Click to see CC1=CC(=O)C(CC1)C(C)C	152.23	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
Terpinolene	11463	Click to see CC1=CCC(=C(C)C)CC1	136.23	unknown	https://doi.org/10.1271/BBB1961.50.2111 https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1002/FFJ.2730080106 https://doi.org/10.1016/0031-9422(88)80123-7 https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031
trans-1(7),8-p-Menthadien-2-ol	6428442	Click to see CC(=C)C1CCC(=C)C(C1)O	152.23	unknown	via CMAUP database
trans-p-Mentha-2,8-dienol	91753981	Click to see CC1CCC(C(=C1)O)C(=C)C	152.23	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Monocyclic monoterpenoids
1-Methylidene-2-prop-1-en-2-ylcyclohexane	91087044	Click to see CC(=C)C1CCCCC1=C	136.23	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
5-Isopropenyl-2-methylcyclopent-1-enecarboxaldehyde	572089	Click to see CC1=C(C(CC1)C(=C)C)C=O	150.22	unknown	via CMAUP database
Cyclohexane, 1-methyl-3-(1-methylethyl)-	27938	Click to see CC1CCCC(C1)C(C)C	140.27	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin E compounds / Tocopherols
Alpha-Tocopherol	14985	Click to see CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C	430.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Retinoids
2-[4-Methyl-6-(2,6,6-trimethylcyclohex-1-enyl)hexa-1,3,5-trienyl]cyclohex-1-en-1-carboxaldehyde	5363101	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC2=C(CCCC2)C=O)C	324.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(-)-alpha-Copaene	442355	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	via CMAUP database
(+)-alpha-Muurolene	12306049	Click to see CC1=CC2C(CC1)C(=CCC2C(C)C)C	204.35	unknown	via CMAUP database
(+)-beta-Caryophyllene	20831623	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	via CMAUP database
(+)-delta-Cadinene	441005	Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C	204.35	unknown	https://doi.org/10.1271/BBB1961.50.2111 https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1016/0031-9422(88)80123-7
(+)-Eudesma-5,7(11)-diene	6428860	Click to see CC1CCCC2(C1=CC(=C(C)C)CC2)C	204.35	unknown	https://doi.org/10.1271/BBB1961.50.2111
(1E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene	134687947	Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C	204.35	unknown	https://doi.org/10.1271/BBB1961.55.2571
(1R,2S,7S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene	92042749	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	https://doi.org/10.1021/JF9702149
(1R,4aR,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene	6432308	Click to see CC1=CC2C(CC1)C(=C)CCC2C(C)C	204.35	unknown	via CMAUP database
(1S,2R,4S)-1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexane-1,2,4-triol	10967106	Click to see CC(CCC=C(C)C)C1(CCC(C(C1)O)(C)O)O	256.38	unknown	via CMAUP database
(1S,2R,5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexan-2-ol	100930864	Click to see CC(CCC=C(C)C)C12CCC(C1C2)(C)O	222.37	unknown	via CMAUP database
(1S,4R,5R,7R)-4,11,11-trimethyl-10-methylidenetricyclo[5.3.1.01,5]undecane	139587800	Click to see CC1CCC23C1CC(C2(C)C)CCC3=C	204.35	unknown	https://doi.org/10.1271/BBB1961.50.2111
(1S,5R,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene	134779875	Click to see CC1CCC(C2C13C2C(=CC3)C)C(C)C	204.35	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
(2R,5S)-2-methyl-5-(6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexan-2-ol	6428435	Click to see CC(CCC=C(C)C)C12CCC(C1C2)(C)O	222.37	unknown	via CMAUP database
(2R)-6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol	6506009	Click to see CC1=CCC(CC1)C(C)(CCC=C(C)C)O	222.37	unknown	https://doi.org/10.1002/HLCA.19860690321
(2Z,6E)-Farnesyl acetate	1551480	Click to see CC(=CCCC(=CCCC(=CCOC(=O)C)C)C)C	264.40	unknown	via CMAUP database
(3R,6E)-nerolidol	11241545	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	https://doi.org/10.1271/BBB1961.55.2571
(3S,6E)-Nerolidol	5281525	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031
(4Z,8Z)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid	6440238	Click to see CC(=CCCC(=CCCC(=CCCC(=O)O)C)C)C	264.40	unknown	via CMAUP database
(4Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene	5322111	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	via CMAUP database
(5S)-4,11,11-trimethyl-10-methylidenetricyclo[5.3.1.01,5]undecane	5320422	Click to see CC1CCC23C1CC(C2(C)C)CCC3=C	204.35	unknown	https://doi.org/10.1271/BBB1961.50.2111
(6S,10R)-2,6,10-trimethyldodecane	92173560	Click to see CCC(C)CCCC(C)CCCC(C)C	212.41	unknown	via CMAUP database
(E,Z)-farnesol	1549109	Click to see CC(=CCCC(=CCCC(=CCO)C)C)C	222.37	unknown	https://doi.org/10.1080/10412905.1990.9697813
(E)-beta-farnesene	10407	Click to see CC(=CCCC(=CCCC(=C)C=C)C)C	204.35	unknown	via CMAUP database
(R)-beta-bisabolene	68128	Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C	204.35	unknown	https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1021/NP50087A030
(Z,E)-alpha-Farnesene	5362889	Click to see CC(=CCCC(=CCC=C(C)C=C)C)C	204.35	unknown	via CMAUP database
(Z,Z)-alpha-Farnesene	5317320	Click to see CC(=CCCC(=CCC=C(C)C=C)C)C	204.35	unknown	via CMAUP database
(Z)-caryophyllene	6429301	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	via CMAUP database
1-Methyl-4-(1-methylethylidene)-2-(1-methylvinyl)-1-vinylcyclohexane	94254	Click to see CC(=C1CCC(C(C1)C(=C)C)(C)C=C)C	204.35	unknown	via CMAUP database
1,2,4a,5,6,8a-Hexahydro-1-isopropyl-4,7-dimethylnaphthalene	101708	Click to see CC1=CC2C(CC1)C(=CCC2C(C)C)C	204.35	unknown	https://doi.org/10.1271/BBB1961.55.2571
1,3-Dimethyl-8-(1-methylethyl)-tricyclo[4.4.0.02,7]dec-3-ene	25245021	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	via CMAUP database
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, formate, (3S)-	6436889	Click to see CC(=CCCC(=CCCC(C)(C=C)OC=O)C)C	250.38	unknown	via CMAUP database
2-Isopropenyl-1-methyl-4-(1-methylethylidene)-1-vinylcyclohexane	6432312	Click to see CC(=C1CCC(C(C1)C(=C)C)(C)C=C)C	204.35	unknown	via CMAUP database
2,6,10-Trimethyldodeca-2,6,9,11-tetraenal	21064	Click to see CC(=CCC=C(C)C=C)CCC=C(C)C=O	218.33	unknown	via CMAUP database
2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-4,8a-dimethyl-6-(1-methylethylidene)-, (4aR-cis)-	163030009	Click to see CC1=CC(=O)CC2(C1CC(=C(C)C)CC2)C	218.33	unknown	https://doi.org/10.1002/HLCA.19830660507
3-Cyclohexen-1-ol, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-	27208	Click to see CC1=CCC(CC1)(C(C)CCC=C(C)C)O	222.37	unknown	https://doi.org/10.1002/HLCA.19860690321
3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate	638500	Click to see CC(=CCCC(=CCCC(=CCOC(=O)C)C)C)C	264.40	unknown	via CMAUP database
3,7,11-Trimethyldodeca-2,6,10-trienyl acetate	94403	Click to see CC(=CCCC(=CCCC(=CCOC(=O)C)C)C)C	264.40	unknown	https://doi.org/10.1271/BBB1961.50.2111
4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenol	519662	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	via CMAUP database
4,11,11-Trimethyl-8-methylene-5-oxatricyclo(8.2.0.0(4,6))dodecane, (1R,4R,6R,10S)-	6604672	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	via CMAUP database
6-Epi-beta-bisabolol	12300148	Click to see CC1=CCC(CC1)(C(C)CCC=C(C)C)O	222.37	unknown	https://doi.org/10.1002/HLCA.19860690321
alpha-Bisabolol	10586	Click to see CC1=CCC(CC1)C(C)(CCC=C(C)C)O	222.37	unknown	https://doi.org/10.1002/HLCA.19860690321
alpha-Cadinol #1	6431302	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	via CMAUP database
alpha-Copaene	70678558	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	via CMAUP database
alpha-Cubebene	442359	Click to see CC1CCC(C2C13C2C(=CC3)C)C(C)C	204.35	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
Alpha-Farnesene	5281516	Click to see CC(=CCCC(=CCC=C(C)C=C)C)C	204.35	unknown	via CMAUP database
alpha-Guaiene	5317844	Click to see CC1CCC(CC2=C1CCC2C)C(=C)C	204.35	unknown	via CMAUP database
alpha-Ionol	5363817	Click to see CC1=CCCC(C1C=CC(C)O)(C)C	194.31	unknown	via CMAUP database
alpha-Muurolene	12306047	Click to see CC1=CC2C(CC1)C(=CCC2C(C)C)C	204.35	unknown	https://doi.org/10.1271/BBB1961.55.2571
alpha-Sinensal	5281534	Click to see CC(=CCC=C(C)C=C)CCC=C(C)C=O	218.33	unknown	via CMAUP database
Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1S,4S,7R)-	107152	Click to see CC1CCC(CC2=C1CCC2C)C(=C)C	204.35	unknown	via CMAUP database
beta Farnesene	15228937	Click to see CCC(=C)CCC=C(C)CCC=C(C)C	206.37	unknown	https://doi.org/10.1016/0031-9422(88)80123-7 https://doi.org/10.1271/BBB1961.50.2111
Beta-Bisabolene	10104370	Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C	204.35	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031 https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1021/NP50087A030
beta-CARYOPHYLLENE OXIDE	1742210	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	via CMAUP database
beta-Copaene	57339298	Click to see CC(C)C1CCC2(C3C1C2C(=C)CC3)C	204.35	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
beta-Cubebene	93081	Click to see CC1CCC(C2C13C2C(=C)CC3)C(C)C	204.35	unknown	https://doi.org/10.1271/BBB1961.55.2571
beta-Farnesene	5281517	Click to see CC(=CCCC(=CCCC(=C)C=C)C)C	204.35	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031 https://doi.org/10.1080/10412905.1995.9698535
beta-Farnesene, (6Z)-	5317319	Click to see CC(=CCCC(=CCCC(=C)C=C)C)C	204.35	unknown	via CMAUP database
beta-Guaiene	15560252	Click to see CC1CCC(=C(C)C)CC2=C1CCC2C	204.35	unknown	via CMAUP database
beta-Sinensal	5281535	Click to see CC(=CCCC(=C)C=C)CCC=C(C)C=O	218.33	unknown	via CMAUP database
Cadina-1(10),4-diene	10223	Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C	204.35	unknown	https://doi.org/10.1271/BBB1961.50.2111 https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1016/0031-9422(88)80123-7 https://doi.org/10.1271/BBB1961.55.2571
Caryophyllene	5281515	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	https://doi.org/10.1021/JF60196A027 https://doi.org/10.1271/BBB1961.50.2111 https://doi.org/10.1021/NP50087A030 https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031 https://doi.org/10.1021/JF9702149 https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1016/0031-9422(88)80123-7
Caryophyllene epoxide	14350	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	via CMAUP database
Caryophyllene oxide 2	13240188	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	via CMAUP database
Caryophyllene,alpha + beta mixt.	5354499	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	https://doi.org/10.1021/JF60196A027 https://doi.org/10.1016/0031-9422(88)80123-7
CID 16396350	16396350	Click to see CC1(CCCC2(C3C1C(C2=C)CC3)C)C	204.35	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
cis-Nerolidol	5320128	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	via CMAUP database
Copaene	19725	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	https://doi.org/10.1271/BBB1961.55.2571 https://doi.org/10.1021/JF9702149
Copaene	12303902	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	via CMAUP database
Copaene, (+)-	636457	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	via CMAUP database
Cubenol	11770062	Click to see CC1CCC(C2C1(CCC(=C2)C)O)C(C)C	222.37	unknown	via CMAUP database
Cuparene	86895	Click to see CC1=CC=C(C=C1)C2(CCCC2(C)C)C	202.33	unknown	via CMAUP database
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-	89316	Click to see CC(C)C1=CC(C(CC1)(C)C=C)C(=C)C	204.35	unknown	via CMAUP database
delta-Cadinene	12306054	Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C	204.35	unknown	via CMAUP database
Delta-Guaiene	94275	Click to see CC1CCC2=C(CCC(CC12)C(=C)C)C	204.35	unknown	via CMAUP database
epi-Cubenol	519857	Click to see CC1CCC(C2C1(CCC(=C2)C)O)C(C)C	222.37	unknown	via CMAUP database
Farnesal	5280598	Click to see CC(=CCCC(=CCCC(=CC=O)C)C)C	220.35	unknown	via CMAUP database
Farnesol	3327	Click to see CC(=CCCC(=CCCC(=CCO)C)C)C	222.37	unknown	https://doi.org/10.1080/10412905.1990.9697813
Formic acid, 3,7,11-trimethyl-1,6,10-dodecatrien-3-yl ester	5363406	Click to see CC(=CCCC(=CCCC(C)(C=C)OC=O)C)C	250.38	unknown	via CMAUP database
gamma-Bisabolene, (Z)-	3033866	Click to see CC1=CCC(=C(C)CCC=C(C)C)CC1	204.35	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
gamma-Muurolene	12313020	Click to see CC1=CC2C(CC1)C(=C)CCC2C(C)C	204.35	unknown	https://doi.org/10.1080/10412905.1995.9698535
gamma-Selinene	521334	Click to see CC(=C1CCC2(CCCC(=C)C2C1)C)C	204.35	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
Guaiene	6949	Click to see CC1CCC(=C(C)C)CC2=C1CCC2C	204.35	unknown	via CMAUP database
Humulene	5281520	Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C	204.35	unknown	https://doi.org/10.1271/BBB1961.50.2111 https://doi.org/10.1271/BBB1961.55.2571 https://doi.org/10.1021/JF60196A027 https://doi.org/10.1021/JF9702149
Isocalamendiol	12302240	Click to see CC(C)C1CCC(C2C1(CC(=C)CC2)O)(C)O	238.37	unknown	via CMAUP database
Isocaryophyllene	5281522	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	via CMAUP database
Isocaryophyllene oxide	1742211	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	via CMAUP database
Longifolene	289151	Click to see CC1(CCCC2(C3C1C(C2=C)CC3)C)C	204.35	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
Naphthalene, 1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4-(1-methylethyl)-	519298	Click to see CC1CCC(C2C1=CCC(=C2)C)C(C)C	204.35	unknown	via CMAUP database
Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)-	12306059	Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C	204.35	unknown	via CMAUP database
Nerolidol	8888	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031
Santalene (minor)	6431197	Click to see CC(=CCCC1(C2CCC(C2)C1=C)C)C	204.35	unknown	via CMAUP database
tau-Muurolol	6432221	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	via CMAUP database
Tetrahydroionol	107272	Click to see CC1CCCC(C1CCC(C)O)(C)C	198.34	unknown	via CMAUP database
trans-Calamenene	6429022	Click to see CC1CCC(C2=C1C=CC(=C2)C)C(C)C	202.33	unknown	via CMAUP database
trans-Nerolidol	5284507	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3697287/
trans,trans-Farnesol	445070	Click to see CC(=CCCC(=CCCC(=CCO)C)C)C	222.37	unknown	via CMAUP database
Tricyclo(4.4.0.0(2,7))decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomer	87529	Click to see CC(C)C1CCC2(C3C1C2C(=C)CC3)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Abscisic acids and derivatives
(+)-Abscisic acid	5375200	Click to see CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C	264.32	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1056119/
(2Z,4E)-5-[(1S,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoate	91820491	Click to see CC(=CC(=O)[O-])C=CC1(C2(CC(=O)CC1(OC2)C)C)O	279.31	unknown	via CMAUP database
Abscisic acid	5280896	Click to see CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C	264.32	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
(+)-Globulol	12304982	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
(1aR,4R,4aR,7R,7aS,7bS)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol	91746597	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
(1aS,4aS,7aS,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene	91746456	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	https://doi.org/10.1271/BBB1961.50.2111
Aromadendrene	91354	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	https://doi.org/10.1271/BBB1961.50.2111
beta-Gurjunene	6450812	Click to see CC1CCC2C(C2(C)C)C3C1CCC3=C	204.35	unknown	https://doi.org/10.1021/JF9702149
Globulol	12304985	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
Globulol	101716	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
Viridiflorene	10910653	Click to see CC1CCC2=C(CCC3C(C12)C3(C)C)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Cedrane and isocedrane sesquiterpenoids
(5S,7S,8R)-6,6,8-Trimethyl-2-methylidenetricyclo[5.3.1.01,5]undecane	12302594	Click to see CC1CCC2C13CC=C(C(C3)C2(C)C)C	204.35	unknown	via CMAUP database
alpha-Cedrene	6431015	Click to see CC1CCC2C13CC=C(C(C3)C2(C)C)C	204.35	unknown	via CMAUP database
Cedrene	521207	Click to see CC1CCC2C13CC=C(C(C3)C2(C)C)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids
(-)-cis-beta-Elemene	6431151	Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C	204.35	unknown	via CMAUP database
(1R,2R,3R,6R)-3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane	101973934	Click to see CC(=C)C1C2C(C2(C)C)CCC1(C)C=C	204.35	unknown	https://doi.org/10.1271/BBB1961.50.2111
Beta-Elemene	6918391	Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C	204.35	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031 https://doi.org/10.1016/0031-9422(88)80123-7 https://doi.org/10.1271/BBB1961.50.2111
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-	9859094	Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C	204.35	unknown	via CMAUP database
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-rel-	10583	Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C	204.35	unknown	via CMAUP database
Elemol	92138	Click to see CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O	222.37	unknown	https://doi.org/10.1271/BBB1961.55.2571
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
(4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-1,3,4,5,6,7-hexahydronaphthalen-2-one	163193857	Click to see CC1CC(=O)CC2=CCC(CC12C)C(=C)C	218.33	unknown	https://doi.org/10.1002/HLCA.19830660507
(4R,4aS,8aS)-4,4a-dimethyl-6-propan-2-ylidene-3,4,5,7,8,8a-hexahydro-1H-naphthalen-2-one	162911219	Click to see CC1CC(=O)CC2C1(CC(=C(C)C)CC2)C	220.35	unknown	https://doi.org/10.1002/HLCA.19830660507
(4R,4aS)-4,4a-dimethyl-6-propan-2-ylidene-4,5-dihydro-3H-naphthalen-2-one	163185782	Click to see CC1CC(=O)C=C2C1(CC(=C(C)C)C=C2)C	216.32	unknown	https://doi.org/10.1002/HLCA.19830660507
1,10-Dihydro nootkatone	6427078	Click to see CC1CC(=O)CC2C1(CC(CC2)C(=C)C)C	220.35	unknown	https://doi.org/10.1002/HLCA.19830660507
4,4a-Dimethyl-6-(propan-2-ylidene)-4,4a,5,6,7,8-hexahydronaphthalen-2(3h)-one	85904	Click to see CC1CC(=O)C=C2C1(CC(=C(C)C)CC2)C	218.33	unknown	https://doi.org/10.1002/HLCA.19830660507
4,4a-Dimethyl-6-prop-1-en-2-yl-1,3,4,5,6,7-hexahydronaphthalen-2-one	162935934	Click to see CC1CC(=O)CC2=CCC(CC12C)C(=C)C	218.33	unknown	https://doi.org/10.1002/HLCA.19830660507
4,4a-Dimethyl-6-prop-1-en-2-yl-3,4,5,6-tetrahydronaphthalen-2-one	70523658	Click to see CC1CC(=O)C=C2C1(CC(C=C2)C(=C)C)C	216.32	unknown	https://doi.org/10.1002/HLCA.19830660507
4,4a-dimethyl-6-propan-2-ylidene-3,4,5,7,8,8a-hexahydro-1H-naphthalen-2-one	162911218	Click to see CC1CC(=O)CC2C1(CC(=C(C)C)CC2)C	220.35	unknown	https://doi.org/10.1002/HLCA.19830660507
4,4a-dimethyl-6-propan-2-ylidene-4,5-dihydro-3H-naphthalen-2-one	162990447	Click to see CC1CC(=O)C=C2C1(CC(=C(C)C)C=C2)C	216.32	unknown	https://doi.org/10.1002/HLCA.19830660507
4,5-di-epi-Aristolochene	6429376	Click to see CC1CCCC2=CCC(CC12C)C(=C)C	204.35	unknown	via CMAUP database
4a,5-Dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene	288227	Click to see CC1CCC=C2C1(CC(CC2)C(=C)C)C	204.35	unknown	https://doi.org/10.1271/BBB1961.55.2571 https://doi.org/10.1007/BF00232613 https://doi.org/10.1016/0031-9422(88)80123-7
6-(1,2-Dihydroxypropan-2-yl)-4,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one	15601437	Click to see CC1CC(=O)C=C2C1(CC(CC2)C(C)(CO)O)C	252.35	unknown	https://doi.org/10.1016/0031-9422(88)83100-5
alpha-Vetivone	442405	Click to see CC1CC(=O)C=C2C1(CC(=C(C)C)CC2)C	218.33	unknown	https://doi.org/10.1002/HLCA.19830660507
Dehydronootkatone	71586808	Click to see CC1CC(=O)C=C2C1(CC(C=C2)C(=C)C)C	216.32	unknown	https://doi.org/10.1002/HLCA.19830660507
Dihydronootkatone	71587038	Click to see CC1CC(=O)CC2C1(CC(CC2)C(=C)C)C	220.35	unknown	https://doi.org/10.1002/HLCA.19830660507
Nookatone	20797	Click to see CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C	218.33	unknown	https://doi.org/10.1021/JF9702149 https://doi.org/10.1080/10412905.1990.9697813 https://doi.org/10.1055/S-2006-958077 https://doi.org/10.1021/JF00034A007 https://doi.org/10.1021/JF60196A027 https://doi.org/10.1007/BF00232613 https://doi.org/10.1080/10575630108041281 https://doi.org/10.1002/FFJ.2730040313 https://doi.org/10.1006/ABBI.2000.1835 https://doi.org/10.1097/00008571-199710000-00008
Nootkatone	1268142	Click to see CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C	218.33	unknown	https://doi.org/10.1021/JF9702149 https://doi.org/10.1080/10412905.1990.9697813 https://doi.org/10.1055/S-2006-958077 https://doi.org/10.1021/JF00034A007 https://doi.org/10.1021/JF60196A027 https://doi.org/10.1007/BF00232613 https://doi.org/10.1080/10575630108041281 https://doi.org/10.1002/FFJ.2730040313 https://doi.org/10.1006/ABBI.2000.1835 https://doi.org/10.1097/00008571-199710000-00008
Urodiolenone	3082691	Click to see CC1CC(=O)C=C2C1(CC(CC2)C(C)(CO)O)C	252.35	unknown	https://doi.org/10.1016/0031-9422(88)83100-5
Valencene	9855795	Click to see CC1CCC=C2C1(CC(CC2)C(=C)C)C	204.35	unknown	https://doi.org/10.1007/BF00232613 https://doi.org/10.1016/0031-9422(88)80123-7
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
(+)-alpha-Cyperone	12069824	Click to see CC1=C2CC(CCC2(CCC1=O)C)C(=C)C	218.33	unknown	https://doi.org/10.1002/HLCA.19830660507
(4aR,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1,4a,5,6,7,8-hexahydronaphthalen-2-one	162900695	Click to see CC1=CC(=O)CC2(C1CC(CC2)C(=C)C)C	218.33	unknown	https://doi.org/10.1002/HLCA.19830660507
(4aS,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1,4a,5,6,7,8-hexahydronaphthalen-2-one	162900696	Click to see CC1=CC(=O)CC2(C1CC(CC2)C(=C)C)C	218.33	unknown	https://doi.org/10.1002/HLCA.19830660507
2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-, [4aS-(4aalpha,6alpha,8aalpha)]-	12606673	Click to see CC1=CC(=O)CC2(C1CC(CC2)C(=C)C)C	218.33	unknown	https://doi.org/10.1002/HLCA.19830660507
alpha-Selinene	10856614	Click to see CC1=CCCC2(C1CC(CC2)C(=C)C)C	204.35	unknown	via CMAUP database
beta-Selinene	442393	Click to see CC(=C)C1CCC2(CCCC(=C)C2C1)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids
(+)-Germacrene D	24771782	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	via CMAUP database
(1E)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene	74764030	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	via CMAUP database
(1Z,5Z,8S)-1,5-dimethyl-8-prop-1-en-2-ylcyclodeca-1,5-diene	6440527	Click to see CC1=CCCC(=CCC(CC1)C(=C)C)C	204.35	unknown	via CMAUP database
(1Z,6Z)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene	5373727	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	via CMAUP database
(1Z)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene	92003564	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	via CMAUP database
(6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene	49796490	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	via CMAUP database
1-Methyl-5-methylene-8-(1-methylethyl)-1,6-cyclodecadiene	6436582	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	via CMAUP database
CID 46173863	46173863	Click to see CC1=CCCC2(C(O2)C(=O)C3=C(C1)OC=C3C)C	246.30	unknown	via CMAUP database
Germacrene B	5281519	Click to see CC1=CCCC(=CCC(=C(C)C)CC1)C	204.35	unknown	via CMAUP database
Germacrene D	5317570	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids / Scalarane sesterterpenoids
(3S,14bR)-8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol	5319977	Click to see CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)CO)C	442.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides
CID 162883619	162883619	Click to see CC1(CCC2C(C13C(O3)C(=O)O)(C(=O)CC(C24COC(=O)CC4O)C(C)(C)O)C)C(C5=COC=C5)OC6C(C(C(C(O6)CO)O)O)O	668.70	unknown	https://doi.org/10.1016/0031-9422(91)80116-I
Ichangic acid 17-beta-D-glucopyranoside	72995477	Click to see CC1(CCC2C(C13C(O3)C(=O)O)(C(=O)CC(C24COC(=O)CC4O)C(C)(C)O)C)C(C5=COC=C5)OC6C(C(C(C(O6)CO)O)O)O	668.70	unknown	https://doi.org/10.1016/0031-9422(91)80116-I
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
(3S,3aS,5S,10E,11aR)-5-hydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one	163018091	Click to see CC1C2CC(C(=C)CCCC(=CC2OC1=O)C)O	250.33	unknown	https://doi.org/10.1016/J.BMC.2008.04.063
11-(Furan-3-yl)-4'-hydroxy-5-(2-hydroxypropan-2-yl)-2,10-dimethylspiro[12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecane-6,5'-oxane]-2',3,13-trione	4482268	Click to see CC12CCC3C(C14C(O4)C(=O)OC2C5=COC=C5)(C(=O)CC(C36COC(=O)CC6O)C(C)(C)O)C	488.50	unknown	https://doi.org/10.1016/S0031-9422(00)91039-2 https://doi.org/10.1016/0031-9422(80)80191-9
2H-1-Benzopyran-2-one, 7-[[(2E)-3,7-dimethyl-2,6-octadienyl]oxy]-	400073	Click to see CC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C	298.40	unknown	https://doi.org/10.1016/S0031-9422(97)00771-1 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4052083/ https://doi.org/10.1021/JF1020329 https://doi.org/10.1021/JF9905525 https://doi.org/10.1093/CARCIN/20.8.1471 https://doi.org/10.1207/S15327914NC3602_8 https://doi.org/10.1016/J.FEBSLET.2006.08.072 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2724550/ https://doi.org/10.1111/J.1349-7006.2007.00417.X
4'-hydroxy-11-(2-hydroxy-5-oxo-2H-furan-4-yl)-5-(2-hydroxypropan-2-yl)-2,10-dimethylspiro[12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecane-6,5'-oxane]-2',3,13-trione	25022667	Click to see CC12CCC3C(C14C(O4)C(=O)OC2C5=CC(OC5=O)O)(C(=O)CC(C36COC(=O)CC6O)C(C)(C)O)C	520.50	unknown	https://doi.org/10.1016/J.BMC.2008.04.063
5-Geranoxypsoralen;Bergamottin; Bergaptin	119057	Click to see CC(=CCCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)C	338.40	unknown	https://doi.org/10.1021/NP100531X
Auraptene	1550607	Click to see CC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C	298.40	unknown	https://doi.org/10.1093/JN/135.12.2987S https://doi.org/10.1080/01635580701308216 https://doi.org/10.1016/S0031-9422(97)00771-1 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2724550/ https://doi.org/10.1021/JF1020329 https://doi.org/10.1248/YAKUSHI1947.116.3_244 https://doi.org/10.1093/CARCIN/21.10.1843 https://doi.org/10.1080/10575630108041281 https://doi.org/10.1093/CARCIN/20.8.1471 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4052083/ https://doi.org/10.5650/JOS.56.253 https://doi.org/10.1021/JF9905525 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4550746/ https://doi.org/10.1021/JF303060B https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5921462/ https://doi.org/10.1089/JMF.2013.0029 https://doi.org/10.1016/J.BBRC.2007.11.119 https://doi.org/10.1021/NP900266M
Bergamottin	5471349	Click to see CC(=CCCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)C	338.40	unknown	https://doi.org/10.1021/TX970192K https://doi.org/10.1021/JF990155U https://doi.org/10.1248/YAKUSHI.122.323 https://doi.org/10.1016/S0378-4347(00)00104-3 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1572193/ https://doi.org/10.1067/MCP.2001.113185 https://doi.org/10.1021/NP900266M https://doi.org/10.1002/(SICI)1099-1573(199709)11:6<450::AID-PTR127>3.0.CO;2-S https://doi.org/10.1097/00008571-199710000-00008 https://doi.org/10.1006/ABBI.2000.1835
Geranyloxy-coumarin	46841210	Click to see CC(=CCCC(=CCOC1=CC2=CC=CC=C2OC1=O)C)C	298.40	unknown	https://doi.org/10.1097/00008571-199710000-00008
Ichangin	441801	Click to see CC12CCC3C(C14C(O4)C(=O)OC2C5=COC=C5)(C(=O)CC(C36COC(=O)CC6O)C(C)(C)O)C	488.50	unknown	https://doi.org/10.1016/0031-9422(80)80191-9 https://doi.org/10.1271/NOGEIKAGAKU1924.66.31 https://doi.org/10.1016/S0031-9422(00)91039-2
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Ambrosanolides and secoambrosanolides
7-Hydroxy-6,9a-dimethyl-3-methylene-decahydro-azuleno[4,5-b]furan-2,9-dione	534579	Click to see CC1CCC2C(C3(C1C(CC3=O)O)C)OC(=O)C2=C	264.32	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Eudesmanolides, secoeudesmanolides, and derivatives
[(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate	101677429	Click to see CC1=CCC(C2(C1C3C(C(C2)OC(=O)C(=CCO)C)C(=C)C(=O)O3)C)O	362.40	unknown	https://doi.org/10.1016/0031-9422(91)80116-I
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives
CID 11953937	11953937	Click to see CC=C(C)C(=O)OC1CC(=CCC(C(=CC2C1C(=C)C(=O)O2)C)O)C	346.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes
1,3,3-trimethyl-2-[(1E,3Z,5Z,7E,9E,11E,13Z,15Z,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene	5315709	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C	536.90	unknown	https://doi.org/10.1021/JF00090A003
all-trans-alpha-Carotene	4369188	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C	536.90	unknown	https://doi.org/10.1021/JF00087A017 https://doi.org/10.1111/J.1365-2621.1986.TB10851.X
alpha-Carotene	6419725	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C	536.90	unknown	via CMAUP database
Asymmetrical zeta-carotene/Asym. zeta-carotene/7,8,11,12-Tetrahydrolycopene	16061252	Click to see CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C	540.90	unknown	via CMAUP database
Beta-Carotene	5280489	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C	536.90	unknown	https://doi.org/10.1021/JF00013A009 https://doi.org/10.1021/JF00087A017
epsilon-Carotene	446439	Click to see CC1=CCCC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C)(C)C	536.90	unknown	https://doi.org/10.1021/JF00013A009
epsilon,psi-Carotene, (6R)-	5281230	Click to see CC1=CCCC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)(C)C	536.90	unknown	via CMAUP database
Lycopene	446925	Click to see CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C	536.90	unknown	https://doi.org/10.1021/JF00013A009 https://doi.org/10.1021/JF00090A003
Phytoene	5280784	Click to see CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C	544.90	unknown	https://doi.org/10.1021/JF00013A009
Phytofluene	6436722	Click to see CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C	542.90	unknown	https://doi.org/10.1021/JF00013A009
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol	10311902	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C	552.90	unknown	via CMAUP database
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol	6433159	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C	568.90	unknown	via CMAUP database
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol	25245095	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C	568.90	unknown	via CMAUP database
(1S,2R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethylcyclohexane-1,2,4-triol	23258402	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2(C(CC(CC2(C)O)O)(C)C)O)C)C	602.90	unknown	via CMAUP database
(1S,3S,6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4S,6S)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol	101341894	Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C	600.90	unknown	via CMAUP database
(1S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol	448437	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C	568.90	unknown	via CMAUP database
(3S,5R,6S)-beta-cryptoxanthin 5,6-epoxide	23256985	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C	568.90	unknown	via CMAUP database
(3S,5R,8R,3'R)-mutatoxanthin	21765300	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2C=C3C(CC(CC3(O2)C)O)(C)C)C)C	584.90	unknown	via CMAUP database
(8a(2)R)-Neochrome	14034169	Click to see CC(=CC=CC=C(C)C=CC=C(C)C1C=C2C(CC(CC2(O1)C)O)(C)C)C=CC=C(C)C=C=C3C(CC(CC3(C)O)O)(C)C	600.90	unknown	via CMAUP database
2,2,6-trimethyl-1-[(1E,3Z,5Z,7E,9E,11E,13Z,15Z,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptane	5315711	Click to see CC1=CCCC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CCCC2(O3)C)(C)C)C)C)(C)C	552.90	unknown	via CMAUP database
4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-2-en-1-ol	5368396	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C	568.90	unknown	via CMAUP database
4-[18-(4-Hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol	181579	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C	568.90	unknown	via CMAUP database
all-trans-Neoxanthin	5281247	Click to see CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(CC(CC1(C)O)O)(C)C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C	600.90	unknown	via CMAUP database
beta-Cryptoxathin-5',6'-epoxide	21587177	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CCCC2(O3)C)(C)C)C)C	568.90	unknown	via CMAUP database
Beta, e-carotene-3, 3'-diol	102514741	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C	568.90	unknown	via CMAUP database
Cryptoxanthin	5281235	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C	552.90	unknown	https://doi.org/10.1021/JF00087A017
Flavochrome	6443299	Click to see CC1=CCCC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2C=C3C(CCCC3(O2)C)(C)C)C)C)(C)C	552.90	unknown	via CMAUP database
Lutein	5281243	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C	568.90	unknown	https://doi.org/10.1021/JF00087A017
Rubixanthin	5281252	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C	552.90	unknown	via CMAUP database
Violaxanthin	448438	Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C	600.90	unknown	via CMAUP database
Zeaxanthin	5280899	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C	568.90	unknown	via CMAUP database
Zeinoxanthin	5281234	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C	552.90	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(3E,5E,7E,9E,11E,13E,15E,17E,19E)-20-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-5,9,14,18-tetramethylicosa-3,5,7,9,11,13,15,17,19-nonaen-2-one	101306769	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C)C)C	472.70	unknown	via CMAUP database
alpha-Amyrin	73170	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C	426.70	unknown	https://doi.org/10.1021/JF00039A021
Apocarotenal	5478003	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C	416.60	unknown	via CMAUP database
Beta-Amyrin	73145	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C	426.70	unknown	https://doi.org/10.1021/JF00039A021
beta-Amyrone	12306160	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C)C	424.70	unknown	https://doi.org/10.1021/JF00039A021
beta-Citraurin	9845703	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C	432.60	unknown	via CMAUP database
beta-Citraurinene	90429320	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C)C)C	418.70	unknown	via CMAUP database
Friedelin	91472	Click to see CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C	426.70	unknown	https://doi.org/10.1021/JF00039A021
Urs-12-en-3-one	612828	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1C)C)C	424.70	unknown	https://doi.org/10.1021/JF00039A021
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids / Limonoids
(1R,2R,4S,7S,8S,11S,12R,18S)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione	38349717	Click to see CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C	454.50	unknown	https://doi.org/10.1016/0031-9422(80)80191-9
(1R,2R,7R,10R,13R,14R,16S,19R,20S)-19-(2-hydroxy-5-oxo-2H-furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione	90656863	Click to see CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=CC(=O)OC7O)C)C)C	502.50	unknown	via CMAUP database
(1R,2R,7S,10R,13R,14R,16S,19R,20S)-19-[(2R)-2-hydroxy-5-oxo-2H-furan-3-yl]-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione	98050000	Click to see CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=CC(=O)OC7O)C)C)C	502.50	unknown	https://doi.org/10.1021/JA01150A059
(1R,2R,7S,10S,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione	92966492	Click to see CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)C	470.50	unknown	https://doi.org/10.1016/0031-9422(80)80191-9
(1R,7aR,9S,11bR)-1-acetyloxy-9-[(S)-furan-3-yl(hydroxy)methyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxospiro[2,5a,6,10,11,11a-hexahydro-1H-naphtho[2,1-c]oxepine-8,3'-oxirane]-2'-carboxylic acid	101359992	Click to see CC(=O)OC1CC(=O)OC(C2C1(C3CCC(C4(C3(C(=O)C2)C)C(O4)C(=O)O)(C)C(C5=COC=C5)O)C)(C)C	532.60	unknown	https://doi.org/10.1016/S0031-9422(00)83448-2
(1S,2'S,5aR,7aR,8R,9S,11aR,11bR)-1-acetyloxy-9-[(S)-furan-3-yl-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxospiro[2,5a,6,10,11,11a-hexahydro-1H-naphtho[2,1-c]oxepine-8,3'-oxirane]-2'-carboxylic acid	162872861	Click to see CC(=O)OC1CC(=O)OC(C2C1(C3CCC(C4(C3(C(=O)C2)C)C(O4)C(=O)O)(C)C(C5=COC=C5)OC6C(C(C(C(O6)CO)O)O)O)C)(C)C	694.70	unknown	https://doi.org/10.1016/0031-9422(91)80116-I
(1S,2R,4S,7S,8S,11R,12R,18S,20R)-7-(furan-3-yl)-20-hydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15-dione	163186369	Click to see CC1(C2CC(C3(C(C2(C=CC(=O)O1)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)O)C	456.50	unknown	https://doi.org/10.1016/0031-9422(80)80191-9
(2'R,5aR,7aR,8R,9S,11aR,11bR)-9-[(S)-furan-3-yl-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxospiro[6,10,11,11a-tetrahydro-5aH-benzo[g][2]benzoxepine-8,3'-oxirane]-2'-carboxylic acid	53363753	Click to see CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)CCC(C34C(O4)C(=O)O)(C)C(C5=COC=C5)OC6C(C(C(C(O6)CO)O)O)O)C)C	634.70	unknown	via CMAUP database
(2'S,5aR,7aR,8R,9S,11aR,11bR)-9-[(S)-furan-3-yl-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxospiro[6,10,11,11a-tetrahydro-5aH-benzo[g][2]benzoxepine-8,3'-oxirane]-2'-carboxylic acid	101629616	Click to see CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)CCC(C34C(O4)C(=O)O)(C)C(C5=COC=C5)OC6C(C(C(C(O6)CO)O)O)O)C)C	634.70	unknown	https://doi.org/10.1016/0031-9422(91)80116-I
[(1R,2R,8S,11S,12R,18S)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl] acetate	137706495	Click to see CC(=O)OC1CC(=O)OC(C2C1(C3CCC4(C(OC(=O)C5C4(C3(C(=O)C2)C)O5)C6=COC=C6)C)C)(C)C	514.60	unknown	https://doi.org/10.1016/0378-8741(86)90156-X https://doi.org/10.1271/NOGEIKAGAKU1924.66.31 https://doi.org/10.1021/JF00008A021
[(1S,2R,4S,7S,8S,11R,12R,18S,20R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-en-20-yl] acetate	92859137	Click to see CC(=O)OC1CC2C(OC(=O)C=CC2(C3C1(C45C(O4)C(=O)OC(C5(CC3)C)C6=COC=C6)C)C)(C)C	498.60	unknown	https://doi.org/10.1016/0031-9422(80)80191-9
[7-(Furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-en-20-yl] acetate	76534678	Click to see CC(=O)OC1CC2C(OC(=O)C=CC2(C3C1(C45C(O4)C(=O)OC(C5(CC3)C)C6=COC=C6)C)C)(C)C	498.60	unknown	https://doi.org/10.1016/0031-9422(80)80191-9
1-acetyloxy-9-[furan-3-yl-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxospiro[2,5a,6,10,11,11a-hexahydro-1H-naphtho[2,1-c]oxepine-8,3'-oxirane]-2'-carboxylic acid	14313518	Click to see CC(=O)OC1CC(=O)OC(C2C1(C3CCC(C4(C3(C(=O)C2)C)C(O4)C(=O)O)(C)C(C5=COC=C5)OC6C(C(C(C(O6)CO)O)O)O)C)(C)C	694.70	unknown	https://doi.org/10.1016/0031-9422(91)80116-I
9-[furan-3-yl-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1-hydroxy-5,5,7a,9,11b-pentamethyl-3,7-dioxospiro[2,5a,6,10,11,11a-hexahydro-1H-naphtho[2,1-c]oxepine-8,3'-oxirane]-2'-carboxylic acid	14313523	Click to see CC1(C2CC(=O)C3(C(C2(C(CC(=O)O1)O)C)CCC(C34C(O4)C(=O)O)(C)C(C5=COC=C5)OC6C(C(C(C(O6)CO)O)O)O)C)C	652.70	unknown	https://doi.org/10.1016/0031-9422(91)80116-I
CID 12313416	12313416	Click to see CC(=O)OC1CC(=O)OC(C2C1(C3CCC4(C(OC(=O)C5C4(C3(C(=O)C2)C)O5)C6=COC=C6)C)C)(C)C	514.60	unknown	via CMAUP database
CID 326240	326240	Click to see CC(=O)OC1CC(=O)OC(C2C1(C3CCC4(C(OC(=O)C5C4(C3(C(=O)C2)C)O5)C6=COC=C6)C)C)(C)C	514.60	unknown	https://doi.org/10.1271/NOGEIKAGAKU1924.66.31 https://doi.org/10.1021/JF00008A021
Deacetylnomilin	139082180	Click to see CC1(C2CC(=O)C3(C(C2(C(CC(=O)O1)O)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C	472.50	unknown	https://doi.org/10.1271/NOGEIKAGAKU1924.66.31
Evodia fruit	235284	Click to see CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)C	470.50	unknown	https://doi.org/10.1159/000336921 https://doi.org/10.1016/0031-9422(80)80191-9 https://doi.org/10.1021/JF901718U https://doi.org/10.1016/J.EJPHAR.2009.09.040
Limonexin	76419898	Click to see CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=CC(=O)OC7O)C)C)C	502.50	unknown	https://doi.org/10.1021/JA01150A059
Limonin	179651	Click to see CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)C	470.50	unknown	https://doi.org/10.1093/JAOAC/74.3.513 https://doi.org/10.1021/JF9702149 https://doi.org/10.1016/0378-8741(86)90156-X https://doi.org/10.1021/JF901718U https://doi.org/10.1021/JF60216A032 https://doi.org/10.1159/000336921 https://doi.org/10.1021/JF00008A021 https://doi.org/10.1016/J.EJPHAR.2009.09.040 https://doi.org/10.1016/0031-9422(91)83178-N https://doi.org/10.1021/JF00116A034 https://doi.org/10.1271/NOGEIKAGAKU1924.66.31
Limonin 17-beta-D-glucopyranoside	24820753	Click to see CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC(C35C(O5)C(=O)O)(C)C(C6=COC=C6)OC7C(C(C(C(O7)CO)O)O)O)C)C	650.70	unknown	https://doi.org/10.1016/0031-9422(91)80116-I https://doi.org/10.1021/JF901718U
Nomilin	72320	Click to see CC(=O)OC1CC(=O)OC(C2C1(C3CCC4(C(OC(=O)C5C4(C3(C(=O)C2)C)O5)C6=COC=C6)C)C)(C)C	514.60	unknown	via CMAUP database
Nomilin glucoside	3083017	Click to see CC(=O)OC1CC(=O)OC(C2C1(C3CCC(C4(C3(C(=O)C2)C)C(O4)C(=O)O)(C)C(C5=COC=C5)OC6C(C(C(C(O6)CO)O)O)O)C)(C)C	694.70	unknown	https://doi.org/10.1271/NOGEIKAGAKU1924.66.31
Obacunol	4030850	Click to see CC1(C2CC(C3(C(C2(C=CC(=O)O1)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)O)C	456.50	unknown	https://doi.org/10.1016/0031-9422(80)80191-9
Obacunone	119041	Click to see CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C	454.50	unknown	https://doi.org/10.1271/NOGEIKAGAKU1924.66.31
Obacunone 17-O-beta-D-glucoside	14313526	Click to see CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)CCC(C34C(O4)C(=O)O)(C)C(C5=COC=C5)OC6C(C(C(C(O6)CO)O)O)O)C)C	634.70	unknown	https://doi.org/10.1016/0031-9422(91)80116-I
Tricoccin S3	500031	Click to see CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C	454.50	unknown	https://doi.org/10.1016/0031-9422(80)80191-9
> Lipids and lipid-like molecules / Saccharolipids
(2'S,3aR,5aR,6R,7S,9aR,9bS)-9b-[(1R)-2-carboxy-1-hydroxyethyl]-7-[(S)-furan-3-yl-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3,5a,7-tetramethyl-5-oxospiro[1,3a,4,8,9,9a-hexahydrobenzo[e][2]benzofuran-6,3'-oxirane]-2'-carboxylic acid	163195220	Click to see CC1(C2CC(=O)C3(C(C2(CO1)C(CC(=O)O)O)CCC(C34C(O4)C(=O)O)(C)C(C5=COC=C5)OC6C(C(C(C(O6)CO)O)O)O)C)C	668.70	unknown	https://doi.org/10.1016/0031-9422(91)80116-I
(2'S,3S,4R,4aR,7R,8R,8aR)-8-[(1R)-2-carboxy-1-hydroxyethyl]-3-[(S)-furan-3-yl-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-7-(2-hydroxypropan-2-yl)-3,4a,8-trimethyl-5-oxospiro[2,6,7,8a-tetrahydro-1H-naphthalene-4,3'-oxirane]-2'-carboxylic acid	102450060	Click to see CC1(CCC2C(C(CC(=O)C2(C13C(O3)C(=O)O)C)C(C)(C)O)(C)C(CC(=O)O)O)C(C4=COC=C4)OC5C(C(C(C(O5)CO)O)O)O	670.70	unknown	https://doi.org/10.1016/0031-9422(91)80116-I
(2'S,3S,4R,4aR,7R,8R,8aR)-8-[(1R)-2-carboxy-1-hydroxyethyl]-3-[(S)-furan-3-yl-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-8-(hydroxymethyl)-7-(2-hydroxypropan-2-yl)-3,4a-dimethyl-5-oxospiro[2,6,7,8a-tetrahydro-1H-naphthalene-4,3'-oxirane]-2'-carboxylic acid	163012774	Click to see CC1(CCC2C(C13C(O3)C(=O)O)(C(=O)CC(C2(CO)C(CC(=O)O)O)C(C)(C)O)C)C(C4=COC=C4)OC5C(C(C(C(O5)CO)O)O)O	686.70	unknown	https://doi.org/10.1016/0031-9422(91)80116-I
(2'S,3S,4R,4aR,7R,8R,8aR)-8-[(1S)-2-carboxy-1-hydroxyethyl]-3-[(S)-furan-3-yl-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-7-(2-hydroxypropan-2-yl)-3,4a,8-trimethyl-5-oxospiro[2,6,7,8a-tetrahydro-1H-naphthalene-4,3'-oxirane]-2'-carboxylic acid	162975978	Click to see CC1(CCC2C(C(CC(=O)C2(C13C(O3)C(=O)O)C)C(C)(C)O)(C)C(CC(=O)O)O)C(C4=COC=C4)OC5C(C(C(C(O5)CO)O)O)O	670.70	unknown	https://doi.org/10.1021/JF901718U
19-Hydroxydeacetylnomilinic acid 17-beta-D-glucopyranoside	131752209	Click to see CC1(CCC2C(C13C(O3)C(=O)O)(C(=O)CC(C2(CO)C(CC(=O)O)O)C(C)(C)O)C)C(C4=COC=C4)OC5C(C(C(C(O5)CO)O)O)O	686.70	unknown	https://doi.org/10.1016/0031-9422(91)80116-I
8-(2-carboxy-1-hydroxyethyl)-3-[furan-3-yl-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-7-(2-hydroxypropan-2-yl)-3,4a,8-trimethyl-5-oxospiro[2,6,7,8a-tetrahydro-1H-naphthalene-4,3'-oxirane]-2'-carboxylic acid	162975977	Click to see CC1(CCC2C(C(CC(=O)C2(C13C(O3)C(=O)O)C)C(C)(C)O)(C)C(CC(=O)O)O)C(C4=COC=C4)OC5C(C(C(C(O5)CO)O)O)O	670.70	unknown	https://doi.org/10.1016/0031-9422(91)80116-I https://doi.org/10.1021/JF901718U
Isolimonic acid glucoside	131752617	Click to see CC1(C2CC(=O)C3(C(C2(CO1)C(CC(=O)O)O)CCC(C34C(O4)C(=O)O)(C)C(C5=COC=C5)OC6C(C(C(C(O6)CO)O)O)O)C)C	668.70	unknown	https://doi.org/10.1016/0031-9422(91)80116-I
Nomilinic acid 17-glucoside	73066469	Click to see CC(=O)OC(CC(=O)O)C1(C2CCC(C3(C2(C(=O)CC1C(C)(C)O)C)C(O3)C(=O)O)(C)C(C4=COC=C4)OC5C(C(C(C(O5)CO)O)O)O)C	712.70	unknown	https://doi.org/10.1016/0031-9422(91)80116-I
Nomilinic acid 17-O-beta-D-glucoside	5748431	Click to see CC(=O)OC(CC(=O)O)C1(C2CCC(C3(C2(C(=O)CC1C(C)(C)O)C)C(O3)C(=O)O)(C)C(C4=COC=C4)OC5C(C(C(C(O5)CO)O)O)O)C	712.70	unknown	https://doi.org/10.1016/S0031-9422(00)98087-7
Nomilinic acid glycoside	20834260	Click to see CC(=O)OC(CC(=O)O)C1(C2CCC(C3(C2(C(=O)CC1C(C)(C)O)C)C(O3)C(=O)O)(C)C(C4=COC=C4)OC5C(C(C(C(O5)CO)O)O)O)C	712.70	unknown	https://doi.org/10.1016/0031-9422(91)80116-I
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives / Dihydroxy bile acids, alcohols and derivatives
[(2S,6R)-6-[(3S,5R,8S,9S,10R,13R,14S,17R)-3,5-dihydroxy-10,13-dimethyl-6-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptyl] acetate	102018398	Click to see CC(CCC(=C)C(C)COC(=O)C)C1CCC2C1(CCC3C2CC(=O)C4(C3(CCC(C4)O)C)O)C	488.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cholestane steroids / Cholesterols and derivatives
(1S,2R,5S,7S,9R,10R,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecane-5,10-diol	44583439	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2C(C4C5(C3(CCC(C5)O)C)O4)O)C	418.70	unknown	via CMAUP database
3beta,5alpha,6beta-Trihydroxycholestane	91498	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(C4(C3(CCC(C4)O)C)O)O)C	420.70	unknown	via CMAUP database
5alpha-Cholestan-3beta-ol, 2-methylene-	22213932	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC(=C)C(C4)O)C)C	400.70	unknown	via CMAUP database
Cholestane-3b,5a,6b,7b-tetrol	56678658	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2C(C(C4(C3(CCC(C4)O)C)O)O)O)C	436.70	unknown	via CMAUP database
Cholestanol	6665	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C	388.70	unknown	via CMAUP database
Cholesterol	5997	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	386.70	unknown	https://doi.org/10.1007/BF00579640
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cycloartanols and derivatives
(3R,6S,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol	45109773	Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C	426.70	unknown	via CMAUP database
24-Methylenecycloartanol	94204	Click to see CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C	440.70	unknown	https://doi.org/10.1021/JF00039A021
CID 9547213	9547213	Click to see CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C	440.70	unknown	https://doi.org/10.1021/JF00039A021
Cycloartenone	12305360	Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C	424.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids
5beta,6beta-Epoxyergosta-24(28)-ene-3beta,7beta-diol	11732746	Click to see CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2C(C4C5(C3(CCC(C5)O)C)O4)O)C	430.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
(3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol	14679361	Click to see CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2CC(C4(C3(CCC(C4)O)C)O)O)C	432.70	unknown	via CMAUP database
(3S,5R,6R,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol	44558918	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC(C4(C3(CCC(C4)O)C)O)O)C	434.70	unknown	via CMAUP database
(3S,8S,9S,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	134766514	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	400.70	unknown	https://doi.org/10.1007/BF00579640
22,23-Dihydrobrassicasterol	5283637	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	400.70	unknown	via CMAUP database
24-Methylenecholesterol	92113	Click to see CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	398.70	unknown	via CMAUP database
5-Cholestene-3-ol, 24-methyl-	312822	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	400.70	unknown	https://doi.org/10.1007/BF00579640
5alpha-Ergostane-3beta,5,6beta,7beta-tetrol	133494	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2C(C(C4(C3(CCC(C4)O)C)O)O)O)C	450.70	unknown	via CMAUP database
Brassicasterol	5281327	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	398.70	unknown	via CMAUP database
Ergost-24(28)-ene-3beta,5alpha,6beta,7beta-tetrol	11037703	Click to see CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2C(C(C4(C3(CCC(C4)O)C)O)O)O)C	448.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Gorgostanes and derivatives
11alpha-Hydroxygorgosterol	10599347	Click to see CC(C)C(C)C1(CC1C(C)C2CCC3C2(CC(C4C3CC=C5C4(CCC(C5)O)C)O)C)C	442.70	unknown	via CMAUP database
9-Hydroxygorgosterol	11812281	Click to see CC(C)C(C)C1(CC1C(C)C2CCC3C2(CCC4(C3CC=C5C4(CCC(C5)O)C)O)C)C	442.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Pregnane steroids / Gluco/mineralocorticoids, progestogins and derivatives
(3S,8S,9R,10S,11R,13R,14R,17R)-10,13-dimethyl-17-[(1R)-1-[(1R,2R)-2-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-2,3,4,7,8,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,9,11,14-tetrol	10961762	Click to see CC(C)C(C)C1(CC1C(C)C2CCC3(C2(CC(C4(C3CC=C5C4(CCC(C5)O)C)O)O)C)O)C	474.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid esters
3-(Acetyloxy)-5-hydroxyergost-24(28)-en-6-yl acetate	90473755	Click to see CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2CC(C4(C3(CCC(C4)OC(=O)C)C)O)OC(=O)C)C	516.80	unknown	via CMAUP database
Norgestimate and Ethinyl Estradiol	9571023	Click to see CCC12CCC3C(C1CCC2(C#C)OC(=O)C)CCC4=CC(=NO)CCC34.CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O	665.90	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid lactones
(1R,2R,7R,10R,13R,14R,16S,19R,20S)-19-(furan-2-yl)-9,9,13,20-tetramethyl-4,8,15-trioxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione	45482319	Click to see CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)CC5C7=CC=CO7)C)C)C	468.50	unknown	via CMAUP database
(1R,2R,7S,10S,12R,13S,14R,16S,19S,20S)-19-(furan-3-yl)-12-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,17-dione	163186075	Click to see CC1(C2CC(C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)O)C	472.50	unknown	https://doi.org/10.1016/0031-9422(80)80191-9
(1R,2R,7S,10S,12S,13R,14S,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-12-(2-oxopropyl)-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,17-dione	162998667	Click to see CC(=O)CC1CC2C(OC3C2(COC(=O)C3)C4C1(C56C(O5)C(=O)OC(C6(CC4)C)C7=COC=C7)C)(C)C	512.60	unknown	https://doi.org/10.1016/0031-9422(80)80191-9
(1R,2S,7R,10R,13R,18R,19R)-18-(furan-3-yl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.02,7.02,10.014,19]henicos-14-ene-5,12,16-trione	162865882	Click to see CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C3=CC(=O)OC5C6=COC=C6)C)C)C	454.50	unknown	https://doi.org/10.1021/JO01014A022
(2E)-3-[(3aS,5aR,6R,7R,9aR,9bR,10aS)-3-(Furan-3-yl)-7-(2-hydroxypropan-2-yl)-3a,6,9a-trimethyl-1,9-dioxododecahydronaphtho[2,1-c]oxireno[d]pyran-6-yl]prop-2-enoic acid	54611038	Click to see CC12CCC3C(C(CC(=O)C3(C14C(O4)C(=O)OC2C5=COC=C5)C)C(C)(C)O)(C)C=CC(=O)O	472.50	unknown	via CMAUP database
(3R)-3-[(1R,2R,4S,7S,8R,11R,12S,16S)-7-(furan-3-yl)-1,8,15,15-tetramethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]-3-hydroxypropanoic acid	162846960	Click to see CC1(C2CC(=O)C3(C(C2(CO1)C(CC(=O)O)O)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C	488.50	unknown	https://doi.org/10.1016/J.BMC.2008.04.063
(3S)-3-acetyloxy-3-[(1R,2R,5R,6R,7R,10S,11S,14S)-11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]propanoic acid	124708033	Click to see CC(=O)OC(CC(=O)O)C1(C2CCC3(C(OC(=O)C4C3(C2(C(=O)CC1C(C)(C)O)C)O4)C5=COC=C5)C)C	532.60	unknown	https://doi.org/10.1016/0031-9422(80)80191-9
19-(Furan-3-yl)-9,9,13,20-tetramethyl-12-(2-oxopropyl)-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,17-dione	162998666	Click to see CC(=O)CC1CC2C(OC3C2(COC(=O)C3)C4C1(C56C(O5)C(=O)OC(C6(CC4)C)C7=COC=C7)C)(C)C	512.60	unknown	https://doi.org/10.1016/0031-9422(80)80191-9
3-[(1R,2R,5R,6R,7R,10S,11S,14S)-11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]-3-hydroxypropanoic acid	101601415	Click to see CC12CCC3C(C(CC(=O)C3(C14C(O4)C(=O)OC2C5=COC=C5)C)C(C)(C)O)(C)C(CC(=O)O)O	490.50	unknown	https://doi.org/10.1271/NOGEIKAGAKU1924.66.31
3-[(1R,2R,5R,6R,7R,10S,11S,14S)-11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]propanoic acid	163047887	Click to see CC12CCC3C(C(CC(=O)C3(C14C(O4)C(=O)OC2C5=COC=C5)C)C(C)(C)O)(C)CCC(=O)O	474.50	unknown	https://doi.org/10.1016/0031-9422(80)80191-9
3-[11-(Furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]propanoic acid	163047886	Click to see CC12CCC3C(C(CC(=O)C3(C14C(O4)C(=O)OC2C5=COC=C5)C)C(C)(C)O)(C)CCC(=O)O	474.50	unknown	https://doi.org/10.1016/0031-9422(80)80191-9
Desoxylimonin	100026	Click to see CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C3=CC(=O)OC5C6=COC=C6)C)C)C	454.50	unknown	https://doi.org/10.1021/JO01014A022
Isolimonic acid 16->17-lactone	25022666	Click to see CC1(C2CC(=O)C3(C(C2(CO1)C(CC(=O)O)O)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C	488.50	unknown	https://doi.org/10.1016/J.BMC.2008.04.063
Limonol	100027	Click to see CC1(C2CC(C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)O)C	472.50	unknown	https://doi.org/10.1016/0031-9422(80)80191-9
methyl (3S)-3-[(1R,2R,4S,7S,8S,11R,12R,16R)-7-(furan-3-yl)-1,8,15,15-tetramethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]-3-hydroxypropanoate	163006631	Click to see CC1(C2CC(=O)C3(C(C2(CO1)C(CC(=O)OC)O)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C	502.60	unknown	https://doi.org/10.1016/S0031-9422(00)91039-2
methyl (E)-3-[(1S,2R,4S,7S,8S,11R,12S,16S,17R,18S)-17,18-diacetyloxy-7-(furan-3-yl)-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate	10579219	Click to see CC(=O)OC1C2C(OCC2(C3CCC4(C(OC(=O)C5C4(C3(C1OC(=O)C)C)O5)C6=COC=C6)C)C=CC(=O)OC)(C)C	586.60	unknown	via CMAUP database
Methyl 3-[11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]-3-hydroxypropanoate	14037479	Click to see CC12CCC3C(C(CC(=O)C3(C14C(O4)C(=O)OC2C5=COC=C5)C)C(C)(C)O)(C)C(CC(=O)OC)O	504.60	unknown	https://doi.org/10.1016/S0031-9422(00)91039-2
Methyl 3-[7-(furan-3-yl)-1,8,15,15-tetramethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]-3-hydroxypropanoate	163006630	Click to see CC1(C2CC(=O)C3(C(C2(CO1)C(CC(=O)OC)O)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C	502.60	unknown	https://doi.org/10.1016/S0031-9422(00)91039-2
Methyl 3-acetyloxy-3-[11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]propanoate	156602968	Click to see CC(=O)OC(CC(=O)OC)C1(C2CCC3(C(OC(=O)C4C3(C2(C(=O)CC1C(C)(C)O)C)O4)C5=COC=C5)C)C	546.60	unknown	https://doi.org/10.1016/S0031-9422(00)91039-2
Methyl nomilinate	124708022	Click to see CC(=O)OC(CC(=O)OC)C1(C2CCC3(C(OC(=O)C4C3(C2(C(=O)CC1C(C)(C)O)C)O4)C5=COC=C5)C)C	546.60	unknown	https://doi.org/10.1016/S0031-9422(00)91039-2
Nomilinic acid	131751863	Click to see CC(=O)OC(CC(=O)O)C1(C2CCC3(C(OC(=O)C4C3(C2(C(=O)CC1C(C)(C)O)C)O4)C5=COC=C5)C)C	532.60	unknown	https://doi.org/10.1016/0031-9422(80)80191-9 https://doi.org/10.1271/NOGEIKAGAKU1924.66.31
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid lactones / Cardenolides and derivatives / Cardenolide glycosides and derivatives
3-[(3S,5S,8R,9S,10R,13R,17R)-5,14-dihydroxy-3-[(2S,4R,5S,6S)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one	9874859	Click to see CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C)OC)OC7C(C(C(C(O7)CO)O)O)O	696.80	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides
17-[1-[5'-[5-[4-Hydroxy-5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4'-methoxy-6',9-dimethylspiro[4,5a,6,7,9,9a-hexahydropyrano[3,4-c][1,2,5]trioxepine-3,2'-oxane]-7-yl]oxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol	74397825	Click to see CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3O)OC4C(OC(CC4OC)OC5C(OC6(CC5OC)COC7CC(OC(C7OO6)C)OC(C)C8(CCC9C8(CCC1C9CC=C2C1(CCC(C2)O)C)C)O)C)C)C)C)OC)O	1199.50	unknown	https://doi.org/10.1016/S0031-9422(00)91039-2
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(-)-beta-Sitosterol	6432744	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	via CMAUP database
(3S,8R,9R,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	636741	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	via CMAUP database
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	86821	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	https://doi.org/10.1007/BF00579640
24-Ethylcholest-5-en-3beta-ol	22012	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	https://doi.org/10.1007/BF00579640
3-epi-beta-Sitosterol	12303645	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	via CMAUP database
Beta-Sitosterol	222284	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	via CMAUP database
Clionasterol	457801	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	via CMAUP database
Sitogluside	5742590	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C	576.80	unknown	via CMAUP database
Stigmast-4-en-3-one	5484202	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(C)C	412.70	unknown	via CMAUP database
Stigmastane-3beta,5alpha,6beta-triol	3036251	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC(C4(C3(CCC(C4)O)C)O)O)C)C(C)C	448.70	unknown	via CMAUP database
Stigmasterol	5280794	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://doi.org/10.1007/BF00579640
> Nucleosides, nucleotides, and analogues / Pyrimidine nucleosides / Pyrimidine 2,3-dideoxyribonucleosides
Pyrimidin-2-one, 4-[N-methylureido]-1-[4-methylaminocarbonyloxymethyl	545706	Click to see CNC(=O)NC1=NC(=O)N(C=C1)C2CCC(O2)COC(=O)NC	325.32	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Proline and derivatives
1,1-Dimethylpyrrolidinium-2-carboxylate	554	Click to see C[N+]1(CCCC1C(=O)[O-])C	143.18	unknown	via CMAUP database
Stachydrine	115244	Click to see C[N+]1(CCCC1C(=O)[O-])C	143.18	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides / Cyclic peptides
cyclo[Ala-Thr-Gly-Thr-Phe-Leu-Ile]	15232519	Click to see CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)CC2=CC=CC=C2)C(C)O)C(C)O)C	703.80	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides / Oligopeptides
Citrusin VI	11029140	Click to see CC(C)CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NC(C(=O)NCC(=O)NCC(=O)N1)CC4=CC=CC=C4)CC(C)C)CC(C)C	795.00	unknown	https://doi.org/10.3987/COM-01-9419
Cyclo(Gly-Leu-Val-Leu-Pro-Ser-)	11092968	Click to see CC(C)CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NCC(=O)N1)CO)CC(C)C)C(C)C	566.70	unknown	via CMAUP database
Cyclo(glycylglycylleucylleucylleucylprolylprolylphenylalanyl)	85372972	Click to see CC(C)CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NC(C(=O)NCC(=O)NCC(=O)N1)CC4=CC=CC=C4)CC(C)C)CC(C)C	795.00	unknown	https://doi.org/10.3987/COM-01-9419
Cyconatsudamine A	24180446	Click to see CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1)CC4=CC=C(C=C4)O)CO)CC(C)C	727.80	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
2-Decenylsuccinic anhydride	5362666	Click to see CCCCCCCC=CCC1CC(=O)OC1=O	238.32	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Tetracarboxylic acids and derivatives
Tetraacetyl-d-xylonic nitrile	541568	Click to see CC(=O)OCC(C(C(C(=O)C#N)OC(=O)C)OC(=O)C)OC(=O)C	343.29	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
2-(Carboxymethyl)-2-hydroxybutanedioate;hydron	88113319	Click to see [H+].[H+].C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O	192.12	unknown	via CMAUP database
3-Hydroxy-3-(methoxycarbonyl)pentanedioic acid	12566215	Click to see COC(=O)C(CC(=O)O)(CC(=O)O)O	206.15	unknown	via CMAUP database
> Organic acids and derivatives / Organic carbonic acids and derivatives / Carbonic acid diesters
Diethyl carbonate	7766	Click to see CCOC(=O)OCC	118.13	unknown	via CMAUP database
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Aralkylamines / Phenylalkylamines
N-Methylaniline	7515	Click to see CNC1=CC=CC=C1	107.15	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds
Hexylidyneoxidanium	53628050	Click to see [CH2-]CCCCC#[O+]	98.14	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
(-)-Quinate	1560034	Click to see C1C(C(C(CC1(C(=O)[O-])O)O)O)O	191.16	unknown	via CMAUP database
(+)-Quinic acid	37439	Click to see C1C(C(C(CC1(C(=O)O)O)O)O)O	192.17	unknown	via CMAUP database
(1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid	9476	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	354.31	unknown	via CMAUP database
Quinic acid	6508	Click to see C1C(C(C(CC1(C(=O)O)O)O)O)O	192.17	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols
1-Pentanol	6276	Click to see CCCCCO	88.15	unknown	https://doi.org/10.1021/JF60196A027
3-Methyl-3-buten-1-ol	12988	Click to see CC(=C)CCO	86.13	unknown	via CMAUP database
4-Methyl-1-pentanol	12296	Click to see CC(C)CCCO	102.17	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]hexadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol	29921731	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC=CC=CC=CC=CC=CC=CC=CC2=C(CC(CC2(C)C)O)C	486.70	unknown	via CMAUP database
2-Hydroxycyclopentadecanone	543400	Click to see C1CCCCCCC(C(=O)CCCCCC1)O	240.38	unknown	via CMAUP database
6-Methylheptan-3-ol	86783	Click to see CCC(CCC(C)C)O	130.23	unknown	https://doi.org/10.1080/10412905.1995.9698535
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
(e,e)-2,6-Dimethyl-3,5,7-octatrien-2-ol	5363695	Click to see CC(=CC=CC(C)(C)O)C=C	152.23	unknown	via CMAUP database
alpha-Acorenol	11972555	Click to see CC1CCC(C12CCC(=CC2)C)C(C)(C)O	222.37	unknown	via CMAUP database
Linalool, oxide	102611	Click to see CC(=CCCC(C)(C1CO1)O)C	170.25	unknown	via CMAUP database
Paradisiol	91747420	Click to see CC(=C)C1CCC2C(C1)(CCCC2(C)O)C	222.37	unknown	https://doi.org/10.1002/HLCA.19830660507
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Aminosaccharides / Aminoglycosides / Aminocyclitol glycosides
4,6-Diamino-3-([3-deoxy-3-(methylamino)pentopyranosyl]oxy)-2-hydroxycyclohexyl 2-amino-2-deoxyhexopyranoside	91692120	Click to see CNC1C(COC(C1O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)O)N)N)N)O	468.50	unknown	via CMAUP database
CID 12810388	12810388	Click to see CNC1C(COC(C1O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)O)N)N)N)O	468.50	unknown	via CMAUP database
Gentamicin	3467	Click to see CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC	477.60	unknown	via CMAUP database
Gentamicin A	86474	Click to see CNC1C(COC(C1O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)O)N)N)N)O	468.50	unknown	via CMAUP database
Gentamycin A	439602	Click to see CNC1C(COC(C1O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)O)N)N)N)O	468.50	unknown	via CMAUP database
Unii-4W8R3urs2H	12810390	Click to see CNC1C(COC(C1O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)O)N)N)N)O	468.50	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
(1R,2R,2'S,5S,10R,13S)-5-[(S)-furan-3-yl-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5,7,11,11-tetramethyl-8,15-dioxospiro[12,16-dioxatetracyclo[8.7.0.01,13.02,7]heptadecane-6,3'-oxirane]-2'-carboxylic acid	56840940	Click to see CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC(C35C(O5)C(=O)O)(C)C(C6=COC=C6)OC7C(C(C(C(O7)CO)O)O)O)C)C	650.70	unknown	via CMAUP database
Limonin17-beta-D-glucopyranoside	86193	Click to see CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC(C35C(O5)C(=O)O)(C)C(C6=COC=C6)OC7C(C(C(C(O7)CO)O)O)O)C)C	650.70	unknown	https://doi.org/10.1016/0031-9422(91)80116-I https://doi.org/10.1021/JF901718U
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
3,5-Dihydroxyphenyl beta-D-glucopyranoside	476785	Click to see C1=C(C=C(C=C1O)OC2C(C(C(C(O2)CO)O)O)O)O	288.25	unknown	https://doi.org/10.1021/JF991362X
Coniferin	5280372	Click to see COC1=C(C=CC(=C1)C=CCO)OC2C(C(C(C(O2)CO)O)O)O	342.34	unknown	https://doi.org/10.1016/S0031-9422(00)81540-X
Eleutheroside B	5316860	Click to see COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO	372.40	unknown	via CMAUP database
Tangshenoside I	6441191	Click to see CC(CC(=O)O)(CC(=O)OCC=CC1=CC(=C(C(=C1)OC)OC2C(C(C(C(O2)CO)O)O)O)OC)OC3C(C(C(C(O3)CO)O)O)O	678.60	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Thioglycosides
Desulphosinigrin	9601716	Click to see C=CCC(=NO)SC1C(C(C(C(O1)CO)O)O)O	279.31	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides
alpha-L-Fucopyranose 1,2:3,4-bis(benzeneboronate)	589742	Click to see B1(OC2C(OC3C(C2O1)OB(O3)C4=CC=CC=C4)C)C5=CC=CC=C5	336.00	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses / Desulfoglucosinolates
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-N-hydroxybut-3-enimidothioate	101648144	Click to see C=CCC(=NO)SC1C(C(C(C(O1)CO)O)O)O	279.31	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes
5-Hydroxymethylfurfural	237332	Click to see C1=C(OC(=C1)C=O)CO	126.11	unknown	via CMAUP database
5-Methylfurfural	12097	Click to see CC1=CC=C(O1)C=O	110.11	unknown	via CMAUP database
5,5'-Oxybis(5-methylene-2-furaldehyde)	12366272	Click to see C1=C(OC(=C1)C=O)COCC2=CC=C(O2)C=O	234.20	unknown	via CMAUP database
Furfural	7362	Click to see C1=COC(=C1)C=O	96.08	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
(111C)octanal	451254	Click to see CCCCCCCC=O	127.21	unknown	via CMAUP database
(R)-alpha-Citronellal	72941638	Click to see CC(CCCC(=C)C)CC=O	154.25	unknown	via CMAUP database
(Z)-2-Decenal	5354834	Click to see CCCCCCCC=CC=O	154.25	unknown	via CMAUP database
2-Decenal	5283345	Click to see CCCCCCCC=CC=O	154.25	unknown	via CMAUP database
2-Dodecenal	5283361	Click to see CCCCCCCCCC=CC=O	182.30	unknown	via CMAUP database
3,7-Dimethyloct-7-enal	101628	Click to see CC(CCCC(=C)C)CC=O	154.25	unknown	via CMAUP database
Decanal	8175	Click to see CCCCCCCCCC=O	156.26	unknown	https://doi.org/10.1021/JF9702149 https://doi.org/10.1016/0031-9422(88)80123-7 https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1271/BBB1961.55.2571
Dodecanal	8194	Click to see CCCCCCCCCCCC=O	184.32	unknown	via CMAUP database
Hexanal	6184	Click to see CCCCCC=O	100.16	unknown	https://doi.org/10.1080/10412905.1995.9698535
Nonanal	31289	Click to see CCCCCCCCC=O	142.24	unknown	https://doi.org/10.1016/0031-9422(88)80123-7 https://doi.org/10.1080/10412905.1995.9698535 https://doi.org/10.1271/BBB1961.55.2571
Octanal	454	Click to see CCCCCCCC=O	128.21	unknown	https://doi.org/10.1271/BBB1961.55.2571 https://doi.org/10.1080/10412905.1995.9698535
Undecanal	8186	Click to see CCCCCCCCCCC=O	170.29	unknown	via CMAUP database
Undecenal	62447	Click to see CCCCCCCCC=CC=O	168.28	unknown	https://doi.org/10.1271/BBB1961.55.2571
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes
4-Hydroxybenzaldehyde	126	Click to see C1=CC(=CC=C1C=O)O	122.12	unknown	https://doi.org/10.1248/CPB.44.804
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
2-(2-Butynyl)cyclohexanone	584585	Click to see CC#CCC1CCCCC1=O	150.22	unknown	via CMAUP database
2-Ethylcyclopentanone	92991	Click to see CCC1CCCC1=O	112.17	unknown	via CMAUP database
Jasmone	1549018	Click to see CCC=CCC1=C(CCC1=O)C	164.24	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
Spiro[4.5]dec-6-en-8-one, 1,7-dimethyl-4-(1-methylethyl)-	573024	Click to see CC1CCC(C12CC=C(C(=O)C2)C)C(C)C	220.35	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
6-Methyl-5-hepten-2-one	9862	Click to see CC(=CCCC(=O)C)C	126.20	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031
Z-5-Methyl-6-heneicosen-11-one	5363254	Click to see CCCCCCCCCCC(=O)CCCC=CC(C)CCCC	322.60	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
4-Acetylbenzoic Acid	11470	Click to see CC(=O)C1=CC=C(C=C1)C(=O)O	164.16	unknown	via CMAUP database
4'-Methylacetophenone	8500	Click to see CC1=CC=C(C=C1)C(=O)C	134.17	unknown	https://doi.org/10.1016/0031-9422(88)80123-7
> Organic oxygen compounds / Organooxygen compounds / Ethers / Acetals
1,1-Bis(dodecyloxy)hexadecane	41920	Click to see CCCCCCCCCCCCCCCC(OCCCCCCCCCCCC)OCCCCCCCCCCCC	595.10	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Ethers / Acetals / Ketals
(2R,3aR,6E,6aS)-2-heptadecyl-3a-methyl-6-octadecylidene-6aH-furo[2,3-d][1,3]dioxol-5-one	10258508	Click to see CCCCCCCCCCCCCCCCCC=C1C2C(OC(O2)CCCCCCCCCCCCCCCCC)(OC1=O)C	633.00	unknown	via CMAUP database
(3E,4R,5R)-4-hydroxy-5-methoxy-5-methyl-3-octadecylideneoxolan-2-one	10069345	Click to see CCCCCCCCCCCCCCCCCC=C1C(C(OC1=O)(C)OC)O	396.60	unknown	via CMAUP database
(3Z,4R,5R)-4-hydroxy-5-methoxy-5-methyl-3-octadecylideneoxolan-2-one	10023683	Click to see CCCCCCCCCCCCCCCCCC=C1C(C(OC1=O)(C)OC)O	396.60	unknown	via CMAUP database
n-Butyl-beta-d-fructopyranoside	50914217	Click to see CCCCOC1(C(C(C(CO1)O)O)O)CO	236.26	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Ethers / Dialkyl ethers
(2S)-2-ethoxypentane	11804727	Click to see CCCC(C)OCC	116.20	unknown	via CMAUP database
Diethylene Glycol Monoethyl Ether	8146	Click to see CCOCCOCCO	134.17	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Ethers / Dialkyl ethers / Polyethylene glycols
12,14,14-Trimethyl-3,6,9-trioxapentadecan-1-ol	545734	Click to see CC(CCOCCOCCOCCO)CC(C)(C)C	276.41	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzodioxanes / Phenylbenzodioxanes / Phenylbenzo-1,4-dioxanes
(6R,7R)-15-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-6-(hydroxymethyl)-2,19,19-trimethyl-5,8,18-trioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),10,15,17(22),20-heptaen-13-one	15346755	Click to see CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC5=C4OC(C(O5)C6=CC(=C(C(=C6)OC)O)OC)CO)C)O)C	547.60	unknown	https://doi.org/10.1248/CPB.44.804
15-Hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-6-(hydroxymethyl)-2,19,19-trimethyl-5,8,18-trioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),10,15,17(22),20-heptaen-13-one	162931096	Click to see CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC5=C4OC(C(O5)C6=CC(=C(C(=C6)OC)O)OC)CO)C)O)C	547.60	unknown	https://doi.org/10.1248/CPB.44.804
> Organoheterocyclic compounds / Benzodioxoles
Safrole	5144	Click to see C=CCC1=CC2=C(C=C1)OCO2	162.18	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Chromenopyridines
Azacridone A	10357912	Click to see CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CN=C4)C)O)C	308.30	unknown	https://doi.org/10.1248/CPB.41.789
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthones
1-hydroxy-3,5-dimethoxy-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one	162974161	Click to see COC1=C2C(=C(C=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C=C(C=C4O2)OC)O	450.40	unknown	https://doi.org/10.1016/J.FITOTE.2003.12.010 https://doi.org/10.1016/S0367-326X(99)00131-8
9H-Xanthen-9-one, 1-hydroxy-2,3,4,5-tetramethoxy-	5318357	Click to see COC1=CC=CC2=C1OC3=C(C(=C(C(=C3C2=O)O)OC)OC)OC	332.30	unknown	via CMAUP database
> Organoheterocyclic compounds / Diazepanes / 1,4-diazepanes
1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one oxime	551906	Click to see CC(=O)OCCC12CN3CCN(C1)CC(C3)C2=NO	267.32	unknown	via CMAUP database
> Organoheterocyclic compounds / Diazines / Pyrimidines and pyrimidine derivatives / Pyrimidones / Barbituric acid derivatives
3'-Hydroxyquinalbarbitone	534528	Click to see CC(CC(C)O)C1(C(=O)NC(=O)NC1=O)CC=C	254.28	unknown	via CMAUP database
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
Ascorbic Acid	54670067	Click to see C(C(C1C(=C(C(=O)O1)O)O)O)O	176.12	unknown	https://doi.org/10.1016/0308-8146(95)90791-5
D-ascorbic acid	54690394	Click to see C(C(C1C(=C(C(=O)O1)O)O)O)O	176.12	unknown	via CMAUP database
L-[2-13C]ascorbic acid	54676536	Click to see C(C(C1C(=C(C(=O)O1)O)O)O)O	176.12	unknown	via CMAUP database
> Organoheterocyclic compounds / Dithiolanes / 1,2-dithiolanes
Nereistoxin	15402	Click to see CN(C)C1CSSC1	149.30	unknown	via CMAUP database
> Organoheterocyclic compounds / Heteroaromatic compounds
2-Pentylfuran	19602	Click to see CCCCCC1=CC=CO1	138.21	unknown	via CMAUP database
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / Xanthines
Caffeine	2519	Click to see CN1C=NC2=C1C(=O)N(C(=O)N2C)C	194.19	unknown	https://doi.org/10.1016/S0031-9422(99)00119-3
Paraxanthine	4687	Click to see CN1C=NC2=C1C(=O)N(C(=O)N2)C	180.16	unknown	https://doi.org/10.1016/S0031-9422(99)00119-3
> Organoheterocyclic compounds / Indoles and derivatives / Carbazoles
Tubastrindole H	102406417	Click to see CN1C(=O)C2(CC3=C(C4(C2C5=CNC6=CC=CC=C65)C(=O)N(C(=O)N4C)C)NC7=CC=CC=C37)N(C1=O)C	510.50	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indoles
Indole	798	Click to see C1=CC=C2C(=C1)C=CN2	117.15	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.07.031
> Organoheterocyclic compounds / Indoles and derivatives / Pyridoindoles / Beta carbolines
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate	3288669	Click to see C1C([NH2+]CC2=C1C3=CC=CC=C3N2)C(=O)[O-]	216.24	unknown	via CMAUP database
> Organoheterocyclic compounds / Isoquinolines and derivatives / Benzylisoquinolines
L-(-)-N-norarmepavine	6999736	Click to see COC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)O)OC	299.40	unknown	via CMAUP database
> Organoheterocyclic compounds / Lactones / Delta valerolactones
(5R,7R)-5-[(S)-furan-3-yl(hydroxy)methyl]-5,7,11,11-tetramethyl-8,15-dioxospiro[12,16-dioxatetracyclo[8.7.0.01,13.02,7]heptadecane-6,3'-oxirane]-2'-carboxylic acid	101359991	Click to see CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC(C35C(O5)C(=O)O)(C)C(C6=COC=C6)O)C)C	488.50	unknown	https://doi.org/10.1016/S0031-9422(00)83448-2
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
2H-Indeno[1,2-b]furan-2-one, 3,3a,4,5,6,7,8,8b-octahydro-8,8-dimethyl	605626	Click to see CC1(CCCC2=C1C3C(C2)CC(=O)O3)C	206.28	unknown	via CMAUP database
> Organoheterocyclic compounds / Naphthofurans
9b-(2-Carboxy-1-hydroxyethyl)-7-[furan-3-yl(hydroxy)methyl]-3,3,5a,7-tetramethyl-5-oxospiro[1,3a,4,8,9,9a-hexahydrobenzo[e][2]benzofuran-6,3'-oxirane]-2'-carboxylic acid	162818618	Click to see CC1(C2CC(=O)C3(C(C2(CO1)C(CC(=O)O)O)CCC(C34C(O4)C(=O)O)(C)C(C5=COC=C5)O)C)C	506.50	unknown	https://doi.org/10.1271/NOGEIKAGAKU1924.66.31
> Organoheterocyclic compounds / Naphthopyrans
(7alpha,10beta)-1(10->19)-Abeo-7-acetoxyisoobacun-3,10-olide	131751661	Click to see CC(=O)OC1CC2C(OC3CC(=O)OC2(C3)C4C1(C56C(O5)C(=O)OC(C6(CC4)C)C7=COC=C7)C)(C)C	514.60	unknown	https://doi.org/10.1016/0031-9422(80)80191-9
[(1S,2S,5S,6S,9S,11R,12S,13R,15S,18R)-6-(furan-3-yl)-5,12,16,16-tetramethyl-8,20-dioxo-7,10,17,21-tetraoxahexacyclo[16.3.1.01,15.02,12.05,11.09,11]docosan-13-yl] acetate	162891866	Click to see CC(=O)OC1CC2C(OC3CC(=O)OC2(C3)C4C1(C56C(O5)C(=O)OC(C6(CC4)C)C7=COC=C7)C)(C)C	514.60	unknown	https://doi.org/10.1016/0031-9422(80)80191-9
[(2S,4Z,9S,11R,12S,13R,15S,18S,19S)-18-(furan-3-yl)-8,8,12,19-tetramethyl-6,16-dioxo-7,14,17-trioxapentacyclo[10.9.0.02,9.013,15.013,19]henicosa-1(21),4-dien-11-yl] acetate	163190460	Click to see CC(=O)OC1CC2C(CC=CC(=O)OC2(C)C)C3=CCC4(C(OC(=O)C5C4(C13C)O5)C6=COC=C6)C	496.50	unknown	https://doi.org/10.1016/0031-9422(80)80191-9
[18-(Furan-3-yl)-8,8,12,19-tetramethyl-6,16-dioxo-7,14,17-trioxapentacyclo[10.9.0.02,9.013,15.013,19]henicosa-1(21),4-dien-11-yl] acetate	163017712	Click to see CC(=O)OC1CC2C(CC=CC(=O)OC2(C)C)C3=CCC4(C(OC(=O)C5C4(C13C)O5)C6=COC=C6)C	496.50	unknown	https://doi.org/10.1016/0031-9422(80)80191-9
> Organoheterocyclic compounds / Oxanes
1b,5,5,6a-Tetramethyl-octahydro-1-oxa-cyclopropa[a]inden-6-one	534400	Click to see CC1(CCCC2(C1C(=O)C3(C2O3)C)C)C	208.30	unknown	via CMAUP database
2-(7-Heptadecynyloxy)tetrahydro-2H-pyran	543312	Click to see CCCCCCCCCC#CCCCCCCOC1CCCCO1	336.60	unknown	via CMAUP database
Eucalyptol	2758	Click to see CC1(C2CCC(O1)(CC2)C)C	154.25	unknown	via CMAUP database
Linalool oxide pyranoid, trans-(+)-	6428300	Click to see CC1(C(CCC(O1)(C)C=C)O)C	170.25	unknown	via CMAUP database
> Organoheterocyclic compounds / Oxepanes
(+)-cis-Limonene 1,2-epoxide	6432653	Click to see CC(=C)C1CCC2(C(C1)O2)C	152.23	unknown	via CMAUP database
(+)-trans-Limonene oxide	449290	Click to see CC(=C)C1CCC2(C(C1)O2)C	152.23	unknown	via CMAUP database
(1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane	6857487	Click to see CC(=C)C1CCC2(C(C1)O2)C	152.23	unknown	via CMAUP database
Carvone oxide	11030188	Click to see CC(=C)C1CC2C(O2)(C(=O)C1)C	166.22	unknown	via CMAUP database
Limonene oxide	91496	Click to see CC(=C)C1CCC2(C(C1)O2)C	152.23	unknown	via CMAUP database
Limonene oxide, (-)-	10953718	Click to see CC(=C)C1CCC2(C(C1)O2)C	152.23	unknown	via CMAUP database
Limonene oxide, cis-	6432449	Click to see CC(=C)C1CCC2(C(C1)O2)C	152.23	unknown	via CMAUP database
Limonene oxide, cis-(-)-	6452061	Click to see CC(=C)C1CCC2(C(C1)O2)C	152.23	unknown	via CMAUP database
Limonene oxide, trans-(-)-	8029780	Click to see CC(=C)C1CCC2(C(C1)O2)C	152.23	unknown	via CMAUP database
Limonene-1,2-epoxide	441245	Click to see CC(=C)C1CCC2(C(C1)O2)C	152.23	unknown	via CMAUP database
r-Limonene	91691547	Click to see CC(=C)C1CCC2(OC(C1)OO2)C	184.23	unknown	via CMAUP database
> Organoheterocyclic compounds / Oxolanes
Isophilippinolide A	11210739	Click to see CCCCCCCCCCCCCCCCCC=C1C(C(=C)OC1=O)O	364.60	unknown	via CMAUP database
> Organoheterocyclic compounds / Piperidines
(2R,3R,6R)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-3-methoxy-1,2-dimethylpiperidine	11623265	Click to see CCCCC=CC=CC=CC1CCC(C(N1C)C)OC	277.40	unknown	via CMAUP database
> Organoheterocyclic compounds / Piperidines / Phenylpiperidines
2-(2-Azepan-1-yl-2-oxoethyl)-1-hydroxy-1-phenyl-octahydro-pyrido[1,2-a]azepin-4-one	544209	Click to see C1CCCN(CC1)C(=O)CC2CC(=O)N3CCCCCC3C2(C4=CC=CC=C4)O	398.50	unknown	via CMAUP database
> Organoheterocyclic compounds / Pteridines and derivatives / Pterins and derivatives / Pterin carboxylates
2-amino-4-hydroxypteridine-6-carboxylic acid	5320887	Click to see C1=C(N=C2C(=N1)N=C(N=C2O)N)C(=O)O	207.15	unknown	via CMAUP database
> Organoheterocyclic compounds / Pyrrolizidines / Pyrrolizidinones
Pyrrolizidine-3-one-5-ol, ethyl ether	544423	Click to see CCOC1CCC2N1C(=O)CC2	169.22	unknown	via CMAUP database
> Organoheterocyclic compounds / Quinolines and derivatives / Benzoquinolines / Acridines / Acridones
(1S,2R)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-1-(1-hydroxy-3,5,6-trimethoxy-10-methyl-9-oxoacridin-2-yl)-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one	15380806	Click to see CC(C)(C1C(C2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4O)C)O)C5=C(C=C6C(=C5O)C(=O)C7=C(N6C)C(=C(C=C7)OC)OC)OC)O	654.70	unknown	https://doi.org/10.3987/COM-98-8457
(1S,2R)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-1-(1-hydroxy-3,5,6-trimethoxy-9-oxo-10H-acridin-2-yl)-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one	101932106	Click to see CC(C)(C1C(C2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4O)C)O)C5=C(C=C6C(=C5O)C(=O)C7=C(N6)C(=C(C=C7)OC)OC)OC)O	640.60	unknown	https://doi.org/10.1248/CPB.43.1340 https://doi.org/10.1248/CPB.42.1548
(3R)-8-hydroxy-3-[(E)-2-(7-hydroxy-2-oxochromen-8-yl)ethenyl]-10-methoxy-3,12-dimethyl-2H-[1,4]dioxino[2,3-c]acridin-7-one	163188888	Click to see CC1(COC2=C(O1)C=CC3=C2N(C4=C(C3=O)C(=CC(=C4)OC)O)C)C=CC5=C(C=CC6=C5OC(=O)C=C6)O	513.50	unknown	https://doi.org/10.1248/CPB.44.804
1-hydroxy-3,5,6-trimethoxy-10H-acridin-9-one	13965868	Click to see COC1=C(C2=C(C=C1)C(=O)C3=C(N2)C=C(C=C3O)OC)OC	301.29	unknown	https://doi.org/10.1248/CPB.44.804
1-hydroxy-3,5,6-trimethoxy-2-[(1R)-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10-methylacridin-9-one	163022846	Click to see CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C4C(=C3O)C(=O)C5=C(N4C)C(=C(C=C5)OC)OC)OC)C	557.60	unknown	https://doi.org/10.1248/CPB.44.804
1-hydroxy-3,5,6-trimethoxy-2-[(1R)-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10H-acridin-9-one	162910068	Click to see CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C4C(=C3O)C(=O)C5=C(N4)C(=C(C=C5)OC)OC)OC)C	543.60	unknown	https://doi.org/10.1248/CPB.44.804
1-hydroxy-3,5,6-trimethoxy-2-[1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10H-acridin-9-one	14192331	Click to see CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C4C(=C3O)C(=O)C5=C(N4)C(=C(C=C5)OC)OC)OC)C	543.60	unknown	https://doi.org/10.1248/CPB.44.804
1-hydroxy-3,5,6-trimethoxy-4-[(1R)-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10H-acridin-9-one	163190064	Click to see CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C(C4=C3NC5=C(C4=O)C=CC(=C5OC)OC)O)OC)C	543.60	unknown	https://doi.org/10.1248/CPB.44.804
1-hydroxy-3,5,6-trimethoxy-4-[1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10H-acridin-9-one	14886045	Click to see CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C(C4=C3NC5=C(C4=O)C=CC(=C5OC)OC)O)OC)C	543.60	unknown	https://doi.org/10.1248/CPB.44.804
1-hydroxy-4-[(4S)-5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl]-3,5,6-trimethoxy-10H-acridin-9-one	163017887	Click to see CC1(CC(C2=C(O1)C(=C3C(=C2O)C=CC(=O)O3)C(C)(C)C=C)C4=C(C=C(C5=C4NC6=C(C5=O)C=CC(=C6OC)OC)O)OC)C	613.70	unknown	https://doi.org/10.1248/CPB.44.804
1-hydroxy-4-[(4S)-5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl]-3,5,6-trimethoxy-10H-acridin-9-one	163186765	Click to see CC1(CC(C2=C(O1)C(=C3C(=C2O)C=C(C(=O)O3)C(C)(C)C=C)C(C)(C)C=C)C4=C(C=C(C5=C4NC6=C(C5=O)C=CC(=C6OC)OC)O)OC)C	681.80	unknown	https://doi.org/10.1248/CPB.44.804
1-hydroxy-4-[(8R,9R)-8-(2-hydroxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl]-3,5,6-trimethoxy-10-methylacridin-9-one	163027316	Click to see CC(C)(C1C(C2=C(O1)C=CC3=C2OC(=O)C=C3)C4=C(C=C(C5=C4N(C6=C(C5=O)C=CC(=C6OC)OC)C)O)OC)O	559.60	unknown	https://doi.org/10.1248/CPB.46.1518
1-hydroxy-5-[[(9R,10R)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl]oxy]-3,6-dimethoxy-10H-acridin-9-one	163187010	Click to see CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC4=C(C=CC5=C4NC6=C(C5=O)C(=CC(=C6)OC)O)OC)O)C	531.50	unknown	https://doi.org/10.1248/CPB.46.1518
1,3-dihydroxy-N-methylacridone	5282066	Click to see CN1C2=CC=CC=C2C(=O)C3=C1C=C(C=C3O)O	241.24	unknown	https://doi.org/10.1248/CPB.44.804
1,3,5-Trihydroxy-10-methylacridone	10515286	Click to see CN1C2=C(C(=CC(=C2)O)O)C(=O)C3=C1C(=CC=C3)O	257.24	unknown	https://doi.org/10.1248/CPB.44.804
1,5-dihydroxy-3-methoxy-2-[(1S)-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10-methylacridin-9-one	162988664	Click to see CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C4C(=C3O)C(=O)C5=C(N4C)C(=CC=C5)O)OC)C	513.50	unknown	https://doi.org/10.1248/CPB.44.804
1,5-dihydroxy-4-[(2R)-2-hydroxy-3-methylbut-3-enyl]-3-methoxy-10-methylacridin-9-one	162895534	Click to see CC(=C)C(CC1=C(C=C(C2=C1N(C3=C(C2=O)C=CC=C3O)C)O)OC)O	355.40	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.3987/COM-94-S(B)30
1,6-dihydroxy-3,5-dimethoxy-10H-acridin-9-one	162920003	Click to see COC1=CC2=C(C(=C1)O)C(=O)C3=C(N2)C(=C(C=C3)O)OC	287.27	unknown	https://doi.org/10.1248/CPB.44.804
1,6-dihydroxy-3,5-dimethoxy-2-[(1S)-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10-methylacridin-9-one	162985512	Click to see CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C4C(=C3O)C(=O)C5=C(N4C)C(=C(C=C5)O)OC)OC)C	543.60	unknown	https://doi.org/10.1248/CPB.44.804
1,6-dihydroxy-3,5-dimethoxy-2-[(1S)-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10H-acridin-9-one	163187596	Click to see CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C4C(=C3O)C(=O)C5=C(N4)C(=C(C=C5)O)OC)OC)C	529.50	unknown	https://doi.org/10.1248/CPB.44.804
1,6-dihydroxy-3,5-dimethoxy-2-[1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10H-acridin-9-one	14886046	Click to see CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C4C(=C3O)C(=O)C5=C(N4)C(=C(C=C5)O)OC)OC)C	529.50	unknown	https://doi.org/10.1248/CPB.44.804
1,6-dihydroxy-3,5-dimethoxy-4-[(1S)-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10H-acridin-9-one	163043682	Click to see CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C(C4=C3NC5=C(C4=O)C=CC(=C5OC)O)O)OC)C	529.50	unknown	https://doi.org/10.1248/CPB.44.804
1,6-dihydroxy-3,5-dimethoxy-4-[1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10H-acridin-9-one	14192332	Click to see CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C(C4=C3NC5=C(C4=O)C=CC(=C5OC)O)O)OC)C	529.50	unknown	https://doi.org/10.1248/CPB.44.804
1,6-dihydroxy-4-[(4S)-5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl]-3,5-dimethoxy-10H-acridin-9-one	163023107	Click to see CC1(CC(C2=C(O1)C(=C3C(=C2O)C=C(C(=O)O3)C(C)(C)C=C)C(C)(C)C=C)C4=C(C=C(C5=C4NC6=C(C5=O)C=CC(=C6OC)O)O)OC)C	667.70	unknown	https://doi.org/10.1248/CPB.44.804
1,6-dihydroxy-5-[[(9S,10R)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl]oxy]-3-methoxy-10H-acridin-9-one	163187007	Click to see CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC4=C(C=CC5=C4NC6=C(C5=O)C(=CC(=C6)OC)O)O)O)C	517.50	unknown	https://doi.org/10.1248/CPB.46.1518
11-Hydroxynoracronycine	5378702	Click to see CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4O)C)O)C	323.30	unknown	https://doi.org/10.1248/CPB.44.804
5-[5,9-Dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1,2-dihydrofuro[2,3-c]acridin-1-yl]-6,10-dihydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one	131753144	Click to see CC1(C=CC2=C3C(=C(C(=C2O1)C4C(OC5=C4C6=C(C(=C5)O)C(=O)C7=C(N6C)C(=C(C=C7)O)OC)C(C)(C)O)O)C(=O)C8=C(N3C)C(=C(C=C8)O)OC)C	722.70	unknown	https://doi.org/10.3987/COM-95-S12
6-Hydroxy-10,11-dimethoxy-3,3,12-trimethyl-pyrano[2,3-c]acridin-7-one	5494832	Click to see CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4OC)OC)C)O)C	367.40	unknown	https://doi.org/10.1248/CPB.44.804
6-hydroxy-11-[[(9R,10R)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl]oxy]-3,3,12-trimethylpyrano[2,3-c]acridin-7-one	101425103	Click to see CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4OC5C(C(OC6=C5C7=C(C=C6)C=CC(=O)O7)(C)C)O)C)O)C	567.60	unknown	https://doi.org/10.1248/CPB.46.1518
6,10-Dihydroxy-11-[(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl)oxy]-3,3,12-trimethylpyrano[2,3-c]acridin-7-one	163068821	Click to see CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4OC5C(C(OC6=C5C7=C(C=C6)C=CC(=O)O7)(C)C)O)O)C)O)C	583.60	unknown	https://doi.org/10.1248/CPB.44.804
6,10-dihydroxy-11-[[(9S,10R)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl]oxy]-3,3,12-trimethylpyrano[2,3-c]acridin-7-one	163068823	Click to see CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4OC5C(C(OC6=C5C7=C(C=C6)C=CC(=O)O7)(C)C)O)O)C)O)C	583.60	unknown	https://doi.org/10.1248/CPB.44.804
6,10-dihydroxy-11-methoxy-5-[(1S)-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-3,3,12-trimethylpyrano[2,3-c]acridin-7-one	162970140	Click to see CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C4C(=C5C(=C3O)C(=O)C6=C(N5C)C(=C(C=C6)O)OC)C=CC(O4)(C)C)C	595.60	unknown	https://doi.org/10.1248/CPB.44.804
6,11-dihydroxy-5-[(1S)-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-3,3,12-trimethylpyrano[2,3-c]acridin-7-one	163047538	Click to see CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C4C(=C5C(=C3O)C(=O)C6=C(N5C)C(=CC=C6)O)C=CC(O4)(C)C)C	565.60	unknown	https://doi.org/10.1248/CPB.44.804
7H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6-hydroxy-3,3-dimethyl-	5479541	Click to see CC1(C=CC2=C(O1)C=C(C3=C2NC4=CC=CC=C4C3=O)O)C	293.30	unknown	via CMAUP database
7H-Pyrano[2,3-c]acridin-7-one, 11-[[(9R,10R)-9,10-dihydro-9-hydroxy-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-10-yl]oxy]-3,12-dihydro-6-hydroxy-3,3,12-trimethyl-, rel-(+)-	162907000	Click to see CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4OC5C(C(OC6=C5C7=C(C=C6)C=CC(=O)O7)(C)C)O)C)O)C	567.60	unknown	https://doi.org/10.3987/COM-98-8457
8-hydroxy-3-[2-(7-hydroxy-2-oxochromen-8-yl)ethenyl]-10-methoxy-3,12-dimethyl-2H-[1,4]dioxino[2,3-c]acridin-7-one	163040571	Click to see CC1(COC2=C(O1)C=CC3=C2N(C4=C(C3=O)C(=CC(=C4)OC)O)C)C=CC5=C(C=CC6=C5OC(=O)C=C6)O	513.50	unknown	https://doi.org/10.1248/CPB.44.804
9(10H)-Acridinone, 4-[3,10-bis(1,1-dimethyl-2-propenyl)-7,8-dihydro-5-hydroxy-8,8-dimethyl-2-oxo-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-yl]-1-hydroxy-3,5,6-trimethoxy-	131752804	Click to see CC1(CC(C2=C(O1)C(=C3C(=C2O)C=C(C(=O)O3)C(C)(C)C=C)C(C)(C)C=C)C4=C(C=C(C5=C4NC6=C(C5=O)C=CC(=C6OC)OC)O)OC)C	681.80	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.3987/COM-92-6292
9(10H)-Acridinone, 5-[(9,10-dihydro-9-hydroxy-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-10-yl)oxy]-1-hydroxy-3-methoxy-10-methyl-, cis-(+)-	15813458	Click to see CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC4=CC=CC5=C4N(C6=C(C5=O)C(=CC(=C6)OC)O)C)O)C	515.50	unknown	https://doi.org/10.3987/COM-97-7833
9(10H)-Acridinone, 5-[(9,10-dihydro-9-hydroxy-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-10-yl)oxy]-1,6-dihydroxy-3-methoxy-10-methyl-, cis-(+)-	15813457	Click to see CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC4=C(C=CC5=C4N(C6=C(C5=O)C(=CC(=C6)OC)O)C)O)O)C	531.50	unknown	https://doi.org/10.3987/COM-97-7833
9(10H)-Acridinone, 5-[[(9R,10R)-9,10-dihydro-9-hydroxy-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-10-yl]oxy]-1-hydroxy-3,6-dimethoxy-, rel-(-)-	163013125	Click to see CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC4=C(C=CC5=C4NC6=C(C5=O)C(=CC(=C6)OC)O)OC)O)C	531.50	unknown	https://doi.org/10.1248/CPB.46.1518
Acrimarine F	5491701	Click to see CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C4C(=C3O)C(=O)C5=C(N4C)C(=C(C=C5)O)OC)OC)C	543.60	unknown	https://doi.org/10.1248/CPB.44.804
Acrimarine H	14702537	Click to see CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C4C(=C3O)C(=O)C5=C(N4C)C(=CC=C5)O)OC)C	513.50	unknown	https://doi.org/10.1248/CPB.44.804
Acrimarine I	102145465	Click to see CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C4C(=C5C(=C3O)C(=O)C6=C(N5C)C(=CC=C6)O)C=CC(O4)(C)C)C	565.60	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.3987/COM-92-6167
Acrimarine J	131752805	Click to see CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C4C(=C5C(=C3O)C(=O)C6=C(N5C)C(=C(C=C6)O)OC)C=CC(O4)(C)C)C	595.60	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.3987/COM-92-6167
Acrimarine N	131752938	Click to see CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C4C(=C3O)C(=O)C5=C(N4C)C(=C(C=C5)OC)OC)OC)C	557.60	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.3987/COM-94-6789
Citbismine A	131753020	Click to see CC(C)(C1C(C2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4O)C)O)C5=C(C=C6C(=C5O)C(=O)C7=C(N6)C(=C(C=C7)OC)OC)OC)O	640.60	unknown	https://doi.org/10.1248/CPB.43.1340 https://doi.org/10.1248/CPB.42.1548
Citbismine C	85149847	Click to see CC(C)(C1C(C2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4OC)O)C)O)C5=C(C=C6C(=C5O)C(=O)C7=C(N6C)C(=C(C=C7)OC)OC)OC)O	684.70	unknown	https://doi.org/10.1248/CPB.43.1340
Citbismine D	101687545	Click to see CC1(C=CC2=C3C(=C(C(=C2O1)C4C(OC5=C4C6=C(C(=C5)O)C(=O)C7=C(N6C)C(=C(C=C7)O)OC)C(C)(C)O)O)C(=O)C8=C(N3C)C(=C(C=C8)O)OC)C	722.70	unknown	https://doi.org/10.3987/COM-95-S12
Citbismine E	101687546	Click to see CC(C)(C1C(C2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4OC)O)C)O)C5=C(C=C6C(=C5O)C(=O)C7=C(N6C)C(=C(C=C7)O)OC)OC)O	670.70	unknown	https://doi.org/10.3987/COM-95-S12
Citbismine F	73193398	Click to see CC(C)(C1C(C2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4O)C)O)C5=C(C=C6C(=C5O)C(=O)C7=C(N6C)C(=C(C=C7)OC)OC)OC)O	654.70	unknown	https://doi.org/10.3987/COM-98-8457
Citpressine I	5494827	Click to see CN1C2=C(C(=CC(=C2)OC)O)C(=O)C3=C1C(=C(C=C3)O)OC	301.29	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.1248/CPB.41.1657
citpressine II	5494828	Click to see CN1C2=C(C(=CC(=C2)OC)O)C(=O)C3=C1C(=C(C=C3)OC)OC	315.32	unknown	https://doi.org/10.1248/CPB.44.804
citracridone I	5487591	Click to see CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4OC)O)C)O)C	353.40	unknown	https://doi.org/10.1248/CPB.41.1657 https://doi.org/10.1248/CPB.44.804
Citracridone III	5465517	Click to see CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4O)O)C)O)C	339.30	unknown	https://doi.org/10.1248/CPB.44.804
Citramine	85583910	Click to see CN1C2=CC(=C(C(=C2C(=O)C3=C1C(=C(C=C3)O)OC)O)OC)O	317.29	unknown	https://doi.org/10.1248/CPB.44.804
Citrusamine	14038956	Click to see CN1C2=C(C(=CC(=C2)OC)O)C(=O)C3=C1C(=CC=C3)O	271.27	unknown	https://doi.org/10.1248/CPB.44.804
Citrusinine I	5487772	Click to see CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C=C3O)OC)OC	301.29	unknown	https://doi.org/10.1248/CPB.44.804
Citrusinine II	10016895	Click to see CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C=C3O)O)OC	287.27	unknown	https://doi.org/10.1248/CPB.44.804
Dioxinoacrimarine A	131752932	Click to see CC1(COC2=C(O1)C=CC3=C2N(C4=C(C3=O)C(=CC(=C4)OC)O)C)C=CC5=C(C=CC6=C5OC(=O)C=C6)O	513.50	unknown	https://doi.org/10.3987/COM-94-6789
Furoparadine	101680139	Click to see CN1C2=C(C=CC(=C2OC)O)C(=O)C3=C1C4=C(C=C3O)OC=C4	311.29	unknown	https://doi.org/10.3987/COM-94-6932
Glycocitrine I	11724762	Click to see CC(=CCC1=C(C=C(C2=C1N(C3=C(C2=O)C=CC=C3O)C)O)OC)C	339.40	unknown	https://doi.org/10.1248/CPB.44.804
Grandisinine	13965866	Click to see CC(=CCC1=C(C=C(C2=C1N(C3=C(C2=O)C=CC(=C3OC)O)C)O)OC)C	369.40	unknown	https://doi.org/10.1248/CPB.44.804
Margrapine A	102003358	Click to see CC1(C(O1)C(C2=C(C=C(C3=C2N(C4=C(C3=O)C=CC(=C4OC)O)C)O)OC)O)C	401.40	unknown	https://doi.org/10.3987/COM-96-7579
Margrapine B	102003359	Click to see CC1(C(O1)C(C2=C(C=C(C3=C2N(C4=C(C3=O)C=CC(=C4OC)OC)C)O)OC)O)C	415.40	unknown	https://doi.org/10.3987/COM-96-7579
Marshdine	131753041	Click to see CN1C2=C(C(=CC(=C2)OC)O)C(=O)C3=C1C4=C(C=C3)OCO4	299.28	unknown	https://doi.org/10.3987/COM-94-S(B)30
Marshmine	101696941	Click to see CC(=C)C(CC1=C(C=C(C2=C1N(C3=C(C2=O)C=CC=C3O)C)O)OC)O	355.40	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.3987/COM-94-S(B)30
Neoacrimarine B	102277789	Click to see CC1(CC(C2=C(O1)C(=C3C(=C2O)C=C(C(=O)O3)C(C)(C)C=C)C(C)(C)C=C)C4=C(C=C(C5=C4NC6=C(C5=O)C=CC(=C6OC)O)O)OC)C	667.70	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.3987/COM-92-6292
Neoacrimarine E	102149716	Click to see CC1(CC(C2=C(O1)C(=C3C(=C2O)C=CC(=O)O3)C(C)(C)C=C)C4=C(C=C(C5=C4NC6=C(C5=O)C=CC(=C6OC)OC)O)OC)C	613.70	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.3987/COM-94-6789
Neoacrimarine F	131751137	Click to see CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC4=C(C=CC5=C4N(C6=C(C5=O)C(=CC(=C6)OC)O)C)O)O)C	531.50	unknown	https://doi.org/10.3987/COM-97-7833
Neoacrimarine G	131751141	Click to see CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC4=CC=CC5=C4N(C6=C(C5=O)C(=CC(=C6)OC)O)C)O)C	515.50	unknown	https://doi.org/10.3987/COM-97-7833
Neoacrimarine H	10507216	Click to see CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4OC5C(C(OC6=C5C7=C(C=C6)C=CC(=O)O7)(C)C)O)C)O)C	567.60	unknown	https://doi.org/10.3987/COM-94-6789 https://doi.org/10.1248/CPB.46.1518
Neoacrimarine I	10697534	Click to see CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC4=C(C=CC5=C4NC6=C(C5=O)C(=CC(=C6)OC)O)OC)O)C	531.50	unknown	https://doi.org/10.3987/COM-94-6789 https://doi.org/10.1248/CPB.46.1518
Neoacrimarine J	10506059	Click to see CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC4=C(C=CC5=C4NC6=C(C5=O)C(=CC(=C6)OC)O)O)O)C	517.50	unknown	https://doi.org/10.3987/COM-94-6789 https://doi.org/10.1248/CPB.46.1518
Neoacrimarine K	10626660	Click to see CC(C)(C1C(C2=C(O1)C=CC3=C2OC(=O)C=C3)C4=C(C=C(C5=C4N(C6=C(C5=O)C=CC(=C6OC)OC)C)O)OC)O	559.60	unknown	https://doi.org/10.3987/COM-94-6789 https://doi.org/10.1248/CPB.46.1518
Pummeline	10468408	Click to see CN1C2=C(C=CC(=C2)O)C(=O)C3=C1C=C(C=C3O)OC	271.27	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.1055/S-2006-958104
rel-(1R,2S)-1-(9,10-Dihydro-1-hydroxy-3,5,6-trimethoxy-9-oxo-2-acridinyl)-1,11-dihydro-5,9-dihydroxy-2-(1-hydroxy-1-methylethyl)-10-methoxy-11-methylfuro[2,3-c]acridin-6(2H)-one	10439455	Click to see CC(C)(C1C(C2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4OC)O)C)O)C5=C(C=C6C(=C5O)C(=O)C7=C(N6)C(=C(C=C7)OC)OC)OC)O	670.70	unknown	https://doi.org/10.1248/CPB.43.1340
> Organoheterocyclic compounds / Quinolines and derivatives / Quinolones and derivatives / Hydroquinolones
(7R)-7-acetyl-1,7-dihydroxy-3-methoxy-5,6-dihydrocyclohepta[b]quinoline-8,11-dione	163189515	Click to see CC(=O)C1(CC2=C(C=CC1=O)C(=O)C3=C(N2)C=C(C=C3O)OC)O	329.30	unknown	https://doi.org/10.1248/CPB.44.804
7-Acetyl-1,7-dihydroxy-3-methoxy-5,6-dihydrocyclohepta[b]quinoline-8,11-dione	14684558	Click to see CC(=O)C1(CC2=C(C=CC1=O)C(=O)C3=C(N2)C=C(C=C3O)OC)O	329.30	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.1248/CPB.38.1881 https://doi.org/10.1248/CPB.41.1657
> Organoheterocyclic compounds / Tetrahydrofurans
Linalool oxide	22310	Click to see CC1(CCC(O1)C(C)(C)O)C=C	170.25	unknown	via CMAUP database
trans-Linalool oxide	6432254	Click to see CC1(CCC(O1)C(C)(C)O)C=C	170.25	unknown	via CMAUP database
> Organoheterocyclic compounds / Thianes
(1S,4R,6R)-3,3,6-trimethyl-2-thiabicyclo[2.2.2]octane	163075062	Click to see CC1CC2CCC1SC2(C)C	170.32	unknown	https://doi.org/10.1002/HLCA.19820650614
3,3,6-Trimethyl-2-thiabicyclo[2.2.2]octane	163075061	Click to see CC1CC2CCC1SC2(C)C	170.32	unknown	https://doi.org/10.1002/HLCA.19820650614
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
(2S,3R,10S,18R)-3,11,19-tris(4-hydroxyphenyl)-7-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-20-oxahexacyclo[16.6.1.02,10.04,9.012,17.021,25]pentacosa-1(25),4(9),5,7,12(17),13,15,21,23-nonaene-5,13,15,23-tetrol	101253014	Click to see C1=CC(=CC=C1C2C3C(C(C4=C(C=C(C=C4O)O)C5C(OC6=CC(=CC3=C56)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=C2C(=CC(=C9)OC1C(C(C(C(O1)CO)O)O)O)O)O	842.80	unknown	https://doi.org/10.1248/CPB.41.1657
Dihydrodehydroconiferyl alcohol, (7R,8S)-(-)-	5274623	Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CCCO	360.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives
7-Methoxy-6-(3-oxobut-1-enyl)chromen-2-one	71437262	Click to see CC(=O)C=CC1=C(C=C2C(=C1)C=CC(=O)O2)OC	244.24	unknown	https://doi.org/10.1248/CPB.44.804
7-Methoxy-8-(3-oxobut-1-enyl)chromen-2-one	71434712	Click to see CC(=O)C=CC1=C(C=CC2=C1OC(=O)C=C2)OC	244.24	unknown	https://doi.org/10.1248/CPB.44.804
7-Methoxy-8-[(E)-3-oxo-1-butenyl]-2H-1-benzopyran-2-one	13917410	Click to see CC(=O)C=CC1=C(C=CC2=C1OC(=O)C=C2)OC	244.24	unknown	https://doi.org/10.1248/CPB.44.804
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acids
Cinnamic acid	444539	Click to see C1=CC=C(C=C1)C=CC(=O)O	148.16	unknown	via CMAUP database
cis-Cinnamic acid	5372954	Click to see C1=CC=C(C=C1)C=CC(=O)O	148.16	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acid esters / Coumaric acid esters
2-(4-Hydroxyphenyl)ethyl 3-(4-hydroxyphenyl)prop-2-enoate	86163337	Click to see C1=CC(=CC=C1CCOC(=O)C=CC2=CC=C(C=C2)O)O	284.31	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoic acid	709	Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O	194.18	unknown	https://doi.org/10.1016/S0308-8146(03)00127-4
3'-Hydroxycinnamic acid	637541	Click to see C1=CC(=CC(=C1)O)C=CC(=O)O	164.16	unknown	via CMAUP database
4-Hydroxycinnamic acid	322	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	https://doi.org/10.1016/S0308-8146(03)00127-4
Caffeic Acid	689043	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	https://doi.org/10.1016/S0308-8146(03)00127-4
cis-Caffeic acid	1549111	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	via CMAUP database
cis-p-Coumaric acid	1549106	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	via CMAUP database
cis-Sinapic acid	1549091	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O	224.21	unknown	via CMAUP database
Ferulic acid	445858	Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O	194.18	unknown	https://doi.org/10.1016/S0308-8146(03)00127-4
p-Coumaric acid	637542	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	https://doi.org/10.1016/S0308-8146(03)00127-4
Sinapic acid	10743	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O	224.21	unknown	https://doi.org/10.1016/S0308-8146(03)00127-4
Sinapinic acid	637775	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O	224.21	unknown	https://doi.org/10.1016/S0308-8146(03)00127-4
> Phenylpropanoids and polyketides / Coumarins and derivatives
(R)-Marmin	5964600	Click to see CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC(C(C)(C)O)O	332.40	unknown	via CMAUP database
(R)-Meranzin	3819217	Click to see CC1(C(O1)CC2=C(C=CC3=C2OC(=O)C=C3)OC)C	260.28	unknown	https://doi.org/10.1021/JF950183M
2H-1-Benzopyran-2-one, 6-[(3,3-dimethyloxiranyl)carbonyl]-7-methoxy-, (-)-	609122	Click to see CC1(C(O1)C(=O)C2=C(C=C3C(=C2)C=CC(=O)O3)OC)C	274.27	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.1248/CPB.41.1657
5,7-Dimethoxycoumarin	2775	Click to see COC1=CC2=C(C=CC(=O)O2)C(=C1)OC	206.19	unknown	https://doi.org/10.1021/JF990155U
6-(2-Hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one	14886049	Click to see CC(=C)C(CC1=C(C=C2C(=C1)C=CC(=O)O2)OC)O	260.28	unknown	https://doi.org/10.1248/CPB.44.804
6-(3-Hydroxy-3-methylbut-1-enyl)-7-methoxychromen-2-one	87695	Click to see CC(C)(C=CC1=C(C=C2C(=C1)C=CC(=O)O2)OC)O	260.28	unknown	https://doi.org/10.1248/CPB.44.804
6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-7-methoxychromen-2-one	71721987	Click to see CC(=C)C(CC1=C(C=C2C(=C1)C=CC(=O)O2)OC)O	260.28	unknown	https://doi.org/10.1248/CPB.44.804
6-[(2S)-3,3-dimethyloxirane-2-carbonyl]-7-methoxychromen-2-one	163010789	Click to see CC1(C(O1)C(=O)C2=C(C=C3C(=C2)C=CC(=O)O3)OC)C	274.27	unknown	https://doi.org/10.1248/CPB.44.804
6-[(3,3-Dimethyloxiran-2-yl)-hydroxymethyl]-7-methoxychromen-2-one	162938536	Click to see CC1(C(O1)C(C2=C(C=C3C(=C2)C=CC(=O)O3)OC)O)C	276.28	unknown	https://doi.org/10.1248/CPB.44.804
6-[(R)-[(2S)-3,3-dimethyloxiran-2-yl]-hydroxymethyl]-7-methoxychromen-2-one	162938538	Click to see CC1(C(O1)C(C2=C(C=C3C(=C2)C=CC(=O)O3)OC)O)C	276.28	unknown	https://doi.org/10.1248/CPB.44.804
6-Formyl-7-methoxycoumarin	160756	Click to see COC1=C(C=C2C=CC(=O)OC2=C1)C=O	204.18	unknown	https://doi.org/10.1248/CPB.44.804
7-methoxy-2-oxo-2H-chromene-8-carbaldehyde	11275724	Click to see COC1=C(C2=C(C=C1)C=CC(=O)O2)C=O	204.18	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.1248/CPB.41.1657
7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)chromen-2-one	44715831	Click to see CC(C)(C(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)O)O	294.30	unknown	https://doi.org/10.1248/CPB.44.804
7-Methoxy-8-(3-oxobutyl)chromen-2-one	14213969	Click to see CC(=O)CCC1=C(C=CC2=C1OC(=O)C=C2)OC	246.26	unknown	https://doi.org/10.1248/CPB.41.1657
7-methoxy-8-[(E)-2-[(1R,2R)-2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one	163190658	Click to see CC1=CC(C(CC1)(C)C=CC2=C(C=CC3=C2OC(=O)C=C3)OC)C4=C(C=C5C(=C4)C=CC(=O)O5)OC	484.50	unknown	https://doi.org/10.1248/CPB.41.1657
7-Methoxy-8-[2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one	163011852	Click to see CC1=CC(C(CC1)(C)C=CC2=C(C=CC3=C2OC(=O)C=C3)OC)C4=C(C=C5C(=C4)C=CC(=O)O5)OC	484.50	unknown	https://doi.org/10.1248/CPB.41.1657
8-(2,3-Dihydroxy-3-methylbutyl)-7-methoxychromen-2-one	5070783	Click to see CC(C)(C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O)O	278.30	unknown	https://doi.org/10.1016/S0031-9422(00)83873-X https://doi.org/10.1021/JF950183M
8-(4-Hydroxy-5-methyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl)-7-methoxychromen-2-one	73193397	Click to see CC12C(O1)C(OC2O)C3=C(C=CC4=C3OC(=O)C=C4)OC	290.27	unknown	https://doi.org/10.3987/COM-98-8457
8-[(1E)-3,4-Dihydroxy-3-methylbut-1-EN-1-YL]-7-methoxychromen-2-one	156495	Click to see CC(CO)(C=CC1=C(C=CC2=C1OC(=O)C=C2)OC)O	276.28	unknown	https://doi.org/10.1248/CPB.44.804
8-[(1S,2S,4R,5S)-4-hydroxy-5-methyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-7-methoxychromen-2-one	162853923	Click to see CC12C(O1)C(OC2O)C3=C(C=CC4=C3OC(=O)C=C4)OC	290.27	unknown	https://doi.org/10.3987/COM-98-8457
8-[(E,3R)-3,4-dihydroxy-3-methylbut-1-enyl]-7-methoxychromen-2-one	124307598	Click to see CC(CO)(C=CC1=C(C=CC2=C1OC(=O)C=C2)OC)O	276.28	unknown	https://doi.org/10.1248/CPB.44.804
8-[3-[(2S,3S,6S)-6-[[(2R,3R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,4-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one	6325929	Click to see CC(C)(C(CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)O)OC3C(C(CC(O3)COC4C(C(CO4)(CO)O)O)(O)O)O	602.60	unknown	via CMAUP database
Alternariol	5359485	Click to see CC1=CC(=CC2=C1C3=C(C(=CC(=C3)O)O)C(=O)O2)O	258.23	unknown	via CMAUP database
Alternariol monomethyl ether	5360741	Click to see CC1=CC(=CC2=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O	272.25	unknown	via CMAUP database
Angelitriol	10017318	Click to see CC(C)(C(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)O)O	294.30	unknown	https://doi.org/10.1248/CPB.44.804
Buntansin A	15627934	Click to see COC1=C(C=C2C=CC(=O)OC2=C1)C(=O)O	220.18	unknown	https://doi.org/10.1248/CPB.44.804
Farnesiferol A	7067262	Click to see CC1(C2CCC(=C)C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)C	382.50	unknown	via CMAUP database
Isomeranzin	473252	Click to see CC(C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OC	260.28	unknown	https://doi.org/10.1021/JF950183M https://doi.org/10.1016/S0031-9422(00)83873-X
Marmin	6450230	Click to see CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC(C(C)(C)O)O	332.40	unknown	https://doi.org/10.1021/NP900266M https://doi.org/10.1248/YAKUSHI1947.116.3_244
Meranzin	1803558	Click to see CC1(C(O1)CC2=C(C=CC3=C2OC(=O)C=C3)OC)C	260.28	unknown	via CMAUP database
Meranzin hydrate	821434	Click to see CC(C)(C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O)O	278.30	unknown	via CMAUP database
Osthol	10228	Click to see CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C	244.28	unknown	https://doi.org/10.1021/JF950183M https://doi.org/10.1021/JF800446T
Scoparone	8417	Click to see COC1=C(C=C2C(=C1)C=CC(=O)O2)OC	206.19	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.1094/PHYTO-78-1678 https://doi.org/10.1248/CPB.41.1657 https://doi.org/10.1021/JF9609542 https://doi.org/10.1016/S0031-9422(00)81162-0
Suberenol	5375166	Click to see CC(C)(C=CC1=C(C=C2C(=C1)C=CC(=O)O2)OC)O	260.28	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.1248/CPB.41.1657
Suberenone	5321539	Click to see CC(=O)C=CC1=C(C=C2C(=C1)C=CC(=O)O2)OC	244.24	unknown	https://doi.org/10.1248/CPB.44.804
Suberosin	68486	Click to see CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)OC)C	244.28	unknown	https://doi.org/10.1248/CPB.41.1657
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Angular furanocoumarins
Pimpinellin	4825	Click to see COC1=C(C2=C(C=CO2)C3=C1C=CC(=O)O3)OC	246.21	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens
(R)-6',7'-Dihydroxybergamottin	156147	Click to see CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)CCC(C(C)(C)O)O	372.40	unknown	https://doi.org/10.1021/NP100531X
4-[(2E)-6-[(E)-3-hydroxy-2,6-dimethyl-8-(7-oxofuro[3,2-g]chromen-4-yl)oxyoct-6-en-2-yl]oxy-3,7-dimethylocta-2,7-dienoxy]furo[3,2-g]chromen-7-one	54584618	Click to see CC(=C)C(CCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)OC(C)(C)C(CCC(=CCOC4=C5C=CC(=O)OC5=CC6=C4C=CO6)C)O	708.80	unknown	https://doi.org/10.1006/ABBI.2000.1835
4-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one	92974545	Click to see CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)CCC4C(O4)(C)C	354.40	unknown	https://doi.org/10.1021/JF800446T
4-[5-(3,3-Dimethyloxiran-2-yl)-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one	85073785	Click to see CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)CCC4C(O4)(C)C	354.40	unknown	https://doi.org/10.1021/JF800446T
Epoxybergamottin	9946625	Click to see CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)CCC4C(O4)(C)C	354.40	unknown	https://doi.org/10.1021/JF950183M
Isoimperatorin	68081	Click to see CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C	270.28	unknown	https://doi.org/10.1248/YAKUSHI1947.76.10_1136 https://doi.org/10.1246/NIKKASHI1921.51.478
Paradisin A	72941753	Click to see CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)CCC(C(C)(C)OC(CCC(=CCOC4=C5C=CC(=O)OC5=CC6=C4C=CO6)C)C(C)(C)O)O	726.80	unknown	https://doi.org/10.1006/ABBI.2000.1835
Pentosalen	10212	Click to see CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C	270.28	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 5-hydroxypsoralens
Bergaptol	5280371	Click to see C1=CC(=O)OC2=CC3=C(C=CO3)C(=C21)O	202.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1572193/
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 5-methoxypsoralens
Bergapten	2355	Click to see COC1=C2C=CC(=O)OC2=CC3=C1C=CO3	216.19	unknown	https://doi.org/10.1111/J.1600-0536.1998.TB05752.X https://doi.org/10.1021/JF950183M https://doi.org/10.1021/JF800446T https://doi.org/10.1021/JF990155U https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1572193/
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins
Isoscopoletin	69894	Click to see COC1=C(C=C2C=CC(=O)OC2=C1)O	192.17	unknown	https://doi.org/10.1248/CPB.44.804
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 6,7-dihydroxycoumarins
Esculetin	5281416	Click to see C1=CC(=O)OC2=CC(=C(C=C21)O)O	178.14	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
6-Formylumbelliferone	14213968	Click to see C1=CC(=O)OC2=CC(=C(C=C21)C=O)O	190.15	unknown	https://doi.org/10.1248/CPB.44.804
7-Hydroxy-8-(2-hydroxy-3-methylbut-3-enyl)chromen-2-one	131836751	Click to see CC(=C)C(CC1=C(C=CC2=C1OC(=O)C=C2)O)O	246.26	unknown	https://doi.org/10.1248/CPB.44.804
7-hydroxy-8-[(2R)-2-hydroxy-3-methylbut-3-enyl]chromen-2-one	129716365	Click to see CC(=C)C(CC1=C(C=CC2=C1OC(=O)C=C2)O)O	246.26	unknown	https://doi.org/10.1248/CPB.44.804
7-Hydroxy-8-methoxycoumarin	5316302	Click to see COC1=C(C=CC2=C1OC(=O)C=C2)O	192.17	unknown	https://doi.org/10.1248/CPB.44.804
Demethylsuberosin	5316525	Click to see CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)O)C	230.26	unknown	https://doi.org/10.1248/CPB.44.804
Osthenol	5320318	Click to see CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)O)C	230.26	unknown	https://doi.org/10.1248/CPB.41.1657 https://doi.org/10.1248/CPB.44.804
Scopoletin	5280460	Click to see COC1=C(C=C2C(=C1)C=CC(=O)O2)O	192.17	unknown	https://doi.org/10.1248/CPB.44.804
Umbelliferone	5281426	Click to see C1=CC(=CC2=C1C=CC(=O)O2)O	162.14	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.1016/S0031-9422(98)00671-2
> Phenylpropanoids and polyketides / Coumarins and derivatives / Pyranocoumarins / Angular pyranocoumarins
(+/-) cis-Grandmarin	21574272	Click to see CC1(C(C(C2=C3C(=C(C=C2O1)OC)C=CC(=O)O3)O)O)C	292.28	unknown	https://doi.org/10.1248/CPB.44.804
(10R)-5,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one	163050546	Click to see CC1(CC(C2=C(O1)C=C(C3=C2OC(=O)C=C3)O)O)C	262.26	unknown	https://doi.org/10.1248/CPB.44.804
2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 10-[(8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]-9,10-dihydro-9-hydroxy-8,8-dimethyl-, cis-(+)-	162850222	Click to see CC1(C=CC2=C3C(=C(C=C2O1)OC4C(C(OC5=C4C6=C(C=C5)C=CC(=O)O6)(C)C)O)C=CC(=O)O3)C	488.50	unknown	https://doi.org/10.1248/CPB.44.804
2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 9,10-dihydro-9,10-dihydroxy-5-methoxy-8,8-dimethyl-, (9R,10S)-rel-	162954202	Click to see CC1(C(C(C2=C3C(=C(C=C2O1)OC)C=CC(=O)O3)O)O)C	292.28	unknown	https://doi.org/10.1248/CPB.44.804
5-Hydroxyseselin	11334023	Click to see CC1(C=CC2=C(O1)C=C(C3=C2OC(=O)C=C3)O)C	244.24	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.1248/CPB.41.1657
5-Methoxyseselin	290897	Click to see CC1(C=CC2=C3C(=C(C=C2O1)OC)C=CC(=O)O3)C	258.27	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.1248/CPB.41.1657
5,10-Dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one	163050545	Click to see CC1(CC(C2=C(O1)C=C(C3=C2OC(=O)C=C3)O)O)C	262.26	unknown	https://doi.org/10.1248/CPB.44.804
Butanoic acid, 3-methyl-, 9,10-dihydro-10-hydroxy-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3,4-b')dipyran-9-yl ester, (9R-trans)-	14055879	Click to see CC(C)CC(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)O	346.40	unknown	https://doi.org/10.1248/CPB.44.804
Junosmarin	14055878	Click to see CC(C)CC(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)O	346.40	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.1248/CPB.41.1657
Khelmarin D	10672636	Click to see CC1(C=CC2=C3C(=C(C=C2O1)OC4C(C(OC5=C4C6=C(C=C5)C=CC(=O)O6)(C)C)O)C=CC(=O)O3)C	488.50	unknown	https://doi.org/10.1248/CPB.44.804
Nordentatin	5320206	Click to see CC1(C=CC2=C(O1)C3=C(C(=C2O)C(C)(C)C=C)OC(=O)C=C3)C	312.40	unknown	https://doi.org/10.1248/CPB.41.1657
Seselin	68229	Click to see CC1(C=CC2=C(O1)C=CC3=C2OC(=O)C=C3)C	228.24	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.1248/CPB.41.1657
trans-Grandmarin	14213970	Click to see CC1(C(C(C2=C3C(=C(C=C2O1)OC)C=CC(=O)O3)O)O)C	292.28	unknown	https://doi.org/10.1248/CPB.44.804
> Phenylpropanoids and polyketides / Coumarins and derivatives / Pyranocoumarins / Linear pyranocoumarins
(13S,15R)-15-[(E)-2-(7-methoxy-2-oxochromen-8-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,8-tetraen-5-one	162940428	Click to see CC1(CC2CC(OC3=C2C(=C(C4=C3C=CC(=O)O4)C(C)(C)C=C)O1)(C)C=CC5=C(C=CC6=C5OC(=O)C=C6)OC)C	554.60	unknown	https://doi.org/10.1248/CPB.41.73
(3R,4R)-3,4-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one	21668699	Click to see CC1(C(C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)O)C	262.26	unknown	https://doi.org/10.1248/CPB.44.804
(3R,4S)-3,4-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one	163061872	Click to see CC1(C(C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)O)C	262.26	unknown	https://doi.org/10.1248/CPB.44.804
(3R,4S)-3,4-dihydroxy-5-methoxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-3,4-dihydropyrano[3,2-g]chromen-8-one	163005036	Click to see CC1(C(C(C2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC(=O)C=C3)OC)O)O)C	360.40	unknown	https://doi.org/10.1248/CPB.44.804
(3R,4S)-3,4-dihydroxy-5-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one	163024794	Click to see CC1(C(C(C2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)O)O)C	292.28	unknown	https://doi.org/10.1248/CPB.44.804
(3R,4S)-3,4,5-trihydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-3,4-dihydropyrano[3,2-g]chromen-8-one	162975713	Click to see CC1(C(C(C2=C(O1)C(=C3C(=C2O)C=C(C(=O)O3)C(C)(C)C=C)C(C)(C)C=C)O)O)C	414.50	unknown	https://doi.org/10.1248/CPB.44.804
(3S,4S)-3,4-dihydroxy-5-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one	163024793	Click to see CC1(C(C(C2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)O)O)C	292.28	unknown	https://doi.org/10.1248/CPB.44.804
15-[2-(7-Methoxy-2-oxochromen-8-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,8-tetraen-5-one	85117148	Click to see CC1(CC2CC(OC3=C2C(=C(C4=C3C=CC(=O)O4)C(C)(C)C=C)O1)(C)C=CC5=C(C=CC6=C5OC(=O)C=C6)OC)C	554.60	unknown	https://doi.org/10.1248/CPB.41.73
2H,6H-Benzo[1,2-b:5,4-b']dipyran-2-one, 7,8-dihydro-6,7-dihydroxy-8,8-dimethyl-	9834990	Click to see CC1(C(C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)O)C	262.26	unknown	https://doi.org/10.1248/CPB.44.804
3,4-Dihydroxy-5-methoxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-3,4-dihydropyrano[3,2-g]chromen-8-one	163005034	Click to see CC1(C(C(C2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC(=O)C=C3)OC)O)O)C	360.40	unknown	https://doi.org/10.1248/CPB.44.804
3,4-Dihydroxy-5-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one	163024792	Click to see CC1(C(C(C2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)O)O)C	292.28	unknown	https://doi.org/10.1248/CPB.44.804
5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-3H-pyrano[3,2-g]chromene-4,8-dione	102446086	Click to see CC1(CC(=O)C2=C(O1)C(=C3C(=C2O)C=C(C(=O)O3)C(C)(C)C=C)C(C)(C)C=C)C	396.50	unknown	https://doi.org/10.1248/CPB.44.804
Clausarin	5315945	Click to see CC1(C=CC2=C(O1)C(=C3C(=C2O)C=C(C(=O)O3)C(C)(C)C=C)C(C)(C)C=C)C	380.50	unknown	https://doi.org/10.1248/CPB.44.804
Clausarinol	15293564	Click to see CC1(C(C(C2=C(O1)C(=C3C(=C2O)C=C(C(=O)O3)C(C)(C)C=C)C(C)(C)C=C)O)O)C	414.50	unknown	https://doi.org/10.1248/CPB.44.804
Kinocoumarin	14213975	Click to see CC1(C(=CC2=C(O1)C(=C3C(=C2O)C=CC(=O)O3)C(C)(C)C=C)C(C)(C)C=C)C	380.50	unknown	https://doi.org/10.1248/CPB.41.1657
Luvangetin	343582	Click to see CC1(C=CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)OC)C	258.27	unknown	https://doi.org/10.1248/CPB.44.804
Marshdimerin	15336444	Click to see CC1(C=CC2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC(=O)C(=C3)C(C)(C)C=C)OC4=C5C(=C(C6=C4OC(=O)C(=C6)C(C)(C)C=C)OC(C)(C)C=C)C=CC(O5)(C)C)C	758.90	unknown	https://doi.org/10.3987/COM-97-7757
nor-Dentatin	5495613	Click to see CC1(C=CC2=C(O1)C(=C3C(=C2O)C=CC(=O)O3)C(C)(C)C=C)C	312.40	unknown	https://doi.org/10.1248/CPB.41.1657 https://doi.org/10.1248/CPB.44.804
Ponfolin	174673	Click to see CC1(C=CC2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC(=O)C=C3)OC(C)(C)C=C)C	380.50	unknown	https://doi.org/10.1248/CPB.41.1657
Xanthoxyletin	66548	Click to see CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C	258.27	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.1248/CPB.46.693 https://doi.org/10.1248/CPB.41.1657
Xanthyletin	65188	Click to see CC1(C=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C	228.24	unknown	https://doi.org/10.1248/CPB.44.804 https://doi.org/10.1248/CPB.46.693 https://doi.org/10.1248/CPB.41.1657
> Phenylpropanoids and polyketides / Depsides and depsidones
p-(Bis(2-bromoethyl)amino)phenyl p-nitrobenzoate	89920	Click to see C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)N(CCBr)CCBr)[N+](=O)[O-]	472.10	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Anthocyanidins
Flavylium	145858	Click to see C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2	207.25	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
Cianidanol	9064	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O	290.27	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one	667495	Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O	272.25	unknown	https://doi.org/10.1016/S0021-9673(97)00779-6 https://doi.org/10.1248/BPB.21.1062
5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one	932	Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O	272.25	unknown	https://doi.org/10.1016/S0021-9673(97)00779-6 https://doi.org/10.1248/BPB.21.1062
Naringenin	439246	Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O	272.25	unknown	https://doi.org/10.1016/S0021-9673(97)01061-3
> Phenylpropanoids and polyketides / Flavonoids / Flavones
Apigenin	5280443	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O	270.24	unknown	https://doi.org/10.1016/S0367-326X(99)00131-8
Luteolin	5280445	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O	286.24	unknown	https://doi.org/10.1556/AALIM.31.2002.1.7
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
3-Hydroxy-5,6,7,4'-tetramethoxyflavone	24752965	Click to see COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)O	358.30	unknown	via CMAUP database
Eupatin	5317287	Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O)O	360.30	unknown	via CMAUP database
Kaempferide	5281666	Click to see COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O	300.26	unknown	https://doi.org/10.1016/S0367-326X(99)00131-8
Kaempferol	5280863	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O	286.24	unknown	https://doi.org/10.1016/S0367-326X(99)00131-8
Quercetagetin	5281680	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)O)O)O	318.23	unknown	https://doi.org/10.1021/JF980229M https://doi.org/10.1055/S-2006-957519
Quercetin	5280343	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	302.23	unknown	https://doi.org/10.1016/J.FOODCHEM.2003.09.037 https://doi.org/10.1016/S0367-326X(99)00131-8 https://doi.org/10.1016/J.FITOTE.2003.12.010
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-3-O-glycosides
Cyanidin 3-glucoside chloride	197081	Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O.[Cl-]	484.80	unknown	via CMAUP database
cyanidin 3-O-sophoroside	11169452	Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O	611.50	unknown	via CMAUP database
Cyanidin-3-glucoside	92131208	Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O	449.40	unknown	via CMAUP database
Delphinidin 3-(6''-malonylglucoside)	44256897	Click to see C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O)O	551.40	unknown	via CMAUP database
delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside	14311158	Click to see C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O)O	551.40	unknown	via CMAUP database
Peonidin 3-(6''-malonylglucoside)	44256848	Click to see COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O)O)O	549.50	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides
(2R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one	45271033	Click to see C1C(OC2=C(C1=O)C(=C(C(=C2)O)C3C(C(C(C(O3)CO)O)O)O)O)C4=CC(=C(C=C4)O)O	450.40	unknown	via CMAUP database
5-(((2R,3S,4S,5R,6S)-3,4-Dihydroxy-6-(5-hydroxy-2-(4-hydroxyphenyl)-4-oxochroman-7-yl)-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)-3-hydroxy-3-methyl-5-oxopentanoic Acid	101485562	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2C3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)COC(=O)CC(C)(CC(=O)O)O)O)O)O)O)O	708.70	unknown	https://doi.org/10.1021/NP900096W
5-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid	101485561	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2C3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)COC(=O)CC(C)(CC(=O)O)O)O)O)O)O)O	738.70	unknown	https://doi.org/10.1021/NP900096W
Eriodictyol-6-glucoside	102370911	Click to see C1C(OC2=C(C1=O)C(=C(C(=C2)O)C3C(C(C(C(O3)CO)O)O)O)O)C4=CC(=C(C=C4)O)O	450.40	unknown	via CMAUP database
Hemiphloin	160711	Click to see C1C(OC2=C(C1=O)C(=C(C(=C2)O)C3C(C(C(C(O3)CO)O)O)O)O)C4=CC=C(C=C4)O	434.40	unknown	via CMAUP database
Isoorientin	114776	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O)O	448.40	unknown	via CMAUP database
Isovitexin	162350	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O	432.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one	11972300	Click to see C1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O	564.50	unknown	via CMAUP database
Eriodictyol-8-glucoside	122221847	Click to see C1C(OC2=C(C(=CC(=C2C1=O)O)O)C3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O	450.40	unknown	via CMAUP database
Orientin	5281675	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O	448.40	unknown	via CMAUP database
Vitexin	5280441	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O	432.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides
3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one	102467789	Click to see C1=CC(=CC=C1CCC(=O)C2=C(C(=C(C=C2O)O)OC3C(C(C(C(O3)CO)O)O)O)O)O	452.40	unknown	via CMAUP database
7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-[(4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one	5318029	Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	via CMAUP database
CID 6526201	6526201	Click to see C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O	434.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-	5319025	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC4C(C(C(C(O4)CO)O)O)O)O	538.50	unknown	via CMAUP database
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one	44258019	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O	624.50	unknown	via CMAUP database
Hyperoside	5281643	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	via CMAUP database
Isoquercetin	5280804	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	via CMAUP database
Quercetin 3-O-robinobioside	10371536	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O	610.50	unknown	via CMAUP database
Rutin	5280805	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O	610.50	unknown	https://doi.org/10.1016/S0367-326X(99)00131-8
Vitamin P	5293655	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O	610.50	unknown	https://doi.org/10.1016/S0367-326X(99)00131-8
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one	138454315	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O	596.50	unknown	https://doi.org/10.1016/0031-9422(93)85237-L https://doi.org/10.1021/JF00037A011
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one	129010007	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O	610.60	unknown	https://doi.org/10.1016/S0021-9673(97)00779-6 https://doi.org/10.1021/JF00037A011 https://doi.org/10.1248/YAKUSHI1947.108.10_1008 https://doi.org/10.1016/J.FITOTE.2003.12.010 https://doi.org/10.1016/S0367-326X(99)00131-8 https://doi.org/10.1248/BPB.23.356
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one	42607901	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O	580.50	unknown	via CMAUP database
(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one	457806	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	610.60	unknown	via CMAUP database
(2S)-7-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one	129010093	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	580.50	unknown	https://doi.org/10.1159/000028215 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1080407/ https://doi.org/10.1002/PCA.706 https://doi.org/10.1248/YAKUSHI.122.323 https://doi.org/10.1021/JF00078A040 https://doi.org/10.1016/S0021-9673(97)00779-6 https://doi.org/10.1016/0021-9673(95)00304-6 https://doi.org/10.1021/JF60206A026 https://doi.org/10.1016/S0009-9236(98)90173-4 https://doi.org/10.1021/JF00037A011 https://doi.org/10.1248/YAKUSHI1947.108.10_1008 https://doi.org/10.1016/0031-9422(92)90076-3 https://doi.org/10.1016/0024-3205(96)00417-1 https://doi.org/10.1093/JAOAC/83.5.1155 https://doi.org/10.1111/J.1365-2621.1998.TB15676.X https://doi.org/10.1016/J.FITOTE.2003.12.010 https://doi.org/10.1016/0031-9422(91)83178-N https://doi.org/10.1016/S0367-326X(99)00131-8 https://doi.org/10.1248/BPB.21.1062 https://doi.org/10.1021/JF9702149 https://doi.org/10.1055/S-2006-958077 https://doi.org/10.1007/S002170100394 https://doi.org/10.1007/BF00574223
(2S)-7-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one	6710627	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	580.50	unknown	via CMAUP database
(2S)-7-[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one	42608011	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	610.60	unknown	via CMAUP database
(2S)-7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one	42607966	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O	596.50	unknown	via CMAUP database
(2S)-7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one	5351463	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	580.50	unknown	via CMAUP database
(3R)-5-[[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-[[(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid	162910169	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)COC(=O)CC(C)(CC(=O)O)O)O)O)O)O)O	754.70	unknown	https://doi.org/10.1021/NP900096W
(3R)-5-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[[(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid	124871748	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)COC(=O)CC(C)(CC(=O)O)O)O)O)O)O)O	724.70	unknown	https://doi.org/10.1021/NP900096W
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one	13872461	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O	596.50	unknown	via CMAUP database
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one	53486247	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O	596.50	unknown	via CMAUP database
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[(2S,4R,5S)-3,4,5-trihydroxy-6-[[(2R,4R,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one	24211951	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O	596.50	unknown	via CMAUP database
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one	42607972	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O	596.50	unknown	via CMAUP database
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one	3564542	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O	596.50	unknown	via CMAUP database
3-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[[(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid	101711437	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)COC(=O)CC(=O)O)O)O)O)O)O	666.60	unknown	https://doi.org/10.1016/0031-9422(91)83505-F https://doi.org/10.1016/0031-9422(91)80116-I
4',5-Dihydroxy-7-glucosyloxyflavanone	124300887	Click to see C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O	434.40	unknown	https://doi.org/10.1021/JF00035A021 https://doi.org/10.1016/S0031-9422(00)84502-1
4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (S)-	5284651	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	580.50	unknown	via CMAUP database
4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)-	4441	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	580.50	unknown	via CMAUP database
4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (S)-	91740219	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	580.50	unknown	via CMAUP database
4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-	3594	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O	610.60	unknown	via CMAUP database
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one	133612286	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O	578.50	unknown	https://doi.org/10.1016/0031-9422(93)85237-L https://doi.org/10.1007/BF00574223
5-hydroxy-2-[4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one	11968792	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O)O)O	742.70	unknown	via CMAUP database
6''-O-Malonylnaringin	74819370	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)COC(=O)CC(=O)O)O)O)O)O)O	666.60	unknown	https://doi.org/10.1016/0031-9422(91)80116-I
7-[(2-O-alpha-L-Rhamnopyranosyl-beta-D-glucopyranosyl)oxy]-3',5-dihydroxy-4'-methoxyflavanone	17751030	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	610.60	unknown	via CMAUP database
7-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one	45358136	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	580.50	unknown	via CMAUP database
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one	91873173	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O	596.50	unknown	via CMAUP database
7-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one	129368386	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	608.50	unknown	https://doi.org/10.1016/0031-9422(92)90076-3
7-[(2S,3R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one	5483904	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	578.50	unknown	via CMAUP database
7-[(2S,4R,5S)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one	24211956	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O	596.50	unknown	via CMAUP database
7-[(2S,4R,5S)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one	24211957	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	610.60	unknown	via CMAUP database
7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one	91820153	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	610.60	unknown	via CMAUP database
7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one	74787988	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	580.50	unknown	via CMAUP database
7-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one	45358138	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	610.60	unknown	via CMAUP database
7-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one	45479322	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	578.50	unknown	via CMAUP database
7-[(3S,4R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one	74787987	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O	596.50	unknown	via CMAUP database
7-[[2-O-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4h-1-benzopyran-4-one	25075	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	580.50	unknown	via CMAUP database
7-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one	138107793	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	610.60	unknown	https://doi.org/10.1093/JAOAC/83.5.1155 https://doi.org/10.1016/0031-9422(92)90076-3 https://doi.org/10.1248/YAKUSHI1947.108.10_1008 https://doi.org/10.1016/S0021-9673(97)00779-6 https://doi.org/10.1021/JF00037A011 https://doi.org/10.1248/BPB.23.356 https://doi.org/10.1016/S0367-326X(99)00131-8 https://doi.org/10.1021/JF00078A040 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1080407/
7-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one	138113552	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	608.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1080407/ https://doi.org/10.1016/0031-9422(92)90076-3 https://doi.org/10.1021/JF00035A020
Apigenin-7-O-neohesperidoside	5459217	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	578.50	unknown	via CMAUP database
CID 69964214	69964214	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	608.50	unknown	https://doi.org/10.1016/0031-9422(92)90076-3
Didymin	16760075	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O	594.60	unknown	https://doi.org/10.1016/S0367-326X(99)00131-8 https://doi.org/10.1016/S0021-9673(97)01131-X
Diosmin	5281613	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O	608.50	unknown	https://doi.org/10.1016/0031-9422(93)85237-L
Eriocitrin	83489	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O	596.50	unknown	https://doi.org/10.1021/JF0400967 https://doi.org/10.1016/0031-9422(93)85237-L https://doi.org/10.1021/JF00037A011
Eriodictyol-7-O-neohesperidoside	4278576	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O	596.50	unknown	via CMAUP database
Fumotonaringin	42607924	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)OC)O)O)O)O	594.60	unknown	via CMAUP database
Hesperetin 7-neohesperidoside	73395	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	610.60	unknown	via CMAUP database
Hesperetin 7-O-glucoside	147394	Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	https://doi.org/10.1021/JF00035A021
Hesperetin-rutinoside	53477767	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O	610.60	unknown	via CMAUP database
Hesperidin	10621	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O	610.60	unknown	https://doi.org/10.1248/BPB.23.356 https://doi.org/10.1016/J.FOODCHEM.2003.09.037 https://doi.org/10.1016/J.FITOTE.2003.12.010 https://doi.org/10.1248/YAKUSHI1947.108.10_1008 https://doi.org/10.1021/JF00037A011 https://doi.org/10.1021/JF0400967 https://doi.org/10.1016/S0021-9673(97)00779-6 https://doi.org/10.1016/S0367-326X(99)00131-8 https://doi.org/10.1016/S0021-9673(97)01131-X
Luteolin 7-O-glucoside	5280637	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O	448.40	unknown	via CMAUP database
Naringenin 7-rutinoside	85704	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O	580.50	unknown	https://doi.org/10.1007/S11418-012-0699-Y
Naringin	442428	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	580.50	unknown	https://doi.org/10.1159/000028215 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1080407/ https://doi.org/10.1002/PCA.706 https://doi.org/10.1248/YAKUSHI.122.323 https://doi.org/10.1016/S0021-9673(97)00779-6 https://doi.org/10.1016/0021-9673(95)00304-6 https://doi.org/10.1021/JF60206A026 https://doi.org/10.1016/S0021-9673(97)01131-X https://doi.org/10.1016/S0009-9236(98)90173-4 https://doi.org/10.1021/JF00037A011 https://doi.org/10.1248/YAKUSHI1947.108.10_1008 https://doi.org/10.1016/0031-9422(92)90076-3 https://doi.org/10.1016/0024-3205(96)00417-1 https://doi.org/10.1093/JAOAC/83.5.1155 https://doi.org/10.1111/J.1365-2621.1998.TB15676.X https://doi.org/10.1016/J.FITOTE.2003.12.010 https://doi.org/10.1016/J.FOODCHEM.2003.09.037 https://doi.org/10.1016/0031-9422(91)83178-N https://doi.org/10.1016/S0367-326X(99)00131-8 https://doi.org/10.1248/BPB.21.1062 https://doi.org/10.1016/0031-9422(93)85237-L https://doi.org/10.1021/JF9702149 https://doi.org/10.1021/JF0400967 https://doi.org/10.1055/S-2006-958077 https://doi.org/10.1007/S002170100394 https://doi.org/10.1007/BF00574223
Naringin [10236-47-2]	45933923	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	580.50	unknown	via CMAUP database
Narirutin	442431	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O	580.50	unknown	https://doi.org/10.1248/YAKUSHI.122.323 https://doi.org/10.1016/S0021-9673(97)00779-6 https://doi.org/10.1016/0021-9673(95)00304-6 https://doi.org/10.1016/S0021-9673(97)01131-X https://doi.org/10.1021/JF00037A011 https://doi.org/10.1248/YAKUSHI1947.108.10_1008 https://doi.org/10.1016/S0367-326X(99)00131-8 https://doi.org/10.1021/JF0400967 https://doi.org/10.1055/S-2006-958077
Neodiosmin	14310763	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	608.50	unknown	https://doi.org/10.1016/0031-9422(92)90076-3
Neoeriocitrin	114627	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O	596.50	unknown	https://doi.org/10.1016/0031-9422(93)85237-L https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1080407/ https://doi.org/10.1021/JF00037A011
Neohesperdin	24721685	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=CC(=C5)OC)O)O)CO)O)O)O)O)O	610.60	unknown	via CMAUP database
Neohesperidin	442439	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	610.60	unknown	https://doi.org/10.1016/S0367-326X(99)00131-8 https://doi.org/10.1515/ZNC-2011-7-810 https://doi.org/10.1021/JF0400967 https://doi.org/10.1016/S0021-9673(97)01131-X https://doi.org/10.1021/JF00037A011 https://doi.org/10.1016/J.FOODCHEM.2003.09.037
Neohesperidin	232990	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O	610.60	unknown	https://doi.org/10.1515/ZNC-2011-7-810 https://doi.org/10.1111/J.1365-2672.2007.03456.X
Neopoucirin	85705	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O	594.60	unknown	via CMAUP database
Poncirin	442456	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC)O)CO)O)O)O)O)O	594.60	unknown	https://doi.org/10.1016/S0367-326X(99)00131-8 https://doi.org/10.1016/J.FITOTE.2003.12.010 https://doi.org/10.1016/S0021-9673(97)01131-X
Prunin	92794	Click to see C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O	434.40	unknown	https://doi.org/10.1021/JF00035A021 https://doi.org/10.1016/S0031-9422(00)84502-1
Rhoifolin	5282150	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	578.50	unknown	https://doi.org/10.1016/0031-9422(92)90076-3 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1080407/
Rhoifolin [17306-46-6]	45933935	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O	578.50	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids
Chryseriol	5280666	Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O	300.26	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 4-O-methylated flavonoids
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one	3593	Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O	302.28	unknown	https://doi.org/10.1002/PTR.4826 https://doi.org/10.1007/S11418-012-0699-Y https://doi.org/10.1016/S0040-4020(01)93331-9
5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one	676152	Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O	302.28	unknown	https://doi.org/10.1016/S0040-4020(01)93331-9
Hesperetin	72281	Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O	302.28	unknown	https://doi.org/10.1016/S0021-9673(97)00779-6 https://doi.org/10.1007/S11418-012-0699-Y https://doi.org/10.1002/PTR.4826
Hesperetin(1-)	49859576	Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)[O-])O	301.27	unknown	via CMAUP database
Isosakuranetin	160481	Click to see COC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O	286.28	unknown	https://doi.org/10.1016/0031-9422(93)85237-L
Takakin	44258588	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)O	300.26	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 6-O-methylated flavonoids
5,7-Dihydroxy-3,6-dimethoxyflavone	5481646	Click to see COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC=CC=C3)O	314.29	unknown	via CMAUP database
Eupatilin	5273755	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC	344.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
3,4',6,7-Tetramethoxyflavone	14887080	Click to see COC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=C(C=C3O2)OC)OC)OC	342.30	unknown	via CMAUP database
3',4',5',5,7-Pentamethoxyflavone	493376	Click to see COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC(=C(C(=C3)OC)OC)OC	372.40	unknown	via CMAUP database
5-Hydroxy-3',4',6,7-tetramethoxyflavone	152430	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC	358.30	unknown	via CMAUP database
8-Hydroxy-4',5,7-trimethoxyflavone	5318368	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)O	328.30	unknown	via CMAUP database
Apigenin trimethyl ether	79730	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC	312.30	unknown	via CMAUP database
Cirsimaritin	188323	Click to see COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC	314.29	unknown	via CMAUP database
Fastigenin	162464	Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O	344.30	unknown	via CMAUP database
Hexamethylquercetagetin	386331	Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC)OC	402.40	unknown	https://doi.org/10.1016/S0021-9673(97)01131-X
Salvigenin	161271	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O	328.30	unknown	via CMAUP database
Sinensetin	145659	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC	372.40	unknown	https://doi.org/10.1016/S0021-9673(97)01131-X https://doi.org/10.1021/JF980229M https://doi.org/10.1248/CPB.39.945 https://doi.org/10.1248/CPB.41.714 https://doi.org/10.1055/S-2006-957519 https://doi.org/10.1021/JF990176O
Tetramethylscutellarein	96118	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC	342.30	unknown	https://doi.org/10.1021/JF990176O https://doi.org/10.1021/JF950183M
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 8-O-methylated flavonoids
2-(3,4-Dimethoxyphenyl)-7-hydroxy-5,6,8-trimethoxy-4H-1-benzopyran-4-one	10452846	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)O)OC)OC	388.40	unknown	via CMAUP database
3,5,6,7,8,3',4'-Heptamethphoxyflavone	150893	Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC	432.40	unknown	https://doi.org/10.1055/S-0028-1100072
3'-Demethylnobiletin	183466	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)O	388.40	unknown	via CMAUP database
3',4'-Didemethylnobiletin	5318041	Click to see COC1=C(C(=C(C2=C1C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)OC)OC)OC	374.30	unknown	via CMAUP database
4'-Hydroxy-3',5,6,7,8-pentamethoxyflavone	21593928	Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)O	388.40	unknown	via CMAUP database
4'-Hydroxy-5,6,7,8-tetramethoxyflavone	3010100	Click to see COC1=C(C(=C(C2=C1C(=O)C=C(O2)C3=CC=C(C=C3)O)OC)OC)OC	358.30	unknown	via CMAUP database
4',5-Dihydroxy-7,8-dimethoxyflavone	14585506	Click to see COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC	314.29	unknown	via CMAUP database
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-	44584772	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=CC(=C(C(=C3O2)OC)OC)OC)OC	372.40	unknown	via CMAUP database
5-Hydroxy-3',4',7,8-tetramethoxyflavone	9950661	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC)OC	358.30	unknown	https://doi.org/10.1021/JF801103P
5-Hydroxy-7,8,4'-trimethoxyflavone	14353376	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC	328.30	unknown	via CMAUP database
5-o-Desmethylnobiletin	358832	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC	388.40	unknown	https://doi.org/10.1016/S0040-4020(01)93331-9 https://doi.org/10.1248/CPB.41.714
6-Demethoxytangeretin	629964	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)OC	342.30	unknown	via CMAUP database
7-Hydroxy-4',5,6,8-tetramethoxyflavone	5318356	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)O)OC	358.30	unknown	via CMAUP database
8-Methoxycirsilineol	181092	Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O	374.30	unknown	via CMAUP database
Acerosin	177696	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)O	360.30	unknown	via CMAUP database
Auranetin	10643	Click to see COC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=C(C(=C3O2)OC)OC)OC)OC	372.40	unknown	https://doi.org/10.1016/S0040-4020(01)93331-9
Citromitin	12303287	Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC	404.40	unknown	via CMAUP database
Gardenin B	96539	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O	358.30	unknown	via CMAUP database
Gardenin D	3080750	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O	374.30	unknown	via CMAUP database
Heptamethoxyflavone	44229628	Click to see COC1=CC=CC(=C1OC)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC	432.40	unknown	https://doi.org/10.1055/S-2006-957519 https://doi.org/10.1021/JF950183M
Isosinensetin	632135	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)OC)OC	372.40	unknown	https://doi.org/10.1248/CPB.41.714
Linderoflavone B	97151	Click to see COC1=C(C(=C(C2=C1C(=O)C=C(O2)C3=CC4=C(C=C3)OCO4)OC)OC)OC	386.40	unknown	via CMAUP database
Nobiletin	72344	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC	402.40	unknown	https://doi.org/10.1016/S0021-9673(97)00779-6 https://doi.org/10.1016/S0021-9673(97)01131-X https://doi.org/10.1248/YAKUSHI1947.116.3_244 https://doi.org/10.1021/JF980229M https://doi.org/10.3987/COM-10-S(E)103 https://doi.org/10.1021/JF950183M https://doi.org/10.1248/CPB.39.945 https://doi.org/10.1248/CPB.41.714 https://doi.org/10.1016/S0367-326X(99)00131-8 https://doi.org/10.1055/S-2006-957519 https://doi.org/10.1021/JF990176O
Sudachitin	12443122	Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)O	360.30	unknown	via CMAUP database
Tangeretin	68077	Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC	372.40	unknown	https://doi.org/10.1016/S0021-9673(97)00779-6 https://doi.org/10.1016/S0021-9673(97)01131-X https://doi.org/10.1248/YAKUSHI1947.116.3_244 https://doi.org/10.1021/JF980229M https://doi.org/10.3987/COM-10-S(E)103 https://doi.org/10.1021/JF950183M https://doi.org/10.1016/S0367-326X(99)00131-8 https://doi.org/10.1248/CPB.41.714 https://doi.org/10.1055/S-2006-957519
Thymonin	442662	Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)O)O)O	360.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Pyranoflavonoids
(2R,3R)-3,5-Dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-2,3-dihydro-4H,8H-pyrano[2,3-f]chromen-4-one	44584009	Click to see CC1(C=CC2=C(O1)C=C(C3=C2OC(C(C3=O)O)C4=CC=C(C=C4)O)O)C	354.40	unknown	https://doi.org/10.1248/CPB.44.804
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one	14187086	Click to see CC1(C=CC2=C(O1)C=C(C3=C2OC(CC3=O)C4=CC=C(C=C4)O)O)C	338.40	unknown	https://doi.org/10.1248/CPB.44.804
4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone	44258693	Click to see CC1(C=CC2=C3C(=CC(=C2O1)OC)C(=O)C(=C(O3)C4=CC=C(C=C4)O)OC)C	380.40	unknown	via CMAUP database
Citflavanone	14187085	Click to see CC1(C=CC2=C(O1)C=C(C3=C2OC(CC3=O)C4=CC=C(C=C4)O)O)C	338.40	unknown	https://doi.org/10.1248/CPB.44.804
Yukovanol	14542257	Click to see CC1(C=CC2=C(O1)C=C(C3=C2OC(C(C3=O)O)C4=CC=C(C=C4)O)O)C	354.40	unknown	https://doi.org/10.1248/CPB.44.804
> Phenylpropanoids and polyketides / Isoflavonoids / Furanoisoflavonoids / Pterocarpans
3,3-Dimethyl-3H,7H-pyrano[2',3':6,7][1]benzofuro[3,2-c][1]benzopyran-6b,10(12bH)-diol	3084583	Click to see CC1(C=CC2=C(O1)C=CC3=C2OC4C3(COC5=C4C=CC(=C5)O)O)C	338.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 7-O-methylated isoflavonoids / 7-O-methylisoflavones
6,7-Dimethoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one	632958	Click to see COC1=CC(=C(C=C1C2=COC3=CC(=C(C=C3C2=O)OC)OC)OC)OC	372.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / 2-Hydroxy-dihydrochalcones
Aspalathin	11282394	Click to see C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C(=C2O)C3C(C(C(C(O3)CO)O)O)O)O)O)O)O	452.40	unknown	via CMAUP database
Nothofagin	21722188	Click to see C1=CC(=CC=C1CCC(=O)C2=C(C=C(C(=C2O)C3C(C(C(C(O3)CO)O)O)O)O)O)O	436.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Neoflavonoids / Prenylated neoflavonoids
5-[(1S)-6,11-dihydroxy-3,3,12-trimethyl-7-oxo-1,2-dihydropyrano[2,3-c]acridin-1-yl]-6,11-dihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one	162945666	Click to see CC1(CC(C2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4O)C)O)C5=C6C(=C7C(=C5O)C(=O)C8=C(N7C)C(=CC=C8)O)C=CC(O6)(C)C)C	646.70	unknown	https://doi.org/10.1248/CPB.46.693
Bis(5-hydroxynoracronycine)	10532237	Click to see CC1(CC(C2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4O)C)O)C5=C6C(=C7C(=C5O)C(=O)C8=C(N7C)C(=CC=C8)O)C=CC(O6)(C)C)C	646.70	unknown	https://doi.org/10.1248/CPB.46.693

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Citrus × aurantium

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