Zea mays

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Synonyms

Common Names

Subtypes (subspecies, varieties, subvarieties, forms)

Germination/Propagation

Distribution

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Genome

Scientific Literature

Phytochemical Profile

Biological Material

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Details Top

Internal ID	UUID6440332fe91e9792356606
Scientific name	Zea mays
Authority	L.
First published in	Sp. Pl. : 971 (1753)

Description Top

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Synonyms Top

Scientific name	Authority	First published in
Mays americana	Baumg.	Enum. Stirp. Transsilv. 3: 281 (1816)
Mays zea	Gaertn.	Fruct. Sem. Pl. 1: 6 (1788)
Mayzea cerealis	Raf.	Med. Fl. 2: 241 (1830)
Mayzea cerealis var. gigantea	Raf.	Med. Fl. 2: 241. 1830
Thalysia mays	Kuntze	Revis. Gen. Pl. 2: 794 (1891)
Zea altissima	Gmel. ex Steud.	Nomencl. Bot. : 898 (1821)
Zea gigantea	hort.	Vilm. Blumengärtn., ed. 3. 1: 1189, in syn. 1895
Zea gracillima	hort. ex Vilmorin	Vilm. Blumengärtn., ed. 3. 1: 1190, in syn. 1895
Zea mays f. hanakibi	Makino	Makinoa 2: 26 1947
Zea mays subsp. acuminata	Golosk.	Syst. Kukur 87. 1966 (1966)
Zea mays subsp. amylacea	(Sturtev.) Zhuk.	Kult. Rast. Sorod. 121. 1950 (1950)
Zea mays subsp. amyleosaccharata	(Sturtev.) Zhuk.	Kult. Rast. Sorod. 123 1950
Zea mays subsp. aorista	(Greb.) Golosk.	Syst. Kukur 101. 1966 (1966)
Zea mays subsp. ceratina	(Kuleshov) Zhuk.	Kult. Rast. Sorod. 123. 1950 (1950)
Zea mays subsp. everta	(Sturtev.) Zhuk.	Kult. Rast. Sorod. 121. 1950 (1950)
Zea mays subsp. indentata	(Sturtev.) Zhuk.	Kult. Rast. Sorod. 121. 1950 (1950)
Zea mays subsp. indurata	(Sturtev.) Zhuk.	Kult. Rast. Sorod. 122. 1950 (1950)
Zea mays subsp. obtusa	Golosk.	Syst. Kukur 89. 1966 (1966)
Zea mays subsp. saccharata	(Sturtev.) Zhuk.	Kult. Rast. Sorod. 121. 1950 (1950)
Zea mays subsp. tunicata	(A.St.Hil.) Zhuk.	Kult. Rast. Sorod. 122 1950
Zea mays var. ceratina	Kuleshov	Trudy Prikl. Bot. 19(2): 341. 1928
Zea mays var. everta	(Sturtev.) L.H.Bailey	Cycl. Amer. Hort. 4: 2005. 1902
Zea mays var. gracillima	Körn.	Handb. Getreidebaus 1: 362. 1885
Zea mays var. hirta	(Bonaf.) Alef.	Landw. Fl. 309. 1866
Zea mays var. indentata	(Sturtev.) L.H.Bailey	Cycl. Amer. Hort. 4: 2006. 1902
Zea mays var. japonica	(Van Houtte) Alph.Wood	Amer. Bot. Fl. 2: 409. 1871
Zea mays var. praecox	Torr.	Man. Bot. N. States ed. 2: 500. 1818
Zea mays var. rugosa	Bonaf.	Hist. Nat. Maïs 39. 1836
Zea mays var. saccharata	(Sturtev.) L.H.Bailey	Cycl. Amer. Hort. 4: 2006. 1902
Zea mays var. tunicata	A.St.Hil.	Ann. Sci. Nat. (Paris) 16: 144 1829
Zea mays var. variegata	G.Nicholson	Ill. Dict. Gard. 4: 238. 1887
Zea mays var. virginica	Bonaf.	Hist. Nat. Maïs 37. 1836
Zea minima	hort. ex Vilmorin	Vilm. Blumengärtn., ed. 3. 1: 1190, in syn. 1895
Zea minor	Gmel. ex Steud.	Nomencl. Bot. : 898 (1821)
Zea oryzoides	Golosk.	Syst. Kukur 86. 1966 (1966)
Zea praecox	Steud.	Nomencl. Bot. : 898 (1821)
Zea segetalis	Salisb.	Prodr. Stirp. Chap. Allerton : 28 (1796)
Zea tunicata	Sturtev. ex L.H.Bailey	Survival of Unlike : 128 (1894)
Zea vaginata	Sturtev.	Gard. Chron. , n.s., 20: 443 (1883)
Zea vittata	hort. ex Vilmorin	Vilm. Blumengärtn., ed. 3. 1: 1189, in syn. 1895
Zea mays var. indurata	(Sturtev.) L.H.Bailey	Cycl. Amer. Hort. 4: 2005 1902
Zea mays subsp. tunicata	Sturtev.
Zea mays subsp. semidentata	Kuleshov
Zea mays var. gracillima	Körn. ex Hitchc.	Stand. Cycl. Hort. 6: 3539 1917
Zea maiz	Vell.	Fl. Flumin. Icon. 10: t. 3. 1831 [1827 publ. 29 Oct 1831]

Common names Top

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Filter by language:

Language	Common/alternative name
English	maize
English	corn
English	indian corn
English	corn,
English	teosinte
English	corn plant
English	maize plant
Spanish	coronta o panocha
Spanish	elote o choclo
Spanish	maiz
Spanish	olote
Spanish	choclo
Spanish	z. mays
Spanish	maíz
ace	jagong
Afrikaans	mielie
Akan	aburoo
Akan	aburo
Amharic	በቆሎ
anp	मक्का
Arabic	ذرة (نبات)
Arabic	ذرة
Arabic	الذُرة الشاميَّة
Arabic	الذُرة الصفراء
Arabic	الذُرة المصريَّة
Arabic	الذُرة الإسبانيَّة
Arabic	عَيْش الريف
Arabic	حِنْطَة الجِرْذَان
Arabic	ذرة صفراء
Arabic	حنطة الجرذان
Arabic	ذرة إسبانية
Arabic	ذرة مصرية
Arabic	عيش الريف
Arabic	ذرة شامية
av	Цiоросаролъ
av	ЦӀоросаролъ
awa	जोन्हरी
ay	tunqu
Azerbaijani	qarğıdalı
azb	قارغیدالی
ba	Шәкәр кукурузы
ban	jagung
bar	mais
bar	gugarutz
bar	tyrk
bar	gugaruz
bcl	mais
Belarusian	Кукуруза цукровая
Belarusian	Маіс
Belarusian	Кукуруза
Bulgarian	Царевица
Bulgarian	царевица
Bulgarian	захарна царевица
bi	corn
Bambara	kaba
Bengali	ভুট্টা
Tibetan	ཨ་ཤོམ།
br	maiz
Bosnian	kukuruz
bxr	Кукуруза
Catalan	panís
Catalan	blat de moro
Catalan	dacsa
Catalan	mill
Catalan	blat de les Índies
Catalan	moresc
Catalan	blat de l'índia
Catalan	capça
Catalan	dacsera
Catalan	maís
Catalan	milloc
Catalan	milloca
Catalan	milloquera
Catalan	panissera
Catalan	panolla
Catalan	panolla de panís
Catalan	panotxa
cdo	iù-diĕng-bău
ce	Хьаьжкiа
ceb	polenta
Cherokee	ᏎᎷ
chy	ová'kemâhaemenôtse
co	granone
cr	mahtamin
crh	mısırboğday
Czech	kukuřice
Czech	kukuřice setá
cv	Чакан тулă
Welsh	india-corn
Welsh	grawn ind
Welsh	indrawn
Danish	majs
dag	gbunyalapiɛ
dag	kawan piɛlli
dag	kawan ʒɛɛ
dag	kariwana
German	mais
German	kukuruz
German	kukuruz (at)
din	anyuɔl
diq	lazut
dty	मकै
dv	ޒުވާރި
Ewe	bli
Greek	Καλαμπόκι
Greek	αραβόσιτος
eml	furmintòun
Esperanto	maizo
Estonian	mais
Basque	arto
Persian	ذرت
Fulah	masarji
Finnish	maissi
Finnish	viljamaissi
fj	sila
Faroese	mais
French	maïs
French	blé d’inde
frr	meis
fur	blave
fy	mais
fy	stynske weet
Irish	grán buí
Irish	arbhar indiach
gan	粟米
gcr	mi
gd	cruithneachd innseanach
Galician	millo
gn	avati
gor	binte
Gujarati	મકાઈ
guc	maiki
gur	kareyɛna
Hausa	masara
hak	pâu-siuk
Hebrew	תירס
Hindi	मक्का
Croatian	kukuruz
Upper Sorbian	kukurica
Upper Sorbian	majs
Upper Sorbian	prawa kukurica
ht	mayi
Hungarian	kukorica
Hungarian	málé
Hungarian	tengeri
Hungarian	törökbúza
Armenian	եգիպտացորեն
Indonesian	jagung
Indonesian	haikal jamsut
Igbo	ihe ọ̀kụkụ ọka
Igbo	ukwu ọka
Igbo	Ọ̀ka
ilo	mais
io	maizo
Icelandic	maís
Italian	mais
Italian	granoturco
Italian	granturco
Italian	z. mays
Japanese	トウモロコシ
jam	kaan
jbo	zumri
jv	jagung
Georgian	სიმინდი
Kabyle	ukbal
kbd	Нартыху
kbp	saamɩɖɛ
kcg	swakpat
kg	disângu
Kazakh	Жүгері
Khmer	ពោត
Kannada	ಮೆಕ್ಕೆ ಜೋಳ
Korean	강내미
Korean	강냉이
Korean	옥수꾸
Korean	옥시기
Korean	옥수수
krc	Нартюх
ku	garis
Cornish	ýs
lad	mais
lb	tierkesche weess
lb	mais
lbe	Шагьнал лачӀа
lfn	mais
li	majis
li	turkse weit
li	meis
lij	granon
ln	lisángú
lo	ສາລີ
Lithuanian	paprastasis kukurūzas
Latvian	parastā kukurūza
Latvian	kukurūza
lzh	秫
mai	मकै
mcn	ca᷆yt cígɔ᷆rdà
Malagasy	katsaka
Malagasy	tsakotsako
mi	kānga
min	jaguang
Macedonian	царевица
Macedonian	царевка
Macedonian	пченка
Malayalam	ചോളം
mni	ꯆꯨꯆꯥꯛ
mo	Пэпушой
mos	milga, kamaande
mos	kamaana
Marathi	मका
Malay	jagung
mt	qamħ
mt	qamħirrun
Burmese	ပြောင်းဖူး
mzn	کوگندم
nah	cintli
nan	hoan-be̍h
nap	granone
Norwegian Bokmål	mais
Nepali	मकै
new	कःनि
nia	rigi
Dutch	maïs
Dutch	mais
Norwegian Nynorsk	mais
nso	tšhela letswai
nv	naadą́ą́ʼ
oc	milh
Oriya	ମକା
os	Нартхор
Punjabi	ਮੱਕੀ
pam	mais
pap	mainshi
pap	maishi grandi
pcm	maz
pcm	mazi
pdc	welschkann
Polish	kukurydza
Polish	kukurydza zwyczajna
Punjab	مکی
pnt	Λαζούδ
Pashto	جوار
Portuguese	abati
Portuguese	auati
Portuguese	avati
Portuguese	milho
Portuguese	planta de milho
Portuguese	planta do milho
Quechua	sara
rn	ikigori
Romanian	porumb
Russian	Кукуруза
Russian	маис
Russian	кукуруза сахарная
rup	câlâmbuchiu
Kinyarwanda	ikigori
Yakutian	Маис
sat	ᱡᱚᱱᱰᱨᱟ
sat	ᱡᱚᱱᱚᱲᱟ
sc	trigumoriscu
sco	maize
sd	مڪئي
Samogitian	kukurūzos
Serbo-Croatian	kukuruz
Sinhala	බඩ ඉරිඟු
Slovak	kukurica siata
Slovak	kukurica
Slovenian	koruza
Slovenian	fermentin
Slovenian	turščica
smn	maissâ
Shona	chibage
Somali	galey
Albanian	misri
Albanian	misër
Serbian	Кукуруз
Serbian	кукуруз
srn	karu
st	poone
stq	turske weete
su	jagong
Swedish	majs
Swahili	mhindi
szl	majs
szy	kubkub
Tamil	சோளம்
Tamil	மக்காச் சோளம்
Telugu	మొక్కజొన్న
tg	Сӯта
Thai	ข้าวโพด
Thai	ข้าวสาลี
Thai	คง
Thai	บือเคเส่ะ
Thai	โพด
Thai	ยาฆง
Thai	สาลี
tn	mmidi/mmopo
Tonga	koane
tpi	kon
Turkish	mısır
tt	Кукуруз
tum	chingoma
ty	tō popa’ā
Central Morocco Tamazight	ⴰⵙⵏⴳⴰⵔ
ug	ظات حعشلعق قوناق
ug	كۆممىقوناق
Ukrainian	кукурудза
Urdu	مکئی
Uzbek	makkajoʻxori
vec	formenton
vec	granturco
vec	sorgo turco
vep	kukuruz
Vietnamese	ngô
vo	mait
vro	mais
Walloon	dinrêye
Walloon	mayisse
Walloon	poes d' trouk
war	maís
wo	mboq
xmf	ლაიტი
yi	קוקורוזע
Yoruba	yangan
Yoruba	Àgbàdo
za	haeuxyangz
Chinese	玉蜀黍
Chinese	玉米油
Chinese	玉米
Chinese	玉米花
Chinese	玉米轴
Chinese	玉米须
Chinese	玉蜀黍叶
Chinese	玉蜀黍根
Chinese	玉蜀黍苞片
Chinese	糯玉米
Chinese	包谷
Chinese	珍珠米
Chinese	苞芦
Chinese	秫

Subspecies (abbr. subsp./ssp.) Top

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Name	Authority	First published in
Zea mays subsp. huehuetenangensis	(Iltis & Doebley) Doebley	Maydica 35: 148 (1990)
Zea mays subsp. mays
Zea mays subsp. parviglumis	Iltis & Doebley	Amer. J. Bot. 67: 1001 (1980)

Varieties (abbr. var.) Top

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Subvarieties (abbr. subvar.) Top

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Forms (abbr. f.) Top

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No forms added yet.

Germination/Propagation Top

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Sow seeds at 20°C, expecting germination within 3 months without further temperature treatment.

Distribution (via POWO/KEW) Top

Legend for the distribution data:

- Doubtful data

- Extinct

- Introduced

- Native

Africa click to expand
- East Tropical Africa
  - Tanzania
- Macaronesia
  - Azores
  - Canary Islands
- Northeast Tropical Africa
  - Chad
  - Djibouti
  - Ethiopia
  - Somalia
  - Sudan
- Northern Africa
  - Algeria
  - Egypt
  - Morocco
  - Tunisia
- South Tropical Africa
  - Angola
  - Mozambique
  - Zambia
- West Tropical Africa
  - Benin
  - Burkina
  - Gambia
  - Ghana
  - Guinea
  - Guinea-Bissau
  - Ivory Coast
  - Mali
  - Niger
  - Nigeria
  - Sierra Leone
  - Togo
- West-central Tropical Africa
  - Burundi
  - Cameroon
  - Central African Republic
  - Equatorial Guinea
  - Gulf Of Guinea Islands
  - Rwanda
  - Zaïre
- Western Indian Ocean
  - Aldabra
  - Chagos Archipelago
  - Comoros
  - Madagascar
  - Mauritius
  - Rodrigues
  - Réunion
  - Seychelles

Asia-temperate click to expand
- Arabian Peninsula
  - Oman
  - Yemen
- Caucasus
  - North Caucasus
  - Transcaucasus
- China
  - China North-central
  - China South-central
  - China Southeast
  - Hainan
  - Manchuria
- Eastern Asia
  - Japan
  - Korea
  - Nansei-shoto
- Middle Asia
  - Kazakhstan
  - Kirgizstan
  - Tadzhikistan
  - Turkmenistan
  - Uzbekistan
- Russian Far East
  - Amur
  - Khabarovsk
  - Primorye
  - Sakhalin
- Western Asia
  - Afghanistan
  - Cyprus
  - Iraq
  - Turkey

Asia-tropical click to expand
- Indian Subcontinent
  - Assam
  - Bangladesh
  - East Himalaya
  - India
  - Nepal
  - Pakistan
  - Sri Lanka
  - West Himalaya
- Indo-China
  - Andaman Islands
  - Cambodia
  - Laos
  - Myanmar
  - Thailand
  - Vietnam
- Malesia
  - Borneo
  - Christmas Island
  - Jawa
  - Lesser Sunda Islands
  - Malaya
  - Maluku
  - Philippines
- Papuasia
  - Bismarck Archipelago
  - New Guinea

Australasia click to expand
- Australia
  - Queensland
  - Western Australia

Europe click to expand
- Eastern Europe
  - Baltic States
  - Belarus
  - Central European Russia
  - East European Russia
  - Krym
  - Northwest European Russia
  - South European Russia
  - Ukraine
- Middle Europe
  - Austria
  - Belgium
  - Czechoslovakia
  - Germany
  - Hungary
  - Netherlands
  - Poland
  - Switzerland
- Northern Europe
  - Great Britain
  - Ireland
- Southeastern Europe
  - Albania
  - Bulgaria
  - Greece
  - Italy
  - Kriti
  - Romania
  - Sicilia
  - Turkey-in-Europe
  - Yugoslavia
- Southwestern Europe
  - Baleares
  - Corse
  - France
  - Portugal
  - Sardegna
  - Spain

Northern America click to expand
- Eastern Canada
  - Ontario
  - Québec
- Mexico
  - Mexico Central
  - Mexico Gulf
  - Mexico Northeast
  - Mexico Northwest
  - Mexico Southeast
  - Mexico Southwest
- North-central U.S.A.
  - Illinois
  - Iowa
  - Kansas
  - Minnesota
  - Missouri
  - Nebraska
  - Wisconsin
- Northeastern U.S.A.
  - Connecticut
  - Indiana
  - Maine
  - Massachusetts
  - New Hampshire
  - New Jersey
  - New York
  - Ohio
  - Pennsylvania
  - Rhode Island
  - Vermont
  - West Virginia
- Northwestern U.S.A.
  - Colorado
  - Idaho
  - Montana
  - Oregon
  - Washington
  - Wyoming
- South-central U.S.A.
  - New Mexico
  - Texas
- Southeastern U.S.A.
  - Alabama
  - Arkansas
  - Florida
  - Georgia
  - Kentucky
  - Louisiana
  - Maryland
  - Mississippi
  - North Carolina
  - South Carolina
  - Tennessee
  - Virginia
- Southwestern U.S.A.
  - Arizona
  - California
  - Nevada
  - Utah

Pacific click to expand
- North-central Pacific
  - Hawaii
- Northwestern Pacific
  - Caroline Islands
  - Marianas
  - Marshall Islands
  - Wake Island
- South-central Pacific
  - Pitcairn Islands
- Southwestern Pacific
  - Fiji
  - New Caledonia
  - Niue
  - Samoa
  - Vanuatu

Southern America click to expand
- Brazil
  - Brazil North
  - Brazil Northeast
  - Brazil South
  - Brazil Southeast
  - Brazil West-central
- Caribbean
  - Aruba
  - Bahamas
  - Cayman Islands
  - Cuba
  - Dominican Republic
  - Haiti
  - Jamaica
  - Leeward Islands
  - Netherlands Antilles
  - Puerto Rico
  - Trinidad-Tobago
  - Venezuelan Antilles
  - Windward Islands
- Central America
  - Belize
  - Costa Rica
  - Guatemala
  - Honduras
  - Nicaragua
  - Panamá
- Northern South America
  - French Guiana
- Southern South America
  - Argentina Northeast
  - Uruguay
- Western South America
  - Bolivia
  - Colombia
  - Ecuador
  - Galápagos
  - Peru

Links to other databases Top

Suggest others/fix!

Database	ID/link to page
World Flora Online	wfo-0000907754
Flora of Alabama	5097
Canadensys	8024
USDA Plants	ZEMA
Tropicos	25510055
INPN	130621
KEW	urn:lsid:ipni.org:names:426810-1
The Plant List	kew-450362
Plantarium	41074
Missouri Botanical Garden	285225
PFAF	Zea mays
Open Tree Of Life	605194
Observations.org	7670
NCBI Taxonomy	4577
NBN Atlas	NBNSYS0000014190
Nature Serve	2.149574
IUCN Red List	77726273
IPNI	426810-1
iNaturalist	48448
GBIF	5290052
Freebase	/m/053wn
WisFlora	5458
EPPO	ZEAMX
EOL	1115259
Elurikkus	8259
Calflora (Californian flora)	9428
US Library of Congress	sh85032625
USDA GRIN	42207
Wikipedia	Maize
CMAUP	NPO15810

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
GCF_902167145.1	Zm-B73-REFERENCE-NAM-5.0	Chromosome	MaizeGDB	2020-03-21	83.0x	2.03 Gb

Scientific Literature Top

Below are displayed the latest 15 articles published in PMC (PubMed Central®) and other sources (DOI number only)!
If you wish to see all the related articles click here.

Title

Authors

Publication

Released

IDs

DArTseq-based SNP markers reveal high genetic diversity among early generation fall armyworm tolerant maize inbred lines

Adu GB, Awuku FJ, Garcia-Oliveira AL, Amegbor IK, Nelimor C, Nboyine J, Karikari B, Atosona B, Manigben KA, Aboyadana PA

PLoS One

17-Apr-2024

PMCID:	PMC11023204
doi:	10.1371/journal.pone.0294863
PMID:	38630672

Phylogenomic profiles of whole-genome duplications in Poaceae and landscape of differential duplicate retention and losses among major Poaceae lineages

Zhang T, Huang W, Zhang L, Li DZ, Qi J, Ma H

Nat Commun

17-Apr-2024

PMCID:	PMC11024178
doi:	10.1038/s41467-024-47428-9
PMID:	38632270

Genome-wide identification and stress response analysis of BcaCPK gene family in amphidiploid Brassica carinata

Zuo D, Lei S, Qian F, Gu L, Wang H, Du X, Zeng T, Zhu B

BMC Plant Biol

17-Apr-2024

PMCID:	PMC11022436
doi:	10.1186/s12870-024-05004-9

Deciphering Aphanomyces euteiches-pea-biocontrol bacterium interactions through untargeted metabolomics

Hossain Z, Zhao S, Liu K, Li L, Hubbard M

Sci Rep

17-Apr-2024

PMCID:	PMC11024177
doi:	10.1038/s41598-024-52949-w
PMID:	38632368

Technical Note on the quality of DNA sequencing for the molecular characterisation of genetically modified plants

César‐Razquin A, Casacuberta J, Dalmay T, Federici S, Jacchia S, Kagkli DM, Moxon S, Papadopoulou N

EFSA J

17-Apr-2024

PMCID:	PMC11022705
doi:	10.2903/j.efsa.2024.8744
PMID:	38634010

Purification and Characterization of Desferrioxamine B of Pseudomonas fluorescens and Its Application to Improve Oil Content, Nutrient Uptake, and Plant Growth in Peanuts

Nithyapriya S, Sundaram L, Eswaran SU, Perveen K, Alshaikh NA, Sayyed RZ, Mastinu A

Microb Ecol

17-Apr-2024

PMCID:	PMC11024037
doi:	10.1007/s00248-024-02377-0
PMID:	38630182

Structure of Aspergillus flavus populations associated with maize in Greece, Spain, and Serbia: Implications for aflatoxin biocontrol on a regional scale

Ouadhene MA, Callicott KA, Ortega‐Beltran A, Mehl HL, Cotty PJ, Battilani P

Environ Microbiol Rep

17-Apr-2024

PMCID:	PMC11024511
doi:	10.1111/1758-2229.13249

Abiotic and biotic factors influencing small-scale corn production along a shade spectrum in arid urban agriculture settings

Kruger BR, Sackett JD

PLoS One

16-Apr-2024

PMCID:	PMC11020971
doi:	10.1371/journal.pone.0301633
PMID:	38625854

Look4LTRs: a Long terminal repeat retrotransposon detection tool capable of cross species studies and discovering recently nested repeats

Garza AB, Lerat E, Girgis HZ

Mob DNA

16-Apr-2024

PMCID:	PMC11020628
doi:	10.1186/s13100-024-00317-w
PMID:	38627766

Modes of action and potential as a peptide‐based biofungicide of a plant defensin MtDef4

Li H, Kalunke R, Tetorya M, Czymmek KJ, Shah DM

Mol Plant Pathol

15-Apr-2024

PMCID:	PMC11018249
doi:	10.1111/mpp.13458
PMID:	38619888

Increases in the soil ammonia oxidizing phylotypes and their rechange due to long-term irrigation with wastewater

Aguilar-Rangel EJ, Savin-Gámez A, García-Maldonado JQ, Prado B, Vásquez-Murrieta MS, Siebe C, Alcántara-Hernández RJ

PLoS One

11-Apr-2024

PMCID:	PMC11008854
doi:	10.1371/journal.pone.0299518
PMID:	38603769

Impact of nitrogen fertilizer sustainability on corn crop yield: the role of beneficial microbial inoculation interactions

Galindo FS, Pagliari PH, da Silva EC, de Lima BH, Fernandes GC, Thiengo CC, Bernardes JV, Jalal A, Oliveira CE, de Sousa Vilela L, Furlani Junior E, Nogueira TA, do Nascimento V, Teixeira Filho MC, Lavres J

BMC Plant Biol

11-Apr-2024

PMCID:	PMC11008049
doi:	10.1186/s12870-024-04971-3
PMID:	38605320

Patagonian partnerships: the extinct Dusicyon avus and its interaction with prehistoric human communities

Abbona CC, Lebrasseur O, Prevosti FJ, Peralta E, González Venanzi L, Frantz L, Larson G, Gil AF, Neme GA

R Soc Open Sci

10-Apr-2024

PMCID:	PMC11004678
doi:	10.1098/rsos.231835
PMID:	38601034

Genome-wide analysis and expression profiling of the HD-ZIP gene family in kiwifruit

Ye KY, Li JW, Wang FM, Gao JY, Liu CX, Gong HJ, Qi BB, Liu PP, Jiang QS, Tang JM, Mo QH

BMC Genomics

09-Apr-2024

PMCID:	PMC11003167
doi:	10.1186/s12864-024-10025-7
PMID:	38594645

Origin, evolution, and diversification of inositol 1,4,5-trisphosphate 3-kinases in plants and animals

Xiong T, Zhang Z, Fan T, Ye F, Ye Z

BMC Genomics

08-Apr-2024

PMCID:	PMC11000326
doi:	10.1186/s12864-024-10257-7
PMID:	38589807

Phytochemical Profile Top

Add a new one!

Below are displayed the proven (via scientific papers) natural compounds!
You can also contribute to this by clicking here.

Name	PubChem ID	Canonical SMILES	MW	Found in	Proof
> Benzenoids / Benzene and substituted derivatives
Ethyl phenylacetate	7590	Click to see CCOC(=O)CC1=CC=CC=C1	164.20	unknown	https://doi.org/10.1021/JF60230A020
Methyl phenylacetate	7559	Click to see COC(=O)CC1=CC=CC=C1	150.17	unknown	https://doi.org/10.1021/JF60230A020
Phenylacetic Acid	999	Click to see C1=CC=C(C=C1)CC(=O)O	136.15	unknown	https://doi.org/10.1007/BF00988330
Phenylethyl Alcohol	6054	Click to see C1=CC=C(C=C1)CCO	122.16	unknown	https://doi.org/10.1021/JF60220A012
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters / o-Hydroxybenzoic acid esters
Methyl Salicylate	4133	Click to see COC(=O)C1=CC=CC=C1O	152.15	unknown	https://doi.org/10.1021/JF00125A044
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acids
4-(6-Hydroxy-5,5-dimethylcyclohexen-1-yl)benzoic acid	16105448	Click to see CC1(CCC=C(C1O)C2=CC=C(C=C2)C(=O)O)C	246.30	unknown	https://doi.org/10.1248/CPB.55.153
4-[(6R)-6-hydroxy-5,5-dimethylcyclohexen-1-yl]benzoic acid	162969682	Click to see CC1(CCC=C(C1O)C2=CC=C(C=C2)C(=O)O)C	246.30	unknown	https://doi.org/10.1248/CPB.55.153
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
3-Hydroxybenzoic acid	7420	Click to see C1=CC(=CC(=C1)O)C(=O)O	138.12	unknown	https://doi.org/10.1021/JF020957G
3,4-Dihydroxybenzoic acid	72	Click to see C1=CC(=C(C=C1C(=O)O)O)O	154.12	unknown	https://doi.org/10.1021/JF00110A030
4-Hydroxybenzoic acid	135	Click to see C1=CC(=CC=C1C(=O)O)O	138.12	unknown	https://doi.org/10.1021/JF00110A030
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Gallic acids
Propyl gallic acid	18688975	Click to see CCCC1=C(C(=C(C=C1C(=O)O)O)O)O	212.20	unknown	https://doi.org/10.1016/0165-1218(84)90058-2
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Galloyl esters
Propyl gallate	4947	Click to see CCCOC(=O)C1=CC(=C(C(=C1)O)O)O	212.20	unknown	https://doi.org/10.1016/0165-1218(84)90058-2
> 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/10.1021/JF00110A030 https://doi.org/10.1248/CPB.55.153
> 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/10.1021/JF020957G
> 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/10.1021/JF60230A020 https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF00064A054
> Benzenoids / Benzene and substituted derivatives / Biphenyls and derivatives
Biphenyl	7095	Click to see C1=CC=C(C=C1)C2=CC=CC=C2	154.21	unknown	https://doi.org/10.1021/JF60220A012
Diferulic acid	5281770	Click to see COC1=CC(=CC(=C1O)C2=C(C(=CC(=C2)C=CC(=O)O)OC)O)C=CC(=O)O	386.40	unknown	https://doi.org/10.1021/JF020957G
> 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 / Phenylacetaldehydes
Phenylacetaldehyde	998	Click to see C1=CC=C(C=C1)CC=O	120.15	unknown	https://doi.org/10.1021/JF60230A020 https://doi.org/10.1021/JF60218A022
> Benzenoids / Benzene and substituted derivatives / Phenylpropanes
2-Phenylbutyric acid	7012	Click to see CCC(C1=CC=CC=C1)C(=O)O	164.20	unknown	https://doi.org/10.1021/JF60230A020
> Benzenoids / Benzene and substituted derivatives / Phenylpyruvic acid derivatives
8-4'-Dehydrodiferulic acid	157009740	Click to see COC1=C(C=CC(=C1)C=CC(=O)O)OC(=CC2=CC(=C(C=C2)O)OC)C(=O)O	386.40	unknown	https://doi.org/10.1021/JF020957G
> Benzenoids / Benzene and substituted derivatives / Xylenes / o-Xylenes
O-Xylene	7237	Click to see CC1=CC=CC=C1C	106.16	unknown	https://doi.org/10.1021/JF60218A022
> Benzenoids / Fluorenes
Fluorene	6853	Click to see C1C2=CC=CC=C2C3=CC=CC=C31	166.22	unknown	https://doi.org/10.1021/JF60220A012
> Benzenoids / Naphthalenes
2-Methylnaphthalene	7055	Click to see CC1=CC2=CC=CC=C2C=C1	142.20	unknown	https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF60220A012
Naphthalene	931	Click to see C1=CC=C2C=CC=CC2=C1	128.17	unknown	https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF60220A012 https://doi.org/10.1021/JF60230A020
> Benzenoids / Naphthalenes / Naphthoquinones
(2S,3R)-5,8-dihydroxy-2-(hydroxymethyl)-3-[(2R)-2-hydroxypropyl]-6-methoxy-2,3-dihydronaphthalene-1,4-dione	162963448	Click to see CC(CC1C(C(=O)C2=C(C1=O)C(=C(C=C2O)OC)O)CO)O	310.30	unknown	https://doi.org/10.1002/HLCA.19300130215 https://doi.org/10.1002/HLCA.19290120178
> Benzenoids / Phenols / 1-hydroxy-2-unsubstituted benzenoids
4-Hydroxyphenylacetic acid	127	Click to see C1=CC(=CC=C1CC(=O)O)O	152.15	unknown	https://doi.org/10.1021/JF00110A030
> Benzenoids / Phenols / 1-hydroxy-4-unsubstituted benzenoids
3-[[(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-3-(2-hydroxyphenyl)-2-oxo-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-5-yl]methoxy]-3-oxopropanoic acid	11617890	Click to see C1=CC=C(C(=C1)N2C3C(C(C(C(O3)COC(=O)CC(=O)O)O)O)OC2=O)O	383.31	unknown	https://doi.org/10.1021/NP0580762
3-[[6,7-dihydroxy-3-(2-hydroxyphenyl)-2-oxo-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-5-yl]methoxy]-3-oxopropanoic acid	73031234	Click to see C1=CC=C(C(=C1)N2C3C(C(C(C(O3)COC(=O)CC(=O)O)O)O)OC2=O)O	383.31	unknown	https://doi.org/10.1021/NP0580762
> Benzenoids / Phenols / Methoxyphenols
(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-one	11638444	Click to see COC1=CC(=C(C=C1)N2C3C(C(C(C(O3)CO)O)O)OC2=O)O	327.29	unknown	https://doi.org/10.1021/NP0580762
2-Methoxy-4-vinylphenol	332	Click to see COC1=C(C=CC(=C1)C=C)O	150.17	unknown	https://doi.org/10.1021/JF60218A022
5-Ethenyl-2-methoxyphenol	10441857	Click to see COC1=C(C=C(C=C1)C=C)O	150.17	unknown	https://doi.org/10.1021/JF60218A022
6,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-one	73038187	Click to see COC1=CC(=C(C=C1)N2C3C(C(C(C(O3)CO)O)O)OC2=O)O	327.29	unknown	https://doi.org/10.1021/NP0580762
Eugenol	3314	Click to see COC1=C(C=CC(=C1)CC=C)O	164.20	unknown	via CMAUP database
Vanillin	1183	Click to see COC1=C(C=CC(=C1)C=O)O	152.15	unknown	https://doi.org/10.1248/CPB.55.153
> Hydrocarbons / Polycyclic hydrocarbons
3,7,7-Trimethylbicyclo[4.1.0]hept-1-ene	14568304	Click to see CC1CCC2C(=C1)C2(C)C	136.23	unknown	https://doi.org/10.1021/JF071646E
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
Bazzanene	179421	Click to see CC1=CCC(CC1)(C)C2(CCCC2=C)C	204.35	unknown	https://doi.org/10.1021/JF00064A054 https://doi.org/10.1021/JF00125A044
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
Ethyl palmitate	12366	Click to see CCCCCCCCCCCCCCCC(=O)OCC	284.50	unknown	https://doi.org/10.1080/00021369.1973.10860818
Propyl palmitate	75232	Click to see CCCCCCCCCCCCCCCC(=O)OCCC	298.50	unknown	https://doi.org/10.1080/00021369.1973.10860818
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Branched fatty acids / Methyl-branched fatty acids
Isovaleric acid	10430	Click to see CC(C)CC(=O)O	102.13	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
Palmitic Acid	985	Click to see CCCCCCCCCCCCCCCC(=O)O	256.42	unknown	https://doi.org/10.1055/S-2006-957441
Stearic Acid	5281	Click to see CCCCCCCCCCCCCCCCCC(=O)O	284.50	unknown	https://doi.org/10.1055/S-2006-957441
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
(3S,3aS,7aR)-2-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,3a,7a-tetrahydroindole-3-carboxylic acid	162907117	Click to see C1=CC2C(C(=O)NC2C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)O	357.31	unknown	https://doi.org/10.1080/00021369.1987.10868551
2-Oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,3a,7a-tetrahydroindole-3-carboxylic acid	162907116	Click to see C1=CC2C(C(=O)NC2C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)O	357.31	unknown	https://doi.org/10.1080/00021369.1987.10868551
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters
Citronellyl acetate	9017	Click to see CC(CCC=C(C)C)CCOC(=O)C	198.30	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
1-Decanol	8174	Click to see CCCCCCCCCCO	158.28	unknown	https://doi.org/10.1021/JF60220A012
1-Heptanol	8129	Click to see CCCCCCCO	116.20	unknown	https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF60230A020
1-Hexanol	8103	Click to see CCCCCCO	102.17	unknown	https://doi.org/10.1021/JF60230A020 https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF00125A044 https://doi.org/10.1021/JF60220A012
1-Octanol	957	Click to see CCCCCCCCO	130.23	unknown	https://doi.org/10.1021/JF60230A020 https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF60220A012
1-Octen-3-OL	18827	Click to see CCCCCC(C=C)O	128.21	unknown	https://doi.org/10.1021/JF60220A012 https://doi.org/10.1021/JF60230A020 https://doi.org/10.1021/JF60218A022
2-Decanol	14254	Click to see CCCCCCCCC(C)O	158.28	unknown	https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF60220A012
2-Ethylhexan-1-ol	7720	Click to see CCCCC(CC)CO	130.23	unknown	https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF60220A012
2-Heptanol	10976	Click to see CCCCCC(C)O	116.20	unknown	https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF60230A020 https://doi.org/10.1021/JF60220A012
2-Nonanol	12367	Click to see CCCCCCCC(C)O	144.25	unknown	https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF60230A020
2-Octanol	20083	Click to see CCCCCCC(C)O	130.23	unknown	https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF60220A012
2-Undecanol	15448	Click to see CCCCCCCCCC(C)O	172.31	unknown	https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF60220A012
4-Hepten-2-ol, (4E)-	5352825	Click to see CCC=CCC(C)O	114.19	unknown	https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF60220A012
Dotriacontanol	96117	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO	466.90	unknown	https://doi.org/10.1021/JF0211074
Hept-4-en-2-ol	100886	Click to see CCC=CCC(C)O	114.19	unknown	https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF60220A012
Nonan-1-ol	8914	Click to see CCCCCCCCCO	144.25	unknown	https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF60220A012 https://doi.org/10.1021/JF60230A020
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
1-Heptadecanol	15076	Click to see CCCCCCCCCCCCCCCCCO	256.50	unknown	https://doi.org/10.1021/JF0211074
1-Nonadecanol	80281	Click to see CCCCCCCCCCCCCCCCCCCO	284.50	unknown	https://doi.org/10.1021/JF0211074
> Lipids and lipid-like molecules / Fatty Acyls / Fatty aldehydes
Tridecanal	25311	Click to see CCCCCCCCCCCCC=O	198.34	unknown	https://doi.org/10.1021/JF60218A022
> 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	https://doi.org/10.1080/00021369.1973.10860818
Ethyl Linoleate	5282184	Click to see CCCCCC=CCC=CCCCCCCCC(=O)OCC	308.50	unknown	https://doi.org/10.1080/00021369.1973.10860818
Linoleic Acid	5280450	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	https://doi.org/10.1016/S0300-483X(01)00466-8
Linoleic acid propyl ester	9949088	Click to see CCCCCC=CCC=CCCCCCCCC(=O)OCCC	322.50	unknown	https://doi.org/10.1080/00021369.1973.10860818
Propyl octadeca-9,12-dienoate	53645533	Click to see CCCCCC=CCC=CCCCCCCCC(=O)OCCC	322.50	unknown	https://doi.org/10.1080/00021369.1973.10860818
> Lipids and lipid-like molecules / Glycerolipids / Monoradylglycerols / Monoacylglycerols / 1-monoacylglycerols
[(2R)-2,3-dihydroxypropyl] heptadecanoate	96367592	Click to see CCCCCCCCCCCCCCCCC(=O)OCC(CO)O	344.50	unknown	https://doi.org/10.1016/0031-9422(84)83081-2 https://doi.org/10.1016/0031-9422(81)80037-4
> Lipids and lipid-like molecules / Glycerophospholipids / Glycerophosphocholines / Phosphatidylcholines
2-[2,3-bis[[(E)-nonadec-9-enoyl]oxy]propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium	6850739	Click to see CCCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCCC	815.20	unknown	https://doi.org/10.1093/JXB/36.8.1257
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
(1S)-1-[(2S,4aS,4bR,5R,8aS,10aS)-5-hydroxy-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-yl]ethane-1,2-diol	162947272	Click to see CC1(CCC(C2(C1CCC3C2CCC(C3)(C)C(CO)O)C)O)C	324.50	unknown	https://doi.org/10.1002/CHIN.200648187
1-(5-hydroxy-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-yl)ethane-1,2-diol	162947271	Click to see CC1(CCC(C2(C1CCC3C2CCC(C3)(C)C(CO)O)C)O)C	324.50	unknown	https://doi.org/10.1002/CHIN.200648187
alpha-Tocopherolquinone	2734086	Click to see CC1=C(C(=O)C(=C(C1=O)C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O)C	446.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / C19-gibberellins / C19-gibberellin 6-carboxylic acids
Gibberellin A29	14605548	Click to see CC12CC(CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O	348.40	unknown	https://doi.org/10.1016/S0031-9422(00)80805-5
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
(-)-Citronellol	7793	Click to see CC(CCC=C(C)C)CCO	156.26	unknown	via CMAUP database
3,7-Dimethyl-6-octen-1-ylacetate	21612892	Click to see CC(CCCC(=O)[O-])CCC=C(C)C	197.29	unknown	via CMAUP database
beta-CITRONELLOL, (+/-)-	8842	Click to see CC(CCC=C(C)C)CCO	156.26	unknown	via CMAUP database
Citral	638011	Click to see CC(=CCCC(=CC=O)C)C	152.23	unknown	https://doi.org/10.1021/JF60218A022
D-Citronellol	101977	Click to see CC(CCC=C(C)C)CCO	156.26	unknown	via CMAUP database
Geraniol	637566	Click to see CC(=CCCC(=CCO)C)C	154.25	unknown	https://doi.org/10.1021/JF60220A012
Geranylacetone	1549778	Click to see CC(=CCCC(=CCCC(=O)C)C)C	194.31	unknown	https://doi.org/10.1021/JF60218A022
Linalool, (+/-)-	6549	Click to see CC(=CCCC(C)(C=C)O)C	154.25	unknown	https://doi.org/10.1021/JF00125A044 https://doi.org/10.1021/JF00064A054
Myrcene	31253	Click to see CC(=CCCC(=C)C=C)C	136.23	unknown	https://doi.org/10.1021/JF00125A044 https://doi.org/10.1021/JF60218A022
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
4-Isopropylbenzyl alcohol	325	Click to see CC(C)C1=CC=C(C=C1)CO	150.22	unknown	via CMAUP database
Carvacrol	10364	Click to see CC1=C(C=C(C=C1)C(C)C)O	150.22	unknown	https://doi.org/10.1021/JF60218A022
Thymol	6989	Click to see CC1=CC(=C(C=C1)C(C)C)O	150.22	unknown	https://doi.org/10.1021/JF60218A022
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(-)-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
(+)-alpha-Pinene	82227	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	via CMAUP database
(+)-Camphor	9543187	Click to see CC1(C2CCC1(C(=O)C2)C)C	152.23	unknown	via CMAUP database
(1S,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane	101629835	Click to see CC1CCC2(C1C2)C(C)C	138.25	unknown	via CMAUP database
(1S,5R,6S)-2,7,7-Trimethylbicyclo[3.1.1]hept-2-en-6-ol	71361104	Click to see CC1=CCC2C(C1C2(C)C)O	152.23	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
3-Carene	26049	Click to see CC1=CCC2C(C1)C2(C)C	136.23	unknown	via CMAUP database
3-Pinanone	11038	Click to see CC1C2CC(C2(C)C)CC1=O	152.23	unknown	via CMAUP database
alpha-PINENE	6654	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	https://doi.org/10.1021/JF60218A022
beta-Pinene	14896	Click to see CC1(C2CCC(=C)C1C2)C	136.23	unknown	https://doi.org/10.1021/JF60230A020
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
d-Camphor	230921	Click to see CC1(C2CCC1(C(=O)C2)C)C	152.23	unknown	via CMAUP database
Sabinen	18818	Click to see CC(C)C12CCC(=C)C1C2	136.23	unknown	via CMAUP database
Sabinene	10887971	Click to see CC(C)C12CCC(=C)C1C2	136.23	unknown	via CMAUP database
Sabinene hydrate	62367	Click to see CC(C)C12CCC(C1C2)(C)O	154.25	unknown	via CMAUP database
Tricyclene	79035	Click to see CC1(C2CC3C1(C3C2)C)C	136.23	unknown	via CMAUP database
Verbenene	6427476	Click to see CC1(C2CC1C(=C)C=C2)C	134.22	unknown	https://doi.org/10.1021/JF071646E
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
(-)-cis-Carveol	330573	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	via CMAUP database
(-)-trans-Carveol	94221	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	via CMAUP database
(+)-cis-Carveol	443177	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	via CMAUP database
(+)-trans-Carveol	443178	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	via CMAUP database
[(1S,2R,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate	40488241	Click to see CC1CCC(CC1OC(=O)C)C(=C)C	196.29	unknown	via CMAUP database
Alpha-Terpineol	17100	Click to see CC1=CCC(CC1)C(C)(C)O	154.25	unknown	https://doi.org/10.1021/JF60220A012
Dihydrocarvyl acetate	30248	Click to see CC1CCC(CC1OC(=O)C)C(=C)C	196.29	unknown	via CMAUP database
Limonene, (+/-)-	22311	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	https://doi.org/10.1021/JF60220A012 https://doi.org/10.1021/JF00125A044 https://doi.org/10.1021/JF60230A020 https://doi.org/10.1021/JF60218A022
> 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	https://doi.org/10.1016/0165-1218(84)90058-2
Covi-ox	6560141	Click to see CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C	430.70	unknown	https://doi.org/10.1016/0165-1218(84)90058-2
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin K compounds
Vitamin K	5280483	Click to see CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C	450.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(+)-Cyclosativene	519960	Click to see CC(C)C1CCC2(C3C1C4C2(C4C3)C)C	204.35	unknown	https://doi.org/10.1021/JF00125A044 https://doi.org/10.1021/JF00064A054
(+)-delta-Cadinene	441005	Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C	204.35	unknown	https://doi.org/10.1021/JF00125A044
(10-Hydroxy-2,6,10-trimethyl-8-oxododeca-2,6,11-trien-4-yl) acetate	162896611	Click to see CC(=CC(CC(=CC(=O)CC(C)(C=C)O)C)OC(=O)C)C	294.40	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
(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/JF00125A044
(1S,2S,6S,7R,8R)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene	101607926	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF00125A044 https://doi.org/10.1021/JF00064A054 https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF00125A044 https://doi.org/10.1021/JF00064A054
(E,Z)-farnesol	1549109	Click to see CC(=CCCC(=CCCC(=CCO)C)C)C	222.37	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/10.1021/JF00125A044
1,3,3-trimethyl-2-[(1E,3E,7E,15E,18E)-3,7,12,16-tetramethyl-18-(2,2,6-trimethylcyclohexylidene)octadeca-1,3,7,15-tetraen-5,9,13-triynyl]cyclohexene	51035411	Click to see CC1CCCC(C1=CCC(=CC#CC(C)CC#CC=C(C)C#CC=C(C)C=CC2=C(CCCC2(C)C)C)C)(C)C	534.90	unknown	via CMAUP database
3,6,19-Trimethyl-9-prop-1-en-2-yl-16-oxapentacyclo[12.5.1.03,11.06,10.017,20]icos-13-en-17-ol	78412746	Click to see CC1CC2(C3C1CC4(CCC5(CCC(C5C4CC=C3CO2)C(=C)C)C)C)O	370.60	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
3,7(11)-Eudesmadiene	522296	Click to see CC1=CCCC2(C1CC(=C(C)C)CC2)C	204.35	unknown	via CMAUP database
3a(1H)-Azulenol, 2,3,4,5,8,8a-hexahydro-6,8a-dimethyl-3-(1-methylethyl)-, [3R-(3alpha,3aalpha,8aalpha)]-	6432448	Click to see CC1=CCC2(CCC(C2(CC1)O)C(C)C)C	222.37	unknown	via CMAUP database
alpha-Muurolene	12306047	Click to see CC1=CC2C(CC1)C(=CCC2C(C)C)C	204.35	unknown	https://doi.org/10.1021/JF00125A044
beta-Copaene	57339298	Click to see CC(C)C1CCC2(C3C1C2C(=C)CC3)C	204.35	unknown	https://doi.org/10.1021/JF00125A044
beta-Farnesene	5281517	Click to see CC(=CCCC(=CCCC(=C)C=C)C)C	204.35	unknown	https://doi.org/10.1021/JF00125A044
beta-Ionone	638014	Click to see CC1=C(C(CCC1)(C)C)C=CC(=O)C	192.30	unknown	https://doi.org/10.1021/JF60230A020 https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF60220A012
Cadina-1(10),4-diene	10223	Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C	204.35	unknown	https://doi.org/10.1021/JF00125A044
Caryophyllene	5281515	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	https://doi.org/10.1021/JF00125A044 https://doi.org/10.1021/JF00064A054 https://doi.org/10.1021/JF60218A022
Caryophyllene,alpha + beta mixt.	5354499	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF00125A044
CID 16396350	16396350	Click to see CC1(CCCC2(C3C1C(C2=C)CC3)C)C	204.35	unknown	https://doi.org/10.1021/JF00064A054
cis,cis-Farnesol	1549107	Click to see CC(=CCCC(=CCCC(=CCO)C)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/10.1021/JF00125A044
Cubenol	11770062	Click to see CC1CCC(C2C1(CCC(=C2)C)O)C(C)C	222.37	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
Farnesol	3327	Click to see CC(=CCCC(=CCCC(=CCO)C)C)C	222.37	unknown	via CMAUP database
Longifolene	289151	Click to see CC1(CCCC2(C3C1C(C2=C)CC3)C)C	204.35	unknown	https://doi.org/10.1021/JF00064A054
Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethylidene)-, (4aR-trans)-	6432648	Click to see CC1=CCCC2(C1CC(=C(C)C)CC2)C	204.35	unknown	via CMAUP database
Thujopsadiene	6428961	Click to see CC1=CCC2(CC=CC(C23C1C3)(C)C)C	202.33	unknown	https://doi.org/10.1021/JF071646E
trans,trans-Farnesol	445070	Click to see CC(=CCCC(=CCCC(=CCO)C)C)C	222.37	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Abscisic acids and derivatives
(+)-8'-Hydroxyabscisic acid	11954194	Click to see CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)CO	280.32	unknown	https://doi.org/10.1016/S0031-9422(00)95273-7
(+)-Abscisic acid	5375200	Click to see CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C	264.32	unknown	https://doi.org/10.1007/BF00391272 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1055971/
(2Z,4E)-5-[(1S,3R,5S,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid	129008854	Click to see CC(=CC(=O)O)C=CC1(C2(CC(CC1(OC2)C)O)C)O	282.33	unknown	https://doi.org/10.1016/S0031-9422(00)95273-7
(2Z,4E)-5-[(1S,5S,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid	14525181	Click to see CC(=CC(=O)O)C=CC1(C2(CC(=O)CC1(OC2)C)C)O	280.32	unknown	https://doi.org/10.1016/S0031-9422(00)95273-7
(4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid	131954763	Click to see CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C	264.32	unknown	https://doi.org/10.1007/BF00391272 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1055971/
(S)-2-trans-abscisic acid	5702609	Click to see CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C	264.32	unknown	https://doi.org/10.1016/0031-9422(81)85209-0
5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid	287291	Click to see CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C	264.32	unknown	https://doi.org/10.1016/0031-9422(81)85209-0 https://doi.org/10.1016/S0031-9422(00)95273-7
5-(3,8-Dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl)-3-methylpenta-2,4-dienoic acid	72833730	Click to see CC(=CC(=O)O)C=CC1(C2(CC(CC1(OC2)C)O)C)O	282.33	unknown	https://doi.org/10.1016/S0031-9422(00)95273-7
5-(8-Hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl)-3-methylpenta-2,4-dienoic acid	539246	Click to see CC(=CC(=O)O)C=CC1(C2(CC(=O)CC1(OC2)C)C)O	280.32	unknown	https://doi.org/10.1016/S0031-9422(00)95273-7
5-[1-Hydroxy-6-(hydroxymethyl)-2,6-dimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid	73152384	Click to see CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)CO	280.32	unknown	https://doi.org/10.1016/S0031-9422(00)95273-7
Abscisic acid	5280896	Click to see CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C	264.32	unknown	https://doi.org/10.1016/0031-9422(81)85209-0 https://doi.org/10.1016/S0031-9422(00)95273-7
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
(-)-Globulol	12304985	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
(-)-Ledol	6431133	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
(+)-Globulol	12304982	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
(+)-Ledol	11074994	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
1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1aalpha,4alpha,4abeta,7alpha,7abeta,7balpha)]-	6432561	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1aalpha,4beta,4abeta,7alpha,7abeta,7balpha)]-	6432543	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
Ledol	92812	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
Ledum camphor	22297324	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
Viridiflorol	11996452	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
7-epi-alpha-Selinene	10123	Click to see CC1=CCCC2(C1CC(CC2)C(=C)C)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids
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
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Himachalane and lippifoliane sesquiterpenoids
beta-HIMACHALENOXIDE	573697	Click to see CC1=C2CCC3(C(C2C(CCC1)(C)C)O3)C	220.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Eudesmanolides, secoeudesmanolides, and derivatives
beta-Cyclocostunolide	442192	Click to see CC12CCCC(=C)C1C3C(CC2)C(=C)C(=O)O3	232.32	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives
Costunolide	5281437	Click to see CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C	232.32	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Guaianolides and derivatives
Dehydrocostus lactone, (-)-	73174	Click to see C=C1CCC2C(C3C1CCC3=C)OC(=O)C2=C	230.30	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes
(13Z)-beta-Carotene	10256668	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/JF9708655
9-cis-beta-Carotene	9828626	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/JF9708655
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	https://doi.org/10.1271/BBB1961.49.1211
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/10.1016/S0031-9422(00)83636-5
gamma-Carotene	5280791	Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C	536.90	unknown	via CMAUP database
Lycopersene	5365816	Click to see CC(=CCCC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C	547.00	unknown	https://doi.org/10.1016/S0031-9422(00)83636-5
Neurosporene	5280789	Click to see CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C	538.90	unknown	https://doi.org/10.1016/S0031-9422(00)83636-5
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/10.1016/S0031-9422(00)83636-5
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/10.1016/S0031-9422(00)83636-5
zeta-Carotene	5280788	Click to see CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C	540.90	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
1,5,5-trimethyl-6-[(1E,3Z,5Z,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol	5316151	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
4-[18-(4-Hydroxy-2,6,6-trimethylcyclohexen-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	534748	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	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5055101/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4698241/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5642693/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4849864/ https://doi.org/10.1080/02713683.2017.1403633 https://doi.org/10.1136/BJOPHTHALMOL-2016-309814 https://doi.org/10.3928/23258160-20160601-04 https://doi.org/10.3109/13880209.2014.950673 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4788689/
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	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://www.ncbi.nlm.nih.gov/pmc/articles/PMC3705341/
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	https://doi.org/10.1007/BF00391272
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	https://doi.org/10.1002/HLCA.19290120178 https://doi.org/10.1002/HLCA.19300130215 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3705341/
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl) acetate	345510	Click to see CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C	468.80	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
[(3R,5R,8R,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	163009564	Click to see CC(CCC(C)C(=C)C)C1CCC2(C1(CCC3C2CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C	484.80	unknown	https://doi.org/10.1016/0031-9422(83)80143-5
[(3R,5R,8R,9S,10R,13R,14S,17R)-17-[(E,2R)-5,6-dimethylhept-4-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	163194983	Click to see CC(C)C(=CCC(C)C1CCC2(C1(CCC3C2CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C)C	484.80	unknown	https://doi.org/10.1016/0031-9422(83)80143-5
[(3R,5R,8R,9S,10R,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	163022910	Click to see CC(C)C(=C)CCC(C)C1CCC2(C1(CCC3C2CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C	484.80	unknown	https://doi.org/10.1016/0031-9422(83)80143-5
[(3S,4S,5S,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	14282730	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4C)OC(=O)C)C)C)C(C)C	470.80	unknown	https://doi.org/10.1016/0031-9422(81)80037-4
[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	13988616	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C)C(C)C	456.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
[(3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	13991201	Click to see CC=C(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC(=O)C)C)C)C(C)C	454.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	13322125	Click to see CC=C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(C)C	454.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2 https://doi.org/10.1016/0031-9422(81)80037-4
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	13322124	Click to see CC=C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(C)C	454.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	13988619	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(=C)C	454.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylhept-5-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	13991199	Click to see CCC(=C(C)C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C	454.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
[10,13-dimethyl-17-(5-propan-2-ylhept-5-en-2-yl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	85748806	Click to see CC=C(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC(=O)C)C)C)C(C)C	454.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
[17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	15921	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(C)C	454.70	unknown	https://doi.org/10.1016/0031-9422(81)80037-4 https://doi.org/10.1016/0031-9422(84)83081-2
[17-(5-ethyl-6-methylhept-5-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	13991198	Click to see CCC(=C(C)C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C	454.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
[17-(5-ethyl-6-methylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	13988618	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(=C)C	454.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
[17-(5-ethyl-6-methylheptan-2-yl)-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	14282729	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4C)OC(=O)C)C)C)C(C)C	470.80	unknown	https://doi.org/10.1016/0031-9422(81)80037-4
[17-(5,6-dimethylhept-4-en-2-yl)-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	162911177	Click to see CC(C)C(=CCC(C)C1CCC2(C1(CCC3C2CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C)C	484.80	unknown	https://doi.org/10.1016/0031-9422(83)80143-5
[17-(5,6-dimethylhept-6-en-2-yl)-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	163009563	Click to see CC(CCC(C)C(=C)C)C1CCC2(C1(CCC3C2CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C	484.80	unknown	https://doi.org/10.1016/0031-9422(83)80143-5
[4,4,10,13,14-pentamethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	163022909	Click to see CC(C)C(=C)CCC(C)C1CCC2(C1(CCC3C2CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C	484.80	unknown	https://doi.org/10.1016/0031-9422(83)80143-5
5-Dihydroclionasterol acetate	529825	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C)C(C)C	458.80	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
5alpha-Stigmast-7-en-3beta-ol, acetate	22296968	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC(=O)C)C)C)C(C)C	456.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
alpha-Amyrenyl acetate	92842	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C	468.80	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
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/10.1016/0031-9422(84)83081-2 https://doi.org/10.1016/S0031-9422(00)81419-3
alpha-Amyrin acetate	293754	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C	468.80	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
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/10.1016/0031-9422(84)83081-2 https://doi.org/10.1016/S0031-9422(00)81419-3
beta-Amyrin acetate	92156	Click to see CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C	468.80	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
beta-Sitosterol acetate	5354503	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(C)C	456.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2 https://doi.org/10.1016/0031-9422(81)80037-4
Olean-12-en-3beta-ol	225689	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/10.1016/0031-9422(84)83081-2
Stigmast-5-en-3-yl acetate	521199	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(C)C	456.70	unknown	https://doi.org/10.1016/0031-9422(81)80037-4 https://doi.org/10.1016/0031-9422(84)83081-2
Stigmast-7-en-3-ol, acetate, (3beta,5alpha)-	635170	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC(=O)C)C)C)C(C)C	456.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
Stigmastanol acetate	13988628	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C)C(C)C	458.80	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
Stigmastanol ferulate	131753037	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C=CC5=CC(=C(C=C5)O)OC)C)C)C(C)C	592.90	unknown	https://doi.org/10.1007/BF02537832
Stigmasterol acetate	6437330	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(C)C	454.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2 https://doi.org/10.1016/0031-9422(81)80037-4
Urs-12-en-3beta-ol	225688	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C	426.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
> 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
17-(3-hydroxy-5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol	73229502	Click to see CC(C)C(C)CC(C(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O	418.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.03.007
6-Deoxocathasterone	16061344	Click to see CC(C)C(C)CC(C(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O	418.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.03.007
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives / Tetrahydroxy bile acids, alcohols and derivatives
24-epi-Castasterone	13039027	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O	464.70	unknown	https://doi.org/10.1271/BBB1961.50.3133
Castasterone	133534	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O	464.70	unknown	https://doi.org/10.1271/BBB1961.50.3133
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives / Trihydroxy bile acids, alcohols and derivatives
(3R,5S,8S,9S,10R,13R,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one	13475124	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C)O)O	448.70	unknown	https://doi.org/10.1271/BBB1961.50.3133
(3S,5S,8S,9S,10R,13R,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one	162934047	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C)O)O	448.70	unknown	https://doi.org/10.1271/BBB1961.50.3133
(3S,5S,8S,9S,10R,13S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one	23724583	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C)O)O	448.70	unknown	https://doi.org/10.1271/BBB1961.50.3133
2-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-5,6-dimethylheptane-3,4-diol	73229504	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)O	434.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.03.007
6-Deoxoteasterone	11144580	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)O	434.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.03.007
6-Deoxotyphasterol	16061346	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)O	434.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2005.03.007
Teasterone	13475125	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C)O)O	448.70	unknown	https://doi.org/10.1271/BBB1961.50.3133
Typhasterol	13475120	Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C)O)O	448.70	unknown	https://doi.org/10.1271/BBB1961.50.3133
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cholestane steroids / Cholesterols and derivatives
[(3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	163034381	Click to see CC1C(CCC2(C1CC=C3C2CCC4(C3CCC4C(C)CCCC(C)C)C)C)OC(=O)C	442.70	unknown	https://doi.org/10.1016/0031-9422(81)80037-4
[4,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	85948745	Click to see CC1C(CCC2(C1CC=C3C2CCC4(C3CCC4C(C)CCCC(C)C)C)C)OC(=O)C	442.70	unknown	https://doi.org/10.1016/0031-9422(81)80037-4
2,15-Dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol	304	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	386.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
Cholestanol	3240	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C	388.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
Cholestanol acetate	13089874	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C	430.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
Cholesterol	5997	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	386.70	unknown	https://doi.org/10.1016/0031-9422(95)00435-A https://doi.org/10.1016/0031-9422(84)83081-2
Dihydrocholesterol	6665	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C	388.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
Lathosterol	65728	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C	386.70	unknown	https://doi.org/10.1016/0031-9422(95)00435-A
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cycloartanols and derivatives
(23E) cyclosadol	44423567	Click to see CC(C)C(=CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C)C	440.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2 https://doi.org/10.1016/0031-9422(81)80037-4
(3R,6S,8R,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	145925700	Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C	426.70	unknown	https://doi.org/10.1016/S0031-9422(00)81419-3
[(1S,3R,6S,7S,8S,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate	14282742	Click to see CC1C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1OC(=O)C)C)C(C)CCC(=C)C(C)C)C	468.80	unknown	https://doi.org/10.1016/0031-9422(81)80037-4
[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(E,2R)-5,6-dimethylhept-4-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate	59223580	Click to see CC(C)C(=CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)C)C)C	482.80	unknown	https://doi.org/10.1016/0031-9422(84)83081-2 https://doi.org/10.1016/0031-9422(81)80037-4
[15-(5,6-Dimethylhept-4-en-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate	162925592	Click to see CC(C)C(=CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)C)C)C	482.80	unknown	https://doi.org/10.1016/0031-9422(84)83081-2 https://doi.org/10.1016/0031-9422(81)80037-4
[15-(5,6-Dimethylhept-6-en-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate	14312788	Click to see CC(CCC(C)C(=C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)C)C	482.80	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
15-(5,6-Dimethylhept-4-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol	91444391	Click to see CC(C)C(=CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C)C	440.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2 https://doi.org/10.1016/0031-9422(81)80037-4
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/10.1016/0031-9422(84)83081-2
24-Methylenecycloartanol acetate	13151740	Click to see CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)C)C	482.80	unknown	https://doi.org/10.1016/0031-9422(84)83081-2 https://doi.org/10.1016/0031-9422(81)80037-4
3beta-24-Methylenecycloartan-3-ol	544165	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/10.1016/0031-9422(84)83081-2
7,7,12,16-Tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadec-8-en-6-ol	162820419	Click to see CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CC=C5C3(C4)CCC(C5(C)C)O)C)C	438.70	unknown	https://doi.org/10.1016/S0031-9422(00)81419-3
9,19-Cyclo-9beta-lanost-24-en-3beta-ol	500213	Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C	426.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
9,19-Cyclolanost-24-en-3-ol, acetate, (3beta)-	518616	Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)C)C	468.80	unknown	https://doi.org/10.1016/0031-9422(81)80037-4 https://doi.org/10.1016/0031-9422(84)83081-2
9,19-Cyclolanost-25-en-3-ol, 24-methyl-, (3beta,24S)-	550205	Click to see CC(CCC(C)C(=C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C	440.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
9,19-Cyclolanostan-3-ol, 24-methylene-, 3-acetate, (3beta)-	550623	Click to see CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)C)C	482.80	unknown	https://doi.org/10.1016/0031-9422(84)83081-2 https://doi.org/10.1016/0031-9422(81)80037-4
Cycloartanol	12760132	Click to see CC(C)CCCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C	428.70	unknown	https://doi.org/10.1016/S0031-9422(00)81419-3
Cycloartenol	92110	Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C	426.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
Cycloartenol acetate	13023741	Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)C)C	468.80	unknown	https://doi.org/10.1016/0031-9422(81)80037-4 https://doi.org/10.1016/0031-9422(84)83081-2
Cycloeucalenol	101690	Click to see CC1C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1O)C)C(C)CCC(=C)C(C)C)C	426.70	unknown	https://doi.org/10.1016/S0031-9422(00)81419-3
Cycloeucalenol acetate	537081	Click to see CC1C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1OC(=O)C)C)C(C)CCC(=C)C(C)C)C	468.80	unknown	https://doi.org/10.1016/0031-9422(81)80037-4
Cyclolaudenol	101729	Click to see CC(CCC(C)C(=C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C	440.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
Cyclolaudenyl acetate	14312790	Click to see CC(CCC(C)C(=C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)C)C	482.80	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
(1S,3R,6S,8S,11S,12S,15R,16R)-15-[(2R,5R)-5,6-dimethylheptan-2-yl]-12,16-dimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol	101826502	Click to see CC(C)C(C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5)O)C)C	414.70	unknown	https://doi.org/10.1016/S0031-9422(00)81419-3
(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/BF02856537 https://doi.org/10.1080/00021369.1977.10862472 https://doi.org/10.1016/S0031-9422(00)81419-3
10,13-dimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	12309689	Click to see CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C	398.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	86576	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	398.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
17-(5,6-dimethylhept-4-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	76089967	Click to see CC(C)C(=CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C	398.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
17-(5,6-dimethylhept-4-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	72731333	Click to see CC(C)C(=CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C	398.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
17-(5,6-dimethylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	13833112	Click to see CC(CCC(C)C(=C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	398.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	86509	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C	400.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
22,23-Dihydrobrassicasterol	5283637	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	400.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2 https://doi.org/10.1016/0031-9422(95)00435-A
24-methylcholesta-5,23E-dien-3beta-ol	5283652	Click to see CC(C)C(=CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C	398.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
24-Methylene pollinastanol	118987255	Click to see CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5)O)C)C	412.70	unknown	https://doi.org/10.1016/S0031-9422(00)81419-3
24-Methylenecholesterol	92113	Click to see CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	398.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2 https://doi.org/10.1016/S0031-9422(00)81419-3
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/10.1080/00021369.1977.10862472 https://doi.org/10.1007/BF02856537 https://doi.org/10.1016/0031-9422(84)83081-2
Brassicasterol	5281327	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	398.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
Campest-7-en-3beta-ol	5283672	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C	400.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
Campestanol	119394	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C	402.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
Campesterol	173183	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	400.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
CID 12358784	12358784	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	400.70	unknown	https://doi.org/10.1016/0031-9422(83)80016-8
Codisterol	13833114	Click to see CC(CCC(C)C(=C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	398.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
Episterol	5283662	Click to see CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C	398.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
Ergosta-5,24(28)-dien-3beta-ol	314582	Click to see CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	398.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
Ergosta-7,23-dien-3-ol, (3beta,5alpha,23E)-	162886781	Click to see CC(C)C(=CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C	398.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
Ergostan-3-ol, (3beta,5alpha)-	612090	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C	402.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
Fecosterol	440371	Click to see CC(C)C(=C)CCC(C)C1CCC2C1(CCC3=C2CCC4C3(CCC(C4)O)C)C	398.70	unknown	https://doi.org/10.1016/S0031-9422(00)81419-3
Obtusifoliol	65252	Click to see CC1C2CCC3=C(C2(CCC1O)C)CCC4(C3(CCC4C(C)CCC(=C)C(C)C)C)C	426.70	unknown	https://doi.org/10.1016/S0031-9422(00)81419-3
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Oxosteroids
17-(5-Hydroxy-6-methylhept-6-en-2-yl)-4,5,9,13,14-pentamethyl-1,2,4,6,7,8,10,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one	74343713	Click to see CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC4C(C)CCC(C(=C)C)O)C)C)C)C	442.70	unknown	https://doi.org/10.1016/S0031-9422(00)97222-4
dimethyl (2R,3S,4S,4aS,4bS,5R,7R,8aR,9R,10aS)-4,5-dibenzoyloxy-7-ethenyl-8a,9-dihydroxy-1,1,4a,7-tetramethyl-8-oxo-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-2,3-dicarboxylate	162888893	Click to see CC1(C2CC(C3(C(C2(C(C(C1C(=O)OC)C(=O)OC)OC(=O)C4=CC=CC=C4)C)C(CC(C3=O)(C)C=C)OC(=O)C5=CC=CC=C5)O)O)C	676.70	unknown	https://doi.org/10.1002/CHIN.200648187
dimethyl 4,5-dibenzoyloxy-7-ethenyl-8a,9-dihydroxy-1,1,4a,7-tetramethyl-8-oxo-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-2,3-dicarboxylate	162888892	Click to see CC1(C2CC(C3(C(C2(C(C(C1C(=O)OC)C(=O)OC)OC(=O)C4=CC=CC=C4)C)C(CC(C3=O)(C)C=C)OC(=O)C5=CC=CC=C5)O)O)C	676.70	unknown	https://doi.org/10.1002/CHIN.200648187
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Pregnane steroids / Gluco/mineralocorticoids, progestogins and derivatives
[(3R,5S,8S,9S,10S,11R,13R,14S,17R)-17-ethenyl-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate	25180961	Click to see CC(=O)OC1CC2(C(CCC2C3C1C4(CCC(CC4CC3)O)C)C=C)C	360.50	unknown	https://doi.org/10.1021/JF001399D https://doi.org/10.1007/S11745-998-0243-5
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid esters
[(3S,4S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate	14282746	Click to see CC1C2CCC3=C(C2(CCC1OC(=O)C)C)CCC4(C3(CCC4C(C)CCC(=C)C(C)C)C)C	468.80	unknown	https://doi.org/10.1016/0031-9422(81)80037-4
[(3S,4S,5S,9R,10S,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	14282727	Click to see CC1C(CCC2(C1CC=C3C2CCC4(C3CCC4C(C)CCC(C)C(C)C)C)C)OC(=O)C	456.70	unknown	https://doi.org/10.1016/0031-9422(81)80037-4
[(3S,4S,5S,9R,10S,13R,14R,17R)-17-[(E,2R)-5,6-dimethylhept-4-en-2-yl]-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	163029898	Click to see CC1C(CCC2(C1CC=C3C2CCC4(C3CCC4C(C)CC=C(C)C(C)C)C)C)OC(=O)C	454.70	unknown	https://doi.org/10.1016/0031-9422(81)80037-4
[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate	163188783	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C=CC5=CC=C(C=C5)O)C)C	548.80	unknown	https://doi.org/10.1007/BF02537832
[(3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	13991209	Click to see CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC(=O)C)C)C	440.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R)-5,6-dimethylhept-4-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	163073384	Click to see CC(C)C(=CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC(=O)C)C)C)C	440.70	unknown	https://doi.org/10.1016/0031-9422(79)80136-3 https://doi.org/10.1016/0031-9422(84)83081-2
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	11259252	Click to see CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C	440.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2 https://doi.org/10.1016/0031-9422(81)80037-4
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	162983655	Click to see CC(CCC(C)C(=C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C	440.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-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-yl] acetate	13019958	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C	442.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-5,6-dimethylhept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	162908120	Click to see CC(C)C(=CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C	440.70	unknown	https://doi.org/10.1016/0031-9422(79)80136-3 https://doi.org/10.1016/0031-9422(84)83081-2 https://doi.org/10.1016/0031-9422(81)80037-4
[10,13-dimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	13991204	Click to see CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C	440.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2 https://doi.org/10.1016/0031-9422(81)80037-4
[17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	529823	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C	440.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
[17-(5,6-dimethylhept-4-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	163073382	Click to see CC(C)C(=CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC(=O)C)C)C)C	440.70	unknown	https://doi.org/10.1016/0031-9422(79)80136-3 https://doi.org/10.1016/0031-9422(84)83081-2
[17-(5,6-dimethylhept-4-en-2-yl)-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	78409249	Click to see CC1C(CCC2(C1CC=C3C2CCC4(C3CCC4C(C)CC=C(C)C(C)C)C)C)OC(=O)C	454.70	unknown	https://doi.org/10.1016/0031-9422(81)80037-4
[17-(5,6-dimethylhept-5-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	633274	Click to see CC(CCC(=C(C)C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C	440.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
[17-(5,6-dimethylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	78409704	Click to see CC(CCC(C)C(=C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C	440.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
[17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	521145	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C	444.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
[17-(5,6-dimethylheptan-2-yl)-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	14282726	Click to see CC1C(CCC2(C1CC=C3C2CCC4(C3CCC4C(C)CCC(C)C(C)C)C)C)OC(=O)C	456.70	unknown	https://doi.org/10.1016/0031-9422(81)80037-4
[4,10,13,14-Tetramethyl-17-(6-methyl-5-methylideneheptan-2-yl)-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate	14282745	Click to see CC1C2CCC3=C(C2(CCC1OC(=O)C)C)CCC4(C3(CCC4C(C)CCC(=C)C(C)C)C)C	468.80	unknown	https://doi.org/10.1016/0031-9422(81)80037-4
22-Dihydrobrassicasterol acetate	314396	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C	442.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2 https://doi.org/10.1016/0031-9422(81)80037-4
Campestanol acetate	14186068	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C	444.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
Campestanyl ferulate	13786591	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C=CC5=CC(=C(C=C5)O)OC)C)C	578.90	unknown	https://doi.org/10.1007/BF02537832
Campesteryl acetate	13019955	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C	442.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2 https://doi.org/10.1016/0031-9422(81)80037-4
Ergosta-5,22-dien-3-ol, acetate, (3beta,22E)-	13889457	Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C	440.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
Ergosta-5,24-dien-3beta-ol, acetate	15768269	Click to see CC(CCC(=C(C)C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C	440.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid esters / Cholesteryl esters
Cholest-5-en-3-yl acetate	222529	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C	428.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
Cholesteryl acetate	2723897	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C	428.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(24E)-24-N-Propylidenecholesterol	5281328	Click to see CC=C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
(3beta,24xi)-Stigmast-5-en-3-ol	9823110	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	https://doi.org/10.1016/0031-9422(83)80016-8
(3R,8R,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene	50930798	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)C)C)C)C(C)C	410.70	unknown	via CMAUP database
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5S)-5-Ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	12314479	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://doi.org/10.1039/JR9400001545 https://doi.org/10.1248/CPB.55.153
(8R,9S,10R,13R,14R)-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	137706654	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	https://doi.org/10.1016/0031-9422(83)80016-8
10,13-dimethyl-17-(5-propan-2-ylhept-5-en-2-yl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	74059587	Click to see CC=C(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
10,13-dimethyl-17-(5-propan-2-ylhept-5-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	86747	Click to see CC=C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
14-(5-Ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,9-diol	5318414	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C)C(C)C	430.70	unknown	https://doi.org/10.1248/CPB.55.153
17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol	72576472	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	122544	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://doi.org/10.1039/JR9400001545 https://doi.org/10.1016/0031-9422(84)83081-2 https://doi.org/10.1248/CPB.55.153
17-(5-ethyl-6-methylhept-5-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	9801810	Click to see CCC(=C(C)C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	412.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol	6743	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C(C)C	416.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
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/10.1055/S-2006-957441 https://doi.org/10.1016/0031-9422(95)00435-A https://doi.org/10.1007/BF02856537 https://doi.org/10.1016/0165-1218(84)90058-2 https://doi.org/10.1080/00021369.1977.10862472 https://doi.org/10.1248/CPB.55.153 https://doi.org/10.1016/0031-9422(83)80016-8 https://doi.org/10.1016/0031-9422(84)83081-2
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/10.1080/00021369.1977.10862472 https://doi.org/10.1016/0031-9422(83)80016-8 https://doi.org/10.1016/0031-9422(95)00435-A https://doi.org/10.1007/BF02856537 https://doi.org/10.1016/0165-1218(84)90058-2
24-Ethylcholesta-5,24-dien-3beta-ol	5283643	Click to see CCC(=C(C)C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	412.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
3-Hydroxystigmast-5-en-7-one	160608	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C)C(C)C	428.70	unknown	https://doi.org/10.1248/CPB.55.153
3beta-Hydroxyporiferast-5-en-7-one	14779505	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C)C(C)C	428.70	unknown	https://doi.org/10.1248/CPB.55.153
5,25-Stigmastadienol	286499	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(=C)C	412.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
7beta-Hydroxysitosterol	12309569	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C)C(C)C	430.70	unknown	https://doi.org/10.1248/CPB.55.153
Beta-Sitosterol	222284	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2 https://doi.org/10.1248/CPB.55.153
Clerosterol	5283638	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(=C)C	412.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
delta7-Avenasterol	12795736	Click to see CC=C(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
delta7Stigmastenol	521367	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
Fucosterol	5281326	Click to see CC=C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://doi.org/10.1016/0031-9422(95)00435-A https://doi.org/10.1016/0031-9422(84)83081-2 https://doi.org/10.1016/S0031-9422(00)81419-3
Ikshusterol	161816	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C)C(C)C	430.70	unknown	https://doi.org/10.1248/CPB.55.153
Schottenol	441837	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
Sitostenone	579897	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(C)C	412.70	unknown	https://doi.org/10.1248/CPB.55.153
Stigmast-22E-en-3beta-ol	5283650	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
Stigmast-4-en-3-one	5484202	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(C)C	412.70	unknown	https://doi.org/10.1248/CPB.55.153
Stigmastanol	241572	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C(C)C	416.70	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
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/10.1016/0031-9422(84)83081-2 https://doi.org/10.1016/0031-9422(95)00435-A https://doi.org/10.1080/00021369.1977.10862472 https://doi.org/10.1016/S0031-9422(00)81419-3 https://doi.org/10.1007/BF02856537 https://doi.org/10.1248/CPB.55.153 https://doi.org/10.1016/0031-9422(83)80016-8 https://doi.org/10.1055/S-2006-957441
> Nucleosides, nucleotides, and analogues / Nucleoside and nucleotide analogues
5-(4-Amino-2-oxo-1(2h)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester	20712955	Click to see CC1CCC(C(C1)OC(=O)C2OC(CS2)N3C=CC(=NC3=O)N)C(C)C	381.50	unknown	via CMAUP database
> Nucleosides, nucleotides, and analogues / Purine nucleosides
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolane-3,4-diol	5529	Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)CO	351.36	unknown	https://doi.org/10.1093/JXB/ERF077 https://doi.org/10.1126/SCIENCE.157.3792.1055 https://doi.org/10.1016/0031-9422(73)80453-4 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1092142/
2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol	191	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N	267.24	unknown	https://doi.org/10.1248/CPB.55.153
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one	6802	Click to see C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N	283.24	unknown	https://doi.org/10.1248/CPB.55.153
2-amino-9-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one	7059425	Click to see C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N	283.24	unknown	https://doi.org/10.1248/CPB.55.153
9-alpha-Ribofuranosyladenine	448378	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N	267.24	unknown	https://doi.org/10.1248/CPB.55.153
Adenosine	60961	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N	267.24	unknown	https://doi.org/10.1248/CPB.55.153
CID 765	765	Click to see C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N	283.24	unknown	https://doi.org/10.1248/CPB.55.153
N-(9-Pentofuranosyl-9H-purin-6-yl)aspartic acid	14803430	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)NC(CC(=O)O)C(=O)O	383.31	unknown	https://doi.org/10.1016/0031-9422(73)80453-4
Succinyladenosine	20849086	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)NC(CC(=O)O)C(=O)O	383.31	unknown	https://doi.org/10.1016/0031-9422(73)80453-4
Zeatin riboside	6440982	Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)CO	351.36	unknown	https://doi.org/10.1016/0031-9422(73)80453-4
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / L-alpha-amino acids
Lysine	5962	Click to see C(CCN)CC(C(=O)O)N	146.19	unknown	https://doi.org/10.1021/JF60198A015
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Amino acids and derivatives / Gamma amino acids and derivatives
Gamma-Aminobutyric Acid	119	Click to see C(CC(=O)O)CN	103.12	unknown	https://doi.org/10.1016/S0031-9422(00)89362-0
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
Ethyl Acetate	8857	Click to see CCOC(=O)C	88.11	unknown	https://doi.org/10.1021/JF60220A012
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
(1R,2S,3S,4R,8R,9R,11R)-8-formyl-11-hydroxy-4-methyl-12-methylidenetetracyclo[9.2.2.01,9.03,8]pentadecane-2,4-dicarboxylic acid	163098010	Click to see CC1(CCCC2(C1C(C34C2CC(CC3)(C(=C)C4)O)C(=O)O)C=O)C(=O)O	362.40	unknown	https://doi.org/10.1016/S0031-9422(00)95273-7
(1R,2S,3S,4R,8S,9S,11R)-11-hydroxy-4,8-dimethyl-12-methylidenetetracyclo[9.2.2.01,9.03,8]pentadecane-2,4-dicarboxylic acid	162975450	Click to see CC12CCCC(C1C(C34C2CC(CC3)(C(=C)C4)O)C(=O)O)(C)C(=O)O	348.40	unknown	https://doi.org/10.1016/S0031-9422(00)95273-7
(1R,2S,3S,4R,8S,9S,11S,12S)-12-(hydroxymethyl)-4,8-dimethyltetracyclo[9.2.2.01,9.03,8]pentadecane-2,4-dicarboxylic acid	162903999	Click to see CC12CCCC(C1C(C34C2CC(CC3)C(C4)CO)C(=O)O)(C)C(=O)O	350.40	unknown	https://doi.org/10.1016/S0031-9422(00)95273-7
11-Hydroxy-4,8-dimethyl-12-methylidenetetracyclo[9.2.2.01,9.03,8]pentadecane-2,4-dicarboxylic acid	162975449	Click to see CC12CCCC(C1C(C34C2CC(CC3)(C(=C)C4)O)C(=O)O)(C)C(=O)O	348.40	unknown	https://doi.org/10.1016/S0031-9422(00)95273-7
12-(Hydroxymethyl)-4,8-dimethyltetracyclo[9.2.2.01,9.03,8]pentadecane-2,4-dicarboxylic acid	162903998	Click to see CC12CCCC(C1C(C34C2CC(CC3)C(C4)CO)C(=O)O)(C)C(=O)O	350.40	unknown	https://doi.org/10.1016/S0031-9422(00)95273-7
8-Formyl-11-hydroxy-4-methyl-12-methylidenetetracyclo[9.2.2.01,9.03,8]pentadecane-2,4-dicarboxylic acid	163098009	Click to see CC1(CCCC2(C1C(C34C2CC(CC3)(C(=C)C4)O)C(=O)O)C=O)C(=O)O	362.40	unknown	https://doi.org/10.1016/S0031-9422(00)95273-7
Maleic Acid	444266	Click to see C(=CC(=O)O)C(=O)O	116.07	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
(1R,2S,3R,4R,8R,9R,11R)-11-hydroxy-4-methyl-12-methylidenetetracyclo[9.2.2.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid	163048683	Click to see CC1(CCCC2(C1C(C34C2CC(CC3)(C(=C)C4)O)C(=O)O)C(=O)O)C(=O)O	378.40	unknown	https://doi.org/10.1016/S0031-9422(00)95273-7
11-Hydroxy-4-methyl-12-methylidenetetracyclo[9.2.2.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid	163048682	Click to see CC1(CCCC2(C1C(C34C2CC(CC3)(C(=C)C4)O)C(=O)O)C(=O)O)C(=O)O	378.40	unknown	https://doi.org/10.1016/S0031-9422(00)95273-7
Aconitic acid	309	Click to see C(C(=CC(=O)O)C(=O)O)C(=O)O	174.11	unknown	https://doi.org/10.1303/AEZ.27.79
cis-Aconitic acid	643757	Click to see C(C(=CC(=O)O)C(=O)O)C(=O)O	174.11	unknown	https://doi.org/10.1303/AEZ.27.79
> Organic acids and derivatives / Organic phosphoric acids and derivatives / Phosphate esters / Alkyl phosphates / Monoalkyl phosphates
Shikimate-3-phosphate	121947	Click to see C1C(C(C(C=C1C(=O)O)OP(=O)(O)O)O)O	254.13	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC159438/
> Organic acids and derivatives / Organic sulfuric acids and derivatives / Arylsulfates / Phenylsulfates
[4-(2-Methylsulfanyl-1,3-thiazol-5-yl)phenyl] hydrogen sulfate	21776367	Click to see CSC1=NC=C(S1)C2=CC=C(C=C2)OS(=O)(=O)O	303.40	unknown	https://doi.org/10.1016/0031-9422(84)83081-2
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Secondary amines / Dialkylamines
Spermidine	1102	Click to see C(CCNCCCN)CN	145.25	unknown	https://doi.org/10.1016/S0031-9422(00)80066-7
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
Chlorogenic Acid	1794427	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	https://doi.org/10.1021/JF00019A027
> 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/JF60220A012
2-Methyl-1-butanol	8723	Click to see CCC(C)CO	88.15	unknown	https://doi.org/10.1021/JF60220A012
Isoamyl alcohol	31260	Click to see CC(C)CCO	88.15	unknown	https://doi.org/10.1021/JF60220A012
> 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
1-Hexen-3-OL	20928	Click to see CCCC(C=C)O	100.16	unknown	https://doi.org/10.1021/JF60220A012
2-Hexanol	12297	Click to see CCCCC(C)O	102.17	unknown	https://doi.org/10.1021/JF60220A012
2-Pentanol	22386	Click to see CCCC(C)O	88.15	unknown	https://doi.org/10.1021/JF60220A012
Galanal A	3050416	Click to see CC1(CCCC2(C1CCC3(C2CC=C(CC3O)C=O)C=O)C)C	318.40	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols / Cyclohexanols
(2R,3S,5R,6R)-(113C)cyclohexane-1,2,3,4,5,6-hexol	11973225	Click to see C1(C(C(C(C(C1O)O)O)O)O)O	181.15	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
Geosmin	29746	Click to see CC1CCCC2(C1(CCCC2)O)C	182.30	unknown	https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF60220A012
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
(2R)-4-hydroxy-7,8-dimethoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one	162918553	Click to see COC1=C(C2=C(C=C1)N(C(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O)O)OC	403.34	unknown	https://doi.org/10.1016/S0031-9422(00)84650-6
(2R)-7-methoxy-2-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one	162990658	Click to see COC1=CC2=C(C=C1)NC(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O	357.31	unknown	https://doi.org/10.1016/S0031-9422(00)82887-3
(2S)-4-hydroxy-7-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one	5288516	Click to see COC1=CC2=C(C=C1)N(C(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O)O	373.31	unknown	https://doi.org/10.1016/S0031-9422(00)84650-6 https://doi.org/10.1016/0040-4039(94)88287-8
(2S)-4,7-dimethoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one	51136424	Click to see COC1=CC2=C(C=C1)N(C(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O)OC	387.34	unknown	https://doi.org/10.1016/S0031-9422(00)84650-6 https://doi.org/10.1016/S0040-4039(00)99825-3 https://doi.org/10.1016/0040-4039(94)88287-8
(2S)-5-chloro-7-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one	163022747	Click to see COC1=CC2=C(C(=C1)Cl)NC(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O	391.76	unknown	https://doi.org/10.1016/S0040-4039(00)99825-3
(2S)-7-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one	71481195	Click to see COC1=CC2=C(C=C1)NC(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O	357.31	unknown	https://doi.org/10.1016/S0040-4039(00)99825-3 https://doi.org/10.1016/0040-4039(94)88287-8
2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside	77195081	Click to see COC1=C(C2=C(C=C1)N(C(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O)O)OC	403.34	unknown	https://doi.org/10.1016/S0031-9422(00)84650-6
5-chloro-7-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one	163022746	Click to see COC1=CC2=C(C(=C1)Cl)NC(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O	391.76	unknown	https://doi.org/10.1016/S0040-4039(00)99825-3
DIBOA-Glc	58114415	Click to see C1=CC=C2C(=C1)N(C(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O)O	343.29	unknown	https://doi.org/10.1016/S0031-9422(00)84650-6
DIMBOA-Glc	4480305	Click to see COC1=CC2=C(C=C1)N(C(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O)O	373.31	unknown	https://doi.org/10.1016/S0031-9422(00)84650-6 https://doi.org/10.1016/0040-4039(94)88287-8
HDMBOA-Glc	25201130	Click to see COC1=CC2=C(C=C1)N(C(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O)OC	387.34	unknown	https://doi.org/10.1016/S0031-9422(00)84650-6 https://doi.org/10.1016/S0040-4039(00)99825-3 https://doi.org/10.1016/0040-4039(94)88287-8
HMBOA-Glc	77195052	Click to see COC1=CC2=C(C=C1)NC(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O	357.31	unknown	https://doi.org/10.1016/S0031-9422(00)82887-3 https://doi.org/10.1016/S0040-4039(00)99825-3 https://doi.org/10.1016/0040-4039(94)88287-8
NCGC00385947-01_C14H17NO9_(2S)-4-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside	56776260	Click to see C1=CC=C2C(=C1)N(C(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O)O	343.29	unknown	https://doi.org/10.1016/S0031-9422(00)84650-6
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
(3R)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-3-hydroxy-2-oxo-1H-indole-3-acetic acid	162860939	Click to see C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)NC(=O)C2(CC(=O)O)O	385.32	unknown	https://doi.org/10.1080/00021369.1987.10868551 https://doi.org/10.1271/BBB1961.52.3231
2-[(3S)-3-hydroxy-2-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]acetic acid	162860940	Click to see C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)NC(=O)C2(CC(=O)O)O	385.32	unknown	https://doi.org/10.1271/BBB1961.52.3231
6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-1,3-benzoxazol-2-one	56657334	Click to see C1=CC2=C(C=C1OC3C(C(C(C(O3)CO)O)O)O)OC(=O)N2	313.26	unknown	https://doi.org/10.1021/NP0580762
BOA-6-O-glucoside	101391375	Click to see C1=CC2=C(C=C1OC3C(C(C(C(O3)CO)O)O)O)OC(=O)N2	313.26	unknown	https://doi.org/10.1021/NP0580762
CID 13988327	13988327	Click to see C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)NC(=O)C=C2C(=O)O	367.31	unknown	https://doi.org/10.1080/00021369.1989.10869701 https://doi.org/10.1271/BBB1961.52.3231
Zeanoside C	13988324	Click to see C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)NC(=O)C2(CC(=O)O)O	385.32	unknown	https://doi.org/10.1080/00021369.1989.10869701 https://doi.org/10.1080/00021369.1987.10868551 https://doi.org/10.1271/BBB1961.52.3231
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives / Glucuronic acid derivatives
(2S,3R,4R,5R,6S)-4,5,6-trihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid	131801241	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2C(=O)O)O)O)O)O)O)O	340.28	unknown	https://doi.org/10.1016/0008-6215(89)80042-4
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
2-Hexenal	5281168	Click to see CCCC=CC=O	98.14	unknown	via CMAUP database
Decanal	8175	Click to see CCCCCCCCCC=O	156.26	unknown	https://doi.org/10.1021/JF60230A020 https://doi.org/10.1021/JF60218A022
Dodecanal	8194	Click to see CCCCCCCCCCCC=O	184.32	unknown	https://doi.org/10.1021/JF60218A022
Heptanal	8130	Click to see CCCCCCC=O	114.19	unknown	https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF60230A020
Hexanal	6184	Click to see CCCCCC=O	100.16	unknown	https://doi.org/10.1021/JF60230A020 https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF00064A054 https://doi.org/10.1021/JF00125A044
Hexenal	10460	Click to see CCCC=CC=O	98.14	unknown	via CMAUP database
Nonanal	31289	Click to see CCCCCCCCC=O	142.24	unknown	https://doi.org/10.1021/JF60230A020 https://doi.org/10.1021/JF60218A022
Octanal	454	Click to see CCCCCCCC=O	128.21	unknown	https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF60230A020
Undecanal	8186	Click to see CCCCCCCCCCC=O	170.29	unknown	https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF60230A020
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Short-chain aldehydes
2-Methylbutyraldehyde	7284	Click to see CCC(C)C=O	86.13	unknown	https://doi.org/10.1021/JF60220A012
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated aldehydes / Enals
2-Methyl-pent-2-enal	12177	Click to see CCC=C(C)C=O	98.14	unknown	https://doi.org/10.1021/JF00064A054 https://doi.org/10.1021/JF00125A044
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Enones
3-Hexen-2-one	5367744	Click to see CCC=CC(=O)C	98.14	unknown	https://doi.org/10.1021/JF071646E
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
2-Decanone	12741	Click to see CCCCCCCCC(=O)C	156.26	unknown	https://doi.org/10.1021/JF60218A022
2-Heptanone	8051	Click to see CCCCCC(=O)C	114.19	unknown	https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF00125A044
2-Hexanone	11583	Click to see CCCCC(=O)C	100.16	unknown	https://doi.org/10.1021/JF60218A022
2-Methyl-3-pentanone	11265	Click to see CCC(=O)C(C)C	100.16	unknown	https://doi.org/10.1021/JF60220A012
2-Nonanone	13187	Click to see CCCCCCCC(=O)C	142.24	unknown	https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF60220A012
2-Octanone	8093	Click to see CCCCCCC(=O)C	128.21	unknown	https://doi.org/10.1021/JF60218A022
2-Undecanone	8163	Click to see CCCCCCCCCC(=O)C	170.29	unknown	https://doi.org/10.1021/JF60218A022
3-Pentanone	7288	Click to see CCC(=O)CC	86.13	unknown	https://doi.org/10.1021/JF60220A012
CID 179414	179414	Click to see CCC=CCC(=O)C	112.17	unknown	https://doi.org/10.1021/JF60218A022
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
Acetovanillone	2214	Click to see CC(=O)C1=CC(=C(C=C1)O)OC	166.17	unknown	https://doi.org/10.1248/CPB.55.153
> Organic oxygen compounds / Organooxygen compounds / Enols
1-Pentene-2-ol	173840	Click to see CCCC(=C)O	86.13	unknown	https://doi.org/10.1021/JF60220A012
> Organic oxygen compounds / Organooxygen compounds / Ethers / Diarylethers
Insularine	10348927	Click to see CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C7C(CC8=CC(=C(O4)C=C8)CO3)N(CCC7=CC(=C6OC)OC)C)OC	620.70	unknown	via CMAUP database
> Organoheterocyclic compounds / Azoles / Imidazoles
Allantoin	204	Click to see C1(C(=O)NC(=O)N1)NC(=O)N	158.12	unknown	via CMAUP database
> Organoheterocyclic compounds / Azolidines / Imidazolidines / Hydantoins / Allantoins
(S)-(+)-allantoin	439714	Click to see C1(C(=O)NC(=O)N1)NC(=O)N	158.12	unknown	via CMAUP database
Allantoin, (-)-	439713	Click to see C1(C(=O)NC(=O)N1)NC(=O)N	158.12	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzodiazepines / 1,4-benzodiazepines
Nordazepam	2997	Click to see C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3	270.71	unknown	https://doi.org/10.1016/0006-2952(89)90091-9
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / 2,2-dimethyl-1-benzopyrans
1-(4-Ethoxy-3-hydroxy-5,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone	15383039	Click to see CCOC1C(C(OC2=CC(=C(C(=C12)OC)C(=O)C)OC)(C)C)O	324.40	unknown	https://doi.org/10.1016/S0031-9422(00)97222-4
> Organoheterocyclic compounds / Benzoxazines / Benzoxazinones
(2R)-2-hydroxy-7-methoxy-4H-1,4-benzoxazin-3-one	92287040	Click to see COC1=CC2=C(C=C1)NC(=O)C(O2)O	195.17	unknown	https://doi.org/10.1016/0040-4039(94)88287-8
(2s)-2,4-Dihydroxy-7-Methoxy-2h-1,4-Benzoxazin-3(4h)-One	38988536	Click to see COC1=CC2=C(C=C1)N(C(=O)C(O2)O)O	211.17	unknown	https://doi.org/10.1016/S0031-9422(00)80832-8 https://doi.org/10.1016/0040-4039(94)88287-8 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10888583/
2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one	152213	Click to see COC1=CC2=C(C=C1)NC(=O)C(O2)O	195.17	unknown	https://doi.org/10.1016/0040-4039(94)88287-8
Dimboa	2358	Click to see COC1=CC2=C(C=C1)N(C(=O)C(O2)O)O	211.17	unknown	https://doi.org/10.1016/S0031-9422(00)80832-8 https://doi.org/10.1016/0040-4039(94)88287-8 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10888583/
> Organoheterocyclic compounds / Benzoxazoles
4-Chloro-6,7-dimethoxy-2-benzoxazolinone	67761025	Click to see COC1=CC(=C2C(=C1OC)OC(=O)N2)Cl	229.62	unknown	https://doi.org/10.1246/CL.1995.1053
> Organoheterocyclic compounds / Benzoxazoles / Benzoxazolones
2-Benzoxazolinone	6043	Click to see C1=CC=C2C(=C1)NC(=O)O2	135.12	unknown	https://doi.org/10.1246/CL.1995.1053
2-Hydroxy-6,7-dimethoxybenzoxazole	10987158	Click to see COC1=C(C2=C(C=C1)NC(=O)O2)OC	195.17	unknown	https://doi.org/10.1246/CL.1995.1053
4-acetylbenzo[d]oxazol-2(3H)-one	9989779	Click to see CC(=O)C1=C2C(=CC=C1)OC(=O)N2	177.16	unknown	https://doi.org/10.1016/S0040-4039(00)75827-8
Coixol	10772	Click to see COC1=CC2=C(C=C1)NC(=O)O2	165.15	unknown	https://doi.org/10.1080/10826079408013405 https://doi.org/10.1139/B91-090 https://doi.org/10.1248/CPB.55.153 https://doi.org/10.1016/S0031-9422(00)97506-X https://doi.org/10.1007/BF00980054
> Organoheterocyclic compounds / Diazanaphthalenes / Benzodiazines / Quinazolines / Indoloquinazolines
Indolo[2,1-b]quinazoline-6,12-dione	73549	Click to see C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=O)C3=N2	248.24	unknown	via CMAUP database
> Organoheterocyclic compounds / Diazines / Pyrimidines and pyrimidine derivatives / Pyrimidones
Uracil	1174	Click to see C1=CNC(=O)NC1=O	112.09	unknown	https://doi.org/10.1248/CPB.55.153
> Organoheterocyclic compounds / Epoxides
(+)-beta-Himachalene oxide	78409657	Click to see CC1=CC2C(CCCC3(C2(O3)CC1)C)(C)C	220.35	unknown	via CMAUP database
> Organoheterocyclic compounds / Heteroaromatic compounds
2-Pentylfuran	19602	Click to see CCCCCC1=CC=CO1	138.21	unknown	https://doi.org/10.1021/JF60218A022 https://doi.org/10.1021/JF60220A012 https://doi.org/10.1021/JF60230A020
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / 6-aminopurines / 6-alkylaminopurines
(2R,3R)-2-methyl-4-(7H-purin-6-ylamino)butane-1,2,3-triol	163190881	Click to see CC(CO)(C(CNC1=NC=NC2=C1NC=N2)O)O	253.26	unknown	https://doi.org/10.1016/0031-9422(73)80453-4
(E)-2-methyl-4-[(2-tritio-7H-purin-6-yl)amino]but-2-en-1-ol	10585075	Click to see CC(=CCNC1=NC=NC2=C1NC=N2)CO	221.25	unknown	via CMAUP database
2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol	15419	Click to see CC(=CCNC1=NC=NC2=C1NC=N2)CO	219.24	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2012.11.023
2-Methyl-4-[(7H-purin-6-yl)amino]butane-1,2,3-triol	53803908	Click to see CC(CO)(C(CNC1=NC=NC2=C1NC=N2)O)O	253.26	unknown	https://doi.org/10.1016/0031-9422(73)80453-4
6-[(4-Hydroxy-3-methylbut-2-enyl)amino]-3,7-dihydropurin-2-one	140656122	Click to see CC(=CCNC1=NC(=O)NC2=C1NC=N2)CO	235.24	unknown	https://doi.org/10.1016/0031-9422(73)80453-4
6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-3,7-dihydropurin-2-one	117628994	Click to see CC(=CCNC1=NC(=O)NC2=C1NC=N2)CO	235.24	unknown	https://doi.org/10.1016/0031-9422(73)80453-4
trans-Zeatin	449093	Click to see CC(=CCNC1=NC=NC2=C1NC=N2)CO	219.24	unknown	https://doi.org/10.1093/JXB/44.8.1411
> Organoheterocyclic compounds / Indoles and derivatives / Indoles
1-[2-(2,3,4,5,6-Pentahydroxycyclohexyl)oxyindol-1-yl]ethanone	162931695	Click to see CC(=O)N1C2=CC=CC=C2C=C1OC3C(C(C(C(C3O)O)O)O)O	337.32	unknown	https://doi.org/10.1016/S0031-9422(00)97222-4
Indole	798	Click to see C1=CC=C2C(=C1)C=CN2	117.15	unknown	https://doi.org/10.1039/CC9960001321
> Organoheterocyclic compounds / Indoles and derivatives / Indoles / 3-alkylindoles
(1-trimethylsilylindol-3-yl)methyl (2S,3R,4S,5R,6S)-4,5,6-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxane-3-carboxylate	162934021	Click to see C[Si](C)(C)N1C=C(C2=CC=CC=C21)COC(=O)C3C(OC(C(C3O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C	698.20	unknown	https://doi.org/10.1016/S0008-6215(00)80374-2
(1-trimethylsilylindol-3-yl)methyl 2-[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]acetate	163044653	Click to see C[Si](C)(C)N1C=C(C2=CC=CC=C21)COC(=O)CC3C(C(C(C(O3)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	698.20	unknown	https://doi.org/10.1016/S0008-6215(00)80374-2
(1-Trimethylsilylindol-3-yl)methyl 2-[3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]acetate	163044652	Click to see C[Si](C)(C)N1C=C(C2=CC=CC=C21)COC(=O)CC3C(C(C(C(O3)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	698.20	unknown	https://doi.org/10.1016/S0008-6215(00)80374-2
(1-Trimethylsilylindol-3-yl)methyl 4,5,6-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxane-3-carboxylate	162934020	Click to see C[Si](C)(C)N1C=C(C2=CC=CC=C21)COC(=O)C3C(OC(C(C3O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C	698.20	unknown	https://doi.org/10.1016/S0008-6215(00)80374-2
Indole-3-butyric acid	8617	Click to see C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O	203.24	unknown	https://doi.org/10.1007/BF00025391 https://doi.org/10.1016/0031-9422(95)00259-A
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives
(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid	3080590	Click to see C1=CC=C2C(=C1)C(C(=O)N2)CC(=O)O	191.18	unknown	https://doi.org/10.1093/JXB/37.11.1691
(2,3,4,5,6-pentahydroxycyclohexyl) 2-(1H-indol-2-yl)acetate	77226816	Click to see C1=CC=C2C(=C1)C=C(N2)CC(=O)OC3C(C(C(C(C3O)O)O)O)O	337.32	unknown	https://doi.org/10.1016/S0031-9422(00)97222-4
2-[(3S)-7-hydroxy-2-oxo-1,3-dihydroindol-3-yl]acetic acid	162850521	Click to see C1=CC2=C(C(=C1)O)NC(=O)C2CC(=O)O	207.18	unknown	https://doi.org/10.1016/S0031-9422(00)81790-2
2-Oxo-2H-indole-3-acetic acid	11788737	Click to see C1=CC2=C(C(=O)N=C2C=C1)CC(=O)O	189.17	unknown	https://doi.org/10.1093/JXB/37.11.1691
7-Hydroxy-2-oxindole-3-acetic acid	18398273	Click to see C1=CC2=C(C(=C1)O)NC(=O)C2CC(=O)O	207.18	unknown	https://doi.org/10.1016/S0031-9422(00)81790-2
Tryptophan	6305	Click to see C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N	204.22	unknown	https://doi.org/10.1016/0031-9422(94)00604-R
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives / Indole-3-acetic acid derivatives
[(2S,3R,4R,5R,6R)-2,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl] 2-(1-trimethylsilylindol-3-yl)acetate	162879169	Click to see C[Si](C)(C)N1C=C(C2=CC=CC=C21)CC(=O)OC3C(C(C(OC3O[Si](C)(C)C)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	698.20	unknown	https://doi.org/10.1016/S0008-6215(00)80374-2
[2,4,5-Tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl] 2-(1-trimethylsilylindol-3-yl)acetate	162879168	Click to see C[Si](C)(C)N1C=C(C2=CC=CC=C21)CC(=O)OC3C(C(C(OC3O[Si](C)(C)C)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	698.20	unknown	https://doi.org/10.1016/S0008-6215(00)80374-2
Indole-3-acetic acid	802	Click to see C1=CC=C2C(=C1)C(=CN2)CC(=O)O	175.18	unknown	https://doi.org/10.1016/S0031-9422(00)91302-5 https://doi.org/10.1016/0031-9422(81)85209-0 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC158922/ https://doi.org/10.1080/00021369.1989.10869701 https://doi.org/10.1016/S0031-9422(00)90636-8 https://doi.org/10.1007/BF00391033
> Organoheterocyclic compounds / Indoles and derivatives / Tryptamines and derivatives
Tryptamine	1150	Click to see C1=CC=C2C(=C1)C(=CN2)CCN	160.22	unknown	via CMAUP database
> Organoheterocyclic compounds / Lactones / Delta valerolactones
(1R,2R,4R,7R,8S,9S,10S)-4-hydroxy-10-methyl-5-methylidene-11-oxo-12-oxapentacyclo[8.3.3.24,7.01,9.02,7]octadecane-8-carboxylic acid	162848967	Click to see CC12CCCC3(C1C(C45C3CC(CC4)(C(=C)C5)O)C(=O)O)COC2=O	346.40	unknown	https://doi.org/10.1016/S0031-9422(00)95273-7
4-Hydroxy-10-methyl-5-methylidene-11-oxo-12-oxapentacyclo[8.3.3.24,7.01,9.02,7]octadecane-8-carboxylic acid	162848966	Click to see CC12CCCC3(C1C(C45C3CC(CC4)(C(=C)C5)O)C(=O)O)COC2=O	346.40	unknown	https://doi.org/10.1016/S0031-9422(00)95273-7
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
(S)-4-Nonanolide	441574	Click to see CCCCCC1CCC(=O)O1	156.22	unknown	https://doi.org/10.1021/JF60220A012
Gamma-nonalactone	7710	Click to see CCCCCC1CCC(=O)O1	156.22	unknown	https://doi.org/10.1021/JF60220A012
> Organoheterocyclic compounds / Naphthopyrans
[(1R,4R,5R,7S,9R,10R,12R)-5-acetyloxy-12-(furan-2-yl)-4,10-dimethyl-8,14-dioxo-13-oxatetracyclo[10.2.1.01,10.04,9]pentadecan-7-yl] acetate	163032457	Click to see CC(=O)OC1CC(C2(CCC34CC(CC3(C2C1=O)C)(OC4=O)C5=CC=CO5)C)OC(=O)C	444.50	unknown	https://doi.org/10.1002/CHIN.200648187
[5-Acetyloxy-12-(furan-2-yl)-4,10-dimethyl-8,14-dioxo-13-oxatetracyclo[10.2.1.01,10.04,9]pentadecan-7-yl] acetate	163032456	Click to see CC(=O)OC1CC(C2(CCC34CC(CC3(C2C1=O)C)(OC4=O)C5=CC=CO5)C)OC(=O)C	444.50	unknown	https://doi.org/10.1002/CHIN.200648187
> Organoheterocyclic compounds / Pteridines and derivatives / Alloxazines and isoalloxazines / Flavins
Lumichrome	5326566	Click to see CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3	242.23	unknown	https://doi.org/10.1248/CPB.55.153
> Organoheterocyclic compounds / Pyrans / Pyranones and derivatives
Chelidonic acid	7431	Click to see C1=C(OC(=CC1=O)C(=O)O)C(=O)O	184.10	unknown	https://doi.org/10.1071/BI9650437
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridoxines
Pyridoxine	1054	Click to see CC1=NC=C(C(=C1O)CO)CO	169.18	unknown	via CMAUP database
> Organoheterocyclic compounds / Quinolines and derivatives / Quinoline carboxylic acids
2,8-Dihydroxy-4-quinolinecarboxylic acid	13988328	Click to see C1=CC2=C(C(=C1)O)NC(=O)C=C2C(=O)O	205.17	unknown	https://doi.org/10.1080/00021369.1989.10869701
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
Antileishmanial agent-7	6079067	Click to see COC1=CC(=CC2=C1OC(C2C(=O)O)C3=CC(=C(C=C3)O)OC)C=CC(=O)O	386.40	unknown	https://doi.org/10.1021/JF020957G
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acid esters
Ethyl 3-phenylprop-2-enoate	7649	Click to see CCOC(=O)C=CC1=CC=CC=C1	176.21	unknown	https://doi.org/10.1021/JF60220A012
Ethyl cinnamate	637758	Click to see CCOC(=O)C=CC1=CC=CC=C1	176.21	unknown	https://doi.org/10.1021/JF60220A012
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives
3-(4-Hydroxy-3-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-propenamide	20981091	Click to see COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CNC3=CC=CC=C32)O	336.40	unknown	https://doi.org/10.1016/0031-9422(74)85129-0
Feruloylputrescine	5281796	Click to see COC1=C(C=CC(=C1)C=CC(=O)NCCCCN)O	264.32	unknown	via CMAUP database
Nb-Feruloyltryptamine	641764	Click to see COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CNC3=CC=CC=C32)O	336.40	unknown	https://doi.org/10.1016/0031-9422(74)85129-0
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
3-(4-Hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-propenamide	66803733	Click to see C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C=CC3=CC=C(C=C3)O	306.40	unknown	https://doi.org/10.1016/0031-9422(74)85129-0
Nb-p-Coumaroyltryptamine	5458878	Click to see C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C=CC3=CC=C(C=C3)O	306.40	unknown	https://doi.org/10.1016/0031-9422(74)85129-0
> 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/10.1021/JF0205099 https://doi.org/10.1021/JF020957G https://doi.org/10.1016/S0031-9422(00)81727-6
4-Hydroxycinnamic acid	322	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	https://doi.org/10.1021/JF020957G
Caffeic Acid	689043	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	https://doi.org/10.1021/JF020957G
CID 160594	160594	Click to see COC1=CC(=CC(=C1O)O)C=CC(=O)O	210.18	unknown	https://doi.org/10.1016/S0031-9422(00)81727-6
Ferulic acid	445858	Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O	194.18	unknown	https://doi.org/10.1021/JF020957G https://doi.org/10.1021/JF00110A030 https://doi.org/10.1016/S0031-9422(03)00297-8 https://doi.org/10.1094/PHYTO-83-949
p-Coumaric acid	637542	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	https://doi.org/10.1021/JF020957G https://doi.org/10.1016/S0031-9422(00)81727-6 https://doi.org/10.1021/JF00110A030 https://doi.org/10.1016/S0031-9422(03)00297-8
Sinapic acid	10743	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O	224.21	unknown	https://doi.org/10.1021/JF00110A030
Sinapinic acid	637775	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O	224.21	unknown	https://doi.org/10.1016/S0031-9422(00)81727-6
> Phenylpropanoids and polyketides / Cinnamyl alcohols
Acoramol	70682800	Click to see COC1=CC(=C(C=C1C=CCO)OC)OC	224.25	unknown	https://doi.org/10.1016/0031-9422(79)80136-3 https://doi.org/10.1016/0031-9422(84)83081-2 https://doi.org/10.1016/0031-9422(81)80037-4
> Phenylpropanoids and polyketides / Coumarins and derivatives
Suberenone	5321539	Click to see CC(=O)C=CC1=C(C=C2C(=C1)C=CC(=O)O2)OC	244.24	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Aflatoxins / Difurocoumarolactones
Aflatoxin G1	14421	Click to see COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1	328.27	unknown	https://doi.org/10.1021/JF60200A014
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 8-hydroxypsoralens
Alloimperatorin	69502	Click to see CC(=CCC1=C2C=CC(=O)OC2=C(C3=C1C=CO3)O)C	270.28	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 8-methoxypsoralens
Methoxsalen	4114	Click to see COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2	216.19	unknown	https://doi.org/10.1007/BF00391272
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones / Flavanonols
7-Prenyloxyaromadendrin	23900109	Click to see CC(=CCOC1=CC(=C2C(=C1)OC(C(C2=O)O)C3=CC=C(C=C3)O)O)C	356.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Isorhamnetin	5281654	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O	316.26	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-3-O-glycosides
(2S,3R,4R,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	162265793	Click to see COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O	463.40	unknown	https://doi.org/10.1021/JF001399D
(2S,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	44256715	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	https://doi.org/10.1007/S11745-998-0243-5
Cyanidin 3-(3'',6''-dimalonylglucoside)	23724697	Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)OC(=O)CC(=O)O)O)O)O)O)O	621.50	unknown	https://doi.org/10.1021/JF001399D
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2R,3S,4S,6S)-4-hydroxy-6-methyl-5-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]chromen-4-one	162924130	Click to see CC1C(C(C(C(O1)OC2C(C(=O)C(OC2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)C)O)O)O)O	576.50	unknown	https://doi.org/10.1021/JF00058A036
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2R,4R)-4-hydroxy-6-methyl-5-oxo-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]chromen-4-one	44257949	Click to see CC1C(C(C(C(O1)OC2C(C(=O)C(OC2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)C)O)O)O)O	576.50	unknown	via CMAUP database
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-[4-hydroxy-6-methyl-5-oxo-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]chromen-4-one	194340	Click to see CC1C(C(C(C(O1)OC2C(C(=O)C(OC2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)C)O)O)O)O	576.50	unknown	https://doi.org/10.1021/JF00019A027 https://doi.org/10.1021/JF00058A036
2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-luteolin	44257957	Click to see CC1C(C(C(C(O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)OC5C(C(C(C(O5)C)O)O)O)O)O	578.50	unknown	https://doi.org/10.1021/JF00058A036
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)chromen-4-one	85122694	Click to see CC1C(C(C(C(O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)OC)O)O)O)O	446.40	unknown	https://doi.org/10.1248/CPB.51.1186
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one	10366269	Click to see CC1C(C(C(C(O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)OC)O)O)O)O	446.40	unknown	https://doi.org/10.1248/CPB.51.1186
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2R,3S,4S,6S)-4-hydroxy-6-methyl-5-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]chromen-4-one	101427463	Click to see CC1C(C(C(C(O1)OC2C(C(=O)C(OC2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC(=C(C=C5)O)OC)O)C)O)O)O)O	590.50	unknown	https://doi.org/10.1021/JF00058A036
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2S,3R,4R,6S)-4-hydroxy-6-methyl-5-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]chromen-4-one	101920255	Click to see CC1C(C(C(C(O1)OC2C(C(=O)C(OC2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC(=C(C=C5)O)OC)O)C)O)O)O)O	590.50	unknown	https://doi.org/10.1021/JF00058A036
6-(4,5-Dihydroxy-6-methyloxan-2-yl)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one	14445196	Click to see CC1C(C(CC(O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)OC)O)O)O)O	430.40	unknown	https://doi.org/10.1021/NP020256D
6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one	10650853	Click to see CC1C(C(C(C(O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)OC5C(C(C(C(O5)C)O)O)O)O)O	578.50	unknown	https://doi.org/10.1021/JF00058A036
6-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one	10793311	Click to see CC1C(C(C(C(O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)OC5C(C(C(C(O5)C)O)O)O)O)O	578.50	unknown	https://doi.org/10.1021/JF00058A036
6-[(2R,4R,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one	44566792	Click to see CC1C(C(CC(O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)OC)O)O)O)O	430.40	unknown	https://doi.org/10.1021/NP020256D
6-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one	162990185	Click to see CC1C(C(C(C(O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)OC5C(C(C(C(O5)C)O)O)O)O)O	578.50	unknown	https://doi.org/10.1021/JF00058A036
6-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one	162845901	Click to see CC1C(C(C(C(O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)OC)O)OC5C(C(C(C(O5)C)O)O)O)O)O	592.50	unknown	https://doi.org/10.1021/JF00058A036
6-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one	162990186	Click to see CC1C(C(C(C(O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)OC5C(C(C(C(O5)C)O)O)O)O)O	578.50	unknown	https://doi.org/10.1021/JF00058A036
6-[6-Deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-galactopyranosyl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	10603540	Click to see CC1C(C(C(C(O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)OC)O)OC5C(C(C(C(O5)C)O)O)O)O)O	592.50	unknown	https://doi.org/10.1248/CPB.51.1186 https://doi.org/10.1021/JF00058A036
ax-4''-Hydroxy-3-'-methoxymaysin	74977694	Click to see CC1C(C(C(C(O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)OC)O)OC5C(C(C(C(O5)C)O)O)O)O)O	592.50	unknown	https://doi.org/10.1248/CPB.51.1186 https://doi.org/10.1021/JF00058A036
Chrysoeriol 6-C-beta-L-boivinopyranoside	21629594	Click to see CC1C(C(CC(O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)OC)O)O)O)O	430.40	unknown	via CMAUP database
eq-4''-Hydroxymaysin	131750983	Click to see CC1C(C(C(C(O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)OC5C(C(C(C(O5)C)O)O)O)O)O	578.50	unknown	https://doi.org/10.1021/JF00058A036
Maysin	70698181	Click to see CC1C(C(C(C(O1)OC2C(C(=O)C(OC2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)C)O)O)O)O	576.50	unknown	https://doi.org/10.1021/JF00019A027 https://doi.org/10.1021/JF00058A036
Maysin 3'-methyl ether	74977693	Click to see CC1C(C(C(C(O1)OC2C(C(=O)C(OC2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC(=C(C=C5)O)OC)O)C)O)O)O)O	590.50	unknown	https://doi.org/10.1021/JF00058A036
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	51402807	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	https://doi.org/10.1016/S0031-9422(00)83510-4
2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-yl]Oxy-Chromen-4-one	12304323	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	https://doi.org/10.1016/S0031-9422(00)83510-4
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	5378597	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	https://doi.org/10.1016/S0031-9422(00)83510-4
5,7-dihydroxy-2-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	154496790	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O	640.50	unknown	https://doi.org/10.1016/S0031-9422(00)83510-4
5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	91264059	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)OC5C(C(C(C(O5)CO)O)O)O)O	626.50	unknown	https://doi.org/10.1016/S0031-9422(00)83510-4
5,7-Dihydroxy-2-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	74978162	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)OC5C(C(C(C(O5)CO)O)O)O)O	626.50	unknown	https://doi.org/10.1016/S0031-9422(00)83510-4
Astragalin	5282102	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O	448.40	unknown	https://doi.org/10.1016/S0031-9422(00)83510-4
Calendoflavobioside	14034827	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O	610.50	unknown	https://doi.org/10.1016/S0031-9422(00)83510-4
Dactylin	5901757	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O	640.50	unknown	https://doi.org/10.1016/S0031-9422(00)83510-4
Isorhamnetin 3-neohesperidoside	13915237	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)CO)O)O)O)O)O	624.50	unknown	https://doi.org/10.1016/S0031-9422(00)83510-4 https://doi.org/10.1007/S10886-006-9250-5
Isorhamnetin 3,4'-diglucoside	11802256	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O	640.50	unknown	https://doi.org/10.1016/S0031-9422(00)83510-4
Isorhamnetin-3-O-neohespeidoside	11664505	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)CO)O)O)O)O)O	624.50	unknown	https://doi.org/10.1016/S0031-9422(00)83510-4 https://doi.org/10.1007/S10886-006-9250-5
Quercetin 3-neohesperidoside	5491657	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O	610.50	unknown	https://doi.org/10.1016/S0031-9422(00)83510-4
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
6-(4,5-Dihydroxy-6-methyloxan-2-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	73814453	Click to see CC1C(C(CC(O1)C2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC(=C(C=C4)OC)O)OC5C(C(C(C(O5)CO)O)O)O)O)O	592.50	unknown	https://doi.org/10.1021/NP020256D
6-[(2R,4R,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	11039229	Click to see CC1C(C(CC(O1)C2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC(=C(C=C4)OC)O)OC5C(C(C(C(O5)CO)O)O)O)O)O	592.50	unknown	https://doi.org/10.1021/NP020256D
acs.jmedchem.1c00409_ST.719	13345442	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O	626.50	unknown	https://doi.org/10.1016/S0031-9422(00)83510-4
Quercetin 3,7-diglucoside	10121947	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O	626.50	unknown	https://doi.org/10.1016/S0031-9422(00)83510-4
> 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	https://doi.org/10.1248/CPB.55.153
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones
Genistein	5280961	Click to see C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O	270.24	unknown	https://doi.org/10.1248/CPB.55.153
> Phenylpropanoids and polyketides / Stilbenes
5-8'-Dehydrodiferulic acid	157009739	Click to see COC1=CC(=CC(=C1O)C(=CC2=CC(=C(C=C2)O)OC)C(=O)O)C=CC(=O)O	386.40	unknown	https://doi.org/10.1021/JF020957G

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Zea mays

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