Scientific name	Authority	First published in
Nicotiana alba	Mill.	Gard. Dict., ed. 8. n. 5. 1768 [16 Apr 1768]
Nicotiana angustifolia	Mill.	Gard. Dict., ed. 8. n. 3. 1768
Nicotiana attenuata	Steud.	Nomencl. Bot. [Steudel] 554. 1821
Nicotiana auriculata	Agardh ex Fisch., C.A.Mey. & Avé-Lall.	Index Seminum [St. Petersburg] 4: 60. 1838 [1837]
Nicotiana auriculata	Bertol. ex Moris	Stirp. Sard. Elench. App. 7. 1829
Nicotiana capensis	hort. ex Vill.	Fl. Pleine Terre 856. 1863
Nicotiana chinensis	Fisch. ex Lehm.	Gen. Nicot. Hist. 18. 1818
Nicotiana fruticosa	L.	Syst. Nat., ed. 10. 2: 932. 1759 [7 Jun 1759]
Nicotiana fruticosa	Moc. & Sessé ex Dunal	Prodr. [A. P. de Candolle] 13(1): 559. 1852 [10 May 1852]
Nicotiana fruticosa	Lour.	Fl. Cochinch. 1: 111. 1790.
Nicotiana guatemalensis	hort. ex Vilm.	Fl. Pleine Terre 856. 1863
Nicotiana havanensis	Hort. Matrit. ex Lehm.	Gen. Nicot. Hist. 21. 1818
Nicotiana lancifolia	Willd. ex Lehm.	Gen. Nicot. Hist. 26. 1818.
Nicotiana lingua	Steud.	Nomencl. Bot. [Steudel] 554. 1821
Nicotiana loxensis	Kunth	Nov. Gen. Sp. (quarto ed.) 3: 3. 1818
Nicotiana marylandica	Schübl.	Prodr. [A. P. de Candolle] 13(1): 572. 1852 [10 May 1852]
Nicotiana mexicana var. rubriflora	Dunal	Prodr. [A. P. de Candolle] 13(1): 565. 1852 [10 May 1852]
Nicotiana petiolata	Agardh	Nagra ord om Tobaks 17. 1819
Nicotiana pilosa	Dunal	Prodr. [A. P. de Candolle] 13(1): 559. 1852 [10 May 1852]
Nicotiana tabacum var. angustifolia	Aiton	Hortus Kew. (W. Aiton) 1: 242. 1789
Nicotiana tabacum var. brasiliensis	Comes	Atti Real Ist. Incoragg. Sci. Nat. Napoli (ser. 5) 1(1): 13. 1899
Nicotiana tabacum var. goyanum	Glaz.	Bull. Soc. Bot. France 58(Mém. 3f): 504. 1911
Nicotiana tabacum var. lancifolia	(Willd. ex Lehm.) Comes	Atti Real Ist. Incoragg. Sci. Nat. Napoli (ser. 5) 1(1): 10. 1899
Nicotiana tabacum var. latissima	(Mill.) Voss	Vilm. Ill. Blumengärtn., ed. 3. 1: 730. 1894
Nicotiana tabacum var. loxensis	Kuntze	Revis. Gen. Pl. 2: 452. 1891
Nicotiana tabacum var. virginica	(J.Agardh) Comes	Atti Real Ist. Incoragg. Sci. Nat. Napoli (ser. 5) 1(1): 12. 1899
Nicotiana turcica	hort. ex Dunal	Prodr. [A. P. de Candolle] 13(1): 564. 1852 [10 May 1852]
Nicotiana virginica	Agardh	Nagra ord om Tobaks 18. 1819
Nicotiana ybarrensis	Kunth	Nov. Gen. Sp. (quarto ed.) 3: 4. 1818
Tabacum latissimum	Bercht. & Opiz	Oekon.-techn. Fl. Böhm. (Bercht. & Opiz) 3(1): 309. 1841
Tabacum nicotianum	Bercht. & Opiz	Oekon.-techn. Fl. Böhm. (Bercht. & Opiz) 3(1): 307. 1841
Tabacum ovatofolium	Gilib.	Fl. Lit. Inch. i. 39. 1782
Tabacus viscidus	Moench	Methodus (Moench) 448 (1794). [4 May 1794]
Nicotiana tabacum f. fruticosa	(L.) Voss	Vilm. Ill. Blumengärtn., ed. 3. 1: 730. 1894
Nicotiana tabacum var. attenuata	Schrank	Bot. Zeitung (Regensburg) 6(no. 17): 260. 1807
Nicotiana tabacum var. macrophylla	Schrank	Bot. Zeitung (Regensburg) 6(no. 17): 260. 1807
Nicotiana tabacum var. pallescens	Schrank	Bot. Zeitung (Regensburg) 6(no. 17): 261. 1807
Nicotiana tabacum var. alipes	Schrank	Bot. Zeitung (Regensburg) 6(no. 17): 261. 1807
Nicotiana tabacum var. serotina	Schrank	Bot. Zeitung (Regensburg) 6(no. 17): 261 1807
Nicotiana tabacum var. gracilipes	Schrank	Bot. Zeitung (Regensburg) 6(no. 17): 262. 1807
Nicotiana tabacum var. verdon	Schrank	Bot. Zeitung (Regensburg) 6(no. 17): 262. 1807
Nicotiana tabacum var. lingua	Schrank	Bot. Zeitung (Regensburg) 6(no. 17): 262. 1807
Nicotiana tabacum var. asiatica	Schrank
Nicotiana tabacum var. brasila	Schrank
Nicotiana tabacum var. humilis	Schrank
Nicotiana tabacum var. pumila	Schrank
Nicotiana tabaccum	Vell.

Common names Top

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Filter by language:

Language	Common/alternative name
English	cultivated tobacco
English	tobacco
Arabic	تبغ ذائع
Azerbaijani	tütün
Azerbaijani	Əsl tütün
Belarusian	табака
Belarusian	табак віргінскі
Belarusian	тутун
Belarusian	тытунь віргінскі
Bengali	তামাক
Catalan	tabaquera
Czech	tabák virginský
Welsh	baco
German	virginischer tabak
Greek	Νικοτιανή ο ταμπάκος
Estonian	vääristubakas
Basque	tabako
Persian	گل توتون
Finnish	virginiantupakka
French	tabac cultivé
French	tabac commun
French	herbe à nicot
French	grand tabac
frr	virginia-tabak
Galician	tabaco
gn	petỹ
Swiss German	virginische tabak
Gujarati	તમાકુ
Hebrew	טבק
Croatian	virginijski duhan
ht	tabak
Japanese	タバコ
jv	tembako
Korean	담배
ku	titûn
Lithuanian	paprastasis tabakas
Latvian	Īstā tabaka
Malagasy	paraky (zavamaniry)
Malayalam	പുകയില
Malay	tembakau
nah	piciyetl
Norwegian Bokmål	tobakksplante
Dutch	gewone tabaksplant
Dutch	tabak
nv	nátʼoh (chʼil)
Polish	tytoń szlachetny
Punjab	نکوٹیانا ٹباکم
Pashto	نکوټي يانا ټیبېکم
pwn	tjamaku
Quechua	sayri
Russian	Табак обыкновенный
Kinyarwanda	igikamba (itabi)
Swedish	virginiatobak
Telugu	పొగాకు
Thai	ยาสูบ
Tonga	tapaka
Ukrainian	Тютюн звичайний
Vietnamese	cây thuốc lá
Walloon	toubak
Chinese	煙草
Chinese	烟叶
Chinese	烟草
Chinese	菸草
Chinese	红花烟草
Chinese	人工烟草
Chinese	人工菸草

Subspecies (abbr. subsp./ssp.) Top

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Varieties (abbr. var.) Top

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Subvarieties (abbr. subvar.) Top

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Forms (abbr. f.) Top

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Germination/Propagation Top

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No germination or propagation data was added yet.

Distribution (via POWO/KEW) Top

Legend for the distribution data:

- Doubtful data

- Extinct

- Introduced

- Native

Africa click to expand
- East Tropical Africa
  - Kenya
  - Tanzania
- Macaronesia
  - Azores
  - Canary Islands
  - Cape Verde
  - Madeira
  - Selvagens
- Middle Atlantic Ocean
  - Ascension
  - Saint Helena
- Northeast Tropical Africa
  - Chad
  - Eritrea
  - Ethiopia
  - Socotra
  - Somalia
- Northern Africa
  - Algeria
  - Libya
  - Morocco
  - Tunisia
- South Tropical Africa
  - Malawi
  - Mozambique
  - Zambia
  - Zimbabwe
- Southern Africa
  - Cape Provinces
  - Kwazulu-Natal
  - Northern Provinces
- West Tropical Africa
  - Benin
  - Burkina
  - Gambia
  - Ghana
  - Guinea
  - Guinea-Bissau
  - Ivory Coast
  - Mali
  - Niger
  - Nigeria
  - Senegal
  - Sierra Leone
  - Togo
- West-central Tropical Africa
  - Burundi
  - Cameroon
  - Central African Republic
  - Congo
  - Equatorial Guinea
  - Gabon
  - Gulf Of Guinea Islands
  - Rwanda
  - Zaïre
- Western Indian Ocean
  - Aldabra
  - Comoros
  - Madagascar
  - Mauritius
  - Rodrigues
  - Réunion
  - Seychelles

Asia-temperate click to expand
- Arabian Peninsula
  - Oman
  - Saudi Arabia
  - Yemen
- Eastern Asia
  - Kazan-retto
  - Korea
  - Ogasawara-Shoto
- Middle Asia
  - Kazakhstan
  - Tadzhikistan
  - Turkmenistan
  - Uzbekistan
- Russian Far East
  - Primorye
- Western Asia
  - Cyprus
  - Turkey

Asia-tropical click to expand
- Indian Subcontinent
  - Assam
  - Bangladesh
  - East Himalaya
  - India
  - Maldives
  - Nepal
  - Pakistan
  - West Himalaya
- Indo-China
  - Cambodia
  - Laos
  - Myanmar
  - Nicobar Nicobar
  - Thailand
  - Vietnam
- Malesia
  - Borneo
  - Christmas Island
  - Jawa
  - Philippines
- Papuasia
  - Bismarck Archipelago
  - New Guinea
  - Solomon Islands

Australasia click to expand
- Australia
  - Norfolk Island
- New Zealand
  - New Zealand North

Europe click to expand
- Eastern Europe
  - Central European Russia
  - Krym
  - South European Russia
  - Ukraine
- Middle Europe
  - Austria
  - Belgium
  - Czechoslovakia
  - Germany
  - Hungary
  - Netherlands
  - Switzerland
- Northern Europe
  - Denmark
- Southeastern Europe
  - Albania
  - Bulgaria
  - Greece
  - Italy
  - Kriti
  - Romania
  - Turkey-in-Europe
  - Yugoslavia
- Southwestern Europe
  - Corse
  - France
  - Portugal
  - Spain

Northern America click to expand
- Mexico
  - Mexico Central
  - Mexico Southwest
- Northeastern U.S.A.
  - New York
- Southeastern U.S.A.
  - Kentucky
  - Maryland

Pacific click to expand
- North-central Pacific
  - Hawaii
- Northwestern Pacific
  - Caroline Islands
  - Marcus Island
  - Marianas
  - Marshall Islands
  - Wake Island
- South-central Pacific
  - Cook Islands
  - Easter Island
  - Line Islands
  - Marquesas
  - Pitcairn Islands
  - Society Islands
- Southwestern Pacific
  - Fiji
  - Gilbert Islands
  - 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
  - Bermuda
  - Cayman Islands
  - Cuba
  - Dominican Republic
  - Haiti
  - Jamaica
  - Leeward Islands
  - Netherlands Antilles
  - Puerto Rico
  - Southwest Caribbean
  - Trinidad-Tobago
  - Windward Islands
- Central America
  - Belize
  - Costa Rica
  - Guatemala
  - Honduras
- Northern South America
  - Venezuela
- Southern South America
  - Argentina Northwest
  - Juan Fernández Islands
  - Paraguay
- Western South America
  - Bolivia
  - Colombia
  - Galápagos
  - Peru

Links to other databases Top

Suggest others/fix!

Database	ID/link to page
World Flora Online	wfo-0001023987
UNII	6DI1HBV20R
Florida Plant Atlas	1758
Canadensys	9361
USDA Plants	NITA
Tropicos	29603382
INPN	109614
Flora of Italy	4734
KEW	urn:lsid:ipni.org:names:817077-1
The Plant List	kew-2382275
PFAF	Nicotiana tabacum
Open Tree Of Life	222787
Observations.org	7093
NCBI Taxonomy	4097
NBN Atlas	NBNSYS0000014298
Nature Serve	2.133881
IPNI	817077-1
iNaturalist	165709
GBIF	2928774
Freebase	/m/02p8jgq
EPPO	NIOTA
EOL	581050
Elurikkus	5881
Calflora (Californian flora)	8749
USDA GRIN	25309
Wikipedia	Nicotiana_tabacum
CMAUP	NPO17694

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_000715135.1	Ntab-TN90	Scaffold	Philip Morris International R&D	2014-05-29	49.0x	3.39 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

Sequence characteristics, genetic diversity and phylogenetic analysis of the Cucurbita ficifolia (Cucurbitaceae) chloroplasts genome

He S, Xu B, Chen S, Li G, Zhang J, Xu J, Wu H, Li X, Yang Z

BMC Genomics

18-Apr-2024

PMCID:	PMC11027378
doi:	10.1186/s12864-024-10278-2
PMID:	38637729

Transcriptome analysis reveals the mechanism of NaHCO3 promoting tobacco leaf maturation

Wang T, Zhao Y, Wang D, Shi H

Open Life Sci

15-Apr-2024

PMCID:	PMC11022121
doi:	10.1515/biol-2022-0849
PMID:	38633412

Down‐regulation of wheat Rubisco activase isoforms expression by virus‐induced gene silencing

Perdomo JA, Scales JC, Lee W, Kanyuka K, Carmo‐Silva E

Plant Direct

15-Apr-2024

PMCID:	PMC11018489
doi:	10.1002/pld3.583
PMID:	38628621

Research progress on the pharmacological activity, biosynthetic pathways, and biosynthesis of crocins

Hua Z, Liu N, Yan X

Beilstein J Org Chem

09-Apr-2024

PMCID:	PMC11022409
doi:	10.3762/bjoc.20.68
PMID:	38633914

Comparative transcriptional analysis of Persea americana MYB, WRKY and AP2/ERF transcription factors following Phytophthora cinnamomi infection

Fick A, Swart V, Bombarely A, van den Berg N

Mol Plant Pathol

08-Apr-2024

PMCID:	PMC11002358
doi:	10.1111/mpp.13453
PMID:	38590150

Cross-kingdom RNA interference mediated by insect salivary microRNAs may suppress plant immunity

Zhang ZL, Wang XJ, Lu JB, Lu HB, Ye ZX, Xu ZT, Zhang C, Chen JP, Li JM, Zhang CX, Huang HJ

Proc Natl Acad Sci U S A

08-Apr-2024

PMCID:	PMC11032475
doi:	10.1073/pnas.2318783121
PMID:	38588412

Roles of herbivorous insects salivary proteins

Ma X, Yin Z, Li H, Guo J

Heliyon

03-Apr-2024

PMCID:	PMC11004886
doi:	10.1016/j.heliyon.2024.e29201
PMID:	38601688

Autonomous differentiation of transgenic cells requiring no external hormone application: the endogenous gene expression and phytohormone behaviors

Sato Y, Minamikawa MF, Pratama BB, Koyama S, Kojima M, Takebayashi Y, Sakakibara H, Igawa T

Front Plant Sci

03-Apr-2024

PMCID:	PMC11021773
doi:	10.3389/fpls.2024.1308417
PMID:	38633452

SmEIL1 transcription factor inhibits tanshinone accumulation in response to ethylene signaling in Salvia miltiorrhiza

Li X, Xu M, Zhou K, Hao S, Li L, Wang L, Zhou W, Kai G

Front Plant Sci

02-Apr-2024

PMCID:	PMC11018959
doi:	10.3389/fpls.2024.1356922
PMID:	38628367

From genes to ecosystems: Decoding plant tolerance mechanisms to arsenic stress

Gracia-Rodriguez C, Lopez-Ortiz C, Flores-Iga G, Ibarra-Muñoz L, Nimmakayala P, Reddy UK, Balagurusamy N

Heliyon

02-Apr-2024

PMCID:	PMC11004893
doi:	10.1016/j.heliyon.2024.e29140
PMID:	38601600

Assembly and comparative analysis of the initial complete mitochondrial genome of Primulina hunanensis (Gesneriaceae): a cave-dwelling endangered plant

Chen L, Dong X, Huang H, Xu H, Rono PC, Cai X, Hu G

BMC Genomics

01-Apr-2024

PMCID:	PMC10983754
doi:	10.1186/s12864-024-10247-9
PMID:	38561677

Integrated transcriptomic and WGCNA analyses reveal candidate genes regulating mainly flavonoid biosynthesis in Litsea coreana var. sinensis

Xie N, Guo Q, Li H, Yuan G, Gui Q, Xiao Y, Liao M, Yang L

BMC Plant Biol

01-Apr-2024

PMCID:	PMC10985888
doi:	10.1186/s12870-024-04949-1
PMID:	38561656

Identification and characterization of the critical genes encoding Cd-induced enhancement of SOD isozymes activities in Zhe-Maidong (Ophiopogon japonicus)

Hou R, Wang Z, Zhu Q, Wang J, Zhou Y, Li Y, Liu H, Zhao Q, Huang J

Front Plant Sci

28-Mar-2024

PMCID:	PMC11007131
doi:	10.3389/fpls.2024.1355849
PMID:	38606075

Transcriptome disclosure of hormones inducing stigma exsertion in Nicotiana tabacum by corolla shortening

Zhang X, Li J, Xing X, Li H, Zhang S, Chang J, Wei F, Zhang Y, Huang J, Zhang X, Wang Z

BMC Genomics

28-Mar-2024

PMCID:	PMC10976690
doi:	10.1186/s12864-024-10195-4
PMID:	38549066

Mechanism of action of microRNA166 on nitric oxide in alfalfa (Medicago sativa L.) under drought stress

Wei B, Wang Y, Ruan Q, Zhu X, Wang X, Wang T, Zhao Y, Wei X

BMC Genomics

28-Mar-2024

PMCID:	PMC10976769
doi:	10.1186/s12864-024-10095-7
PMID:	38549050

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
> Alkaloids and derivatives
(2R)-2-pyridin-3-ylpiperidine-1-carbaldehyde	97298840	Click to see C1CCN(C(C1)C2=CN=CC=C2)C=O	190.24	unknown	https://doi.org/10.1271/BBB1961.43.1607
(R)-3-(Piperidin-2-YL)pyridine	641266	Click to see C1CCNC(C1)C2=CN=CC=C2	162.23	unknown	via CMAUP database
2-(Pyridin-3-yl)piperidine-1-carbaldehyde	55250656	Click to see C1CCN(C(C1)C2=CN=CC=C2)C=O	190.24	unknown	https://doi.org/10.1271/BBB1961.43.1607
2-Butenoic acid, 2-methyl-, 2,3,5,7a-tetrahydro-7-(hydroxymethyl)-1H-pyrrolizin-1-yl ester, [1S-[1alpha(Z),7aalpha]]-	6432671	Click to see CC=C(C)C(=O)OC1CCN2C1C(=CC2)CO	237.29	unknown	via CMAUP database
3-[(2R,4R)-2-pyridin-3-ylpiperidin-4-yl]pyridine	40490605	Click to see C1CNC(CC1C2=CN=CC=C2)C3=CN=CC=C3	239.32	unknown	https://doi.org/10.1055/S-2004-832620
3-[(2R,4S)-2-pyridin-3-ylpiperidin-4-yl]pyridine	10999107	Click to see C1CNC(CC1C2=CN=CC=C2)C3=CN=CC=C3	239.32	unknown	https://doi.org/10.1055/S-2004-832620 https://doi.org/10.1007/BF02441012
3-Piperidin-1-ium-2-ylpyridine	4988232	Click to see C1CC[NH2+]C(C1)C2=CN=CC=C2	163.24	unknown	via CMAUP database
Anabasine	205586	Click to see C1CCNC(C1)C2=CN=CC=C2	162.23	unknown	https://doi.org/10.2135/CROPSCI1991.0011183X003100050006X https://doi.org/10.1016/0378-8741(88)90069-4 https://doi.org/10.1271/BBB1961.47.507 https://doi.org/10.1039/P19900002607
Anatalline	443848	Click to see C1CNC(CC1C2=CN=CC=C2)C3=CN=CC=C3	239.32	unknown	https://doi.org/10.1055/S-2004-832620 https://doi.org/10.1007/BF02441012
N'-Nitrosoanabasine	14335	Click to see C1CCN(C(C1)C2=CN=CC=C2)N=O	191.23	unknown	https://doi.org/10.1016/0378-8741(88)90069-4
Pyridine, 3-(2-piperidinyl)-	2181	Click to see C1CCNC(C1)C2=CN=CC=C2	162.23	unknown	https://doi.org/10.2135/CROPSCI1991.0011183X003100050006X https://doi.org/10.1016/0378-8741(88)90069-4 https://doi.org/10.1271/BBB1961.47.507 https://doi.org/10.1039/P19900002607
> Alkaloids and derivatives / Harmala alkaloids
Harmalan	160510	Click to see CC1=NCCC2=C1NC3=CC=CC=C23	184.24	unknown	https://doi.org/10.1016/S0031-9422(00)82825-3
Harman	5281404	Click to see CC1=NC=CC2=C1NC3=CC=CC=C23	182.22	unknown	https://doi.org/10.1016/S0031-9422(00)82825-3
> Alkaloids and derivatives / Protoberberine alkaloids and derivatives
(13aR)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol	1152279	Click to see COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O	327.40	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives
Phenylacetic Acid	999	Click to see C1=CC=C(C=C1)CC(=O)O	136.15	unknown	https://doi.org/10.1021/JF00116A072
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acids
Benzoic Acid	243	Click to see C1=CC=C(C=C1)C(=O)O	122.12	unknown	https://doi.org/10.1021/JF00116A072
> 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://www.ncbi.nlm.nih.gov/pmc/articles/PMC158986/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC34832/ https://doi.org/10.1094/PHYTO.1998.88.7.692 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC41889/
> Benzenoids / Benzene and substituted derivatives / Phenethylamines
Phenethylamine	1001	Click to see C1=CC=C(C=C1)CCN	121.18	unknown	https://doi.org/10.1016/0031-9422(81)80099-4
Tyramine	5610	Click to see C1=CC(=CC=C1CCN)O	137.18	unknown	https://doi.org/10.1016/0031-9422(81)80099-4 https://doi.org/10.1016/0031-9422(91)83185-N
> Benzenoids / Phenols / Methoxyphenols
(3S,4R,5S)-4-(1,3-benzodioxol-5-yl)-5-[(R)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-ol	57337813	Click to see COC1=C(C=CC(=C1)C(C2C(C(CO2)O)C3=CC4=C(C=C3)OCO4)O)O	360.40	unknown	https://doi.org/10.3987/COM-11-12349
4-Hydroxy-3-methoxycinnamaldehyde	5280536	Click to see COC1=C(C=CC(=C1)C=CC=O)O	178.18	unknown	via CMAUP database
Homovanillyl alcohol	16928	Click to see COC1=C(C=CC(=C1)CCO)O	168.19	unknown	https://doi.org/10.1021/JF00116A072
N-Trans-feruloyltramine	5280537	Click to see COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O	313.30	unknown	https://doi.org/10.1016/0031-9422(84)83018-6
Vanillin	1183	Click to see COC1=C(C=CC(=C1)C=O)O	152.15	unknown	https://doi.org/10.1080/10826079308019709
> Benzenoids / Pyrenes / Benzopyrenes
Benzo[e]pyrene	9128	Click to see C1=CC=C2C(=C1)C3=CC=CC4=C3C5=C(C=CC=C25)C=C4	252.30	unknown	https://doi.org/10.1016/0378-8741(88)90069-4
> Benzenoids / Tetralins
Occidol	11020369	Click to see CC1=C2CCC(CC2=C(C=C1)C)C(C)(C)O	218.33	unknown	https://doi.org/10.1016/S0031-9422(00)80279-4
> Lignans, neolignans and related compounds
4-[(E,3R,4R)-4,5-dihydroxy-1-(4-hydroxyphenyl)pent-1-en-3-yl]benzene-1,2-diol	163190753	Click to see C1=CC(=CC=C1C=CC(C2=CC(=C(C=C2)O)O)C(CO)O)O	302.32	unknown	https://doi.org/10.3987/COM-11-12349
4-[4,5-Dihydroxy-1-(4-hydroxyphenyl)pent-1-en-3-yl]benzene-1,2-diol	71435637	Click to see C1=CC(=CC=C1C=CC(C2=CC(=C(C=C2)O)O)C(CO)O)O	302.32	unknown	https://doi.org/10.3987/COM-11-12349
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
[8-hydroxy-6-(hydroxymethyl)-3,9-dimethylidene-2-oxo-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-methylbut-2-enoate	162853045	Click to see CC=C(C)C(=O)OC1CC(=C2CC(C(=C)C2C3C1C(=C)C(=O)O3)O)CO	360.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2013.06.002
2,6-Nonadienoic acid methyl ester	85560924	Click to see CCC=CCCC=CC(=O)OC	168.23	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
Dimethyl 2-ethyl-3-methylbut-2-enedioate	593028	Click to see CCC(=C(C)C(=O)OC)C(=O)OC	186.20	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
Dimethyl 2-ethyl-3-methylmaleate	5373405	Click to see CCC(=C(C)C(=O)OC)C(=O)OC	186.20	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters
(E)-3-Methyl-3-pentenoic acid methyl ester	13096522	Click to see CC=C(C)CC(=O)OC	128.17	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
(Z)-4-Heptenoic acid methyl ester	15585052	Click to see CCC=CCCC(=O)OC	142.20	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
(Z)-6-Nonenoic acid methyl ester	10986704	Click to see CCC=CCCCCC(=O)OC	170.25	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
3-Hexenoic acid methyl ester	61311	Click to see CCC=CCC(=O)OC	128.17	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
methyl (Z)-3-hexenoate	5362819	Click to see CCC=CCC(=O)OC	128.17	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
Methyl 3-methylpent-3-enoate	53436916	Click to see CC=C(C)CC(=O)OC	128.17	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
Methyl 4-heptenoate	535039	Click to see CCC=CCCC(=O)OC	142.20	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
Methyl(6E)-6-nonenoate	554042	Click to see CCC=CCCCCC(=O)OC	170.25	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
> 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 / Hydroxy fatty acids
(2R,3S)-2-hydroxy-3-methylpentanoic acid	10820562	Click to see CCC(C)C(C(=O)O)O	132.16	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
2-Hydroxy-3-methylpentanoic acid	164623	Click to see CCC(C)C(C(=O)O)O	132.16	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
9-Octadecenoic acid	965	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	282.50	unknown	https://doi.org/10.1271/BBB1961.52.1889
Oleic Acid	445639	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	282.50	unknown	https://doi.org/10.1007/BF02660305 https://doi.org/10.1271/BBB1961.52.1889
Palmitic Acid	985	Click to see CCCCCCCCCCCCCCCC(=O)O	256.42	unknown	https://doi.org/10.1271/BBB1961.52.1889
Stearic Acid	5281	Click to see CCCCCCCCCCCCCCCCCC(=O)O	284.50	unknown	https://doi.org/10.1271/BBB1961.52.1889
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
(2E,4E,6S)-3-methyl-9-oxo-6-propan-2-yldeca-2,4-dienoic acid	162880886	Click to see CC(C)C(CCC(=O)C)C=CC(=CC(=O)O)C	238.32	unknown	https://doi.org/10.1080/00021369.1975.10861912
(2R)-5-oxo-2-propan-2-ylhexanoic acid	919476	Click to see CC(C)C(CCC(=O)C)C(=O)O	172.22	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
2-Isopropyl-5-oxohexanoic acid	3832573	Click to see CC(C)C(CCC(=O)C)C(=O)O	172.22	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
3-Methyl-9-oxo-6-propan-2-yldeca-2,4-dienoic acid	85906489	Click to see CC(C)C(CCC(=O)C)C=CC(=CC(=O)O)C	238.32	unknown	https://doi.org/10.1080/00021369.1975.10861912
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Straight chain fatty acids
Valeric acid	7991	Click to see CCCCC(=O)O	102.13	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids
Dotriacontanoic acid	19255	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O	480.80	unknown	https://doi.org/10.1007/BF02660305
Heptacosanoic acid	23524	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O	410.70	unknown	https://doi.org/10.1007/BF02660305
Hexacosanoic acid	10469	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O	396.70	unknown	https://doi.org/10.1007/BF02660305
Octacosanoic acid	10470	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O	424.70	unknown	https://doi.org/10.1007/BF02660305
Triacontanoic acid	10471	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O	452.80	unknown	https://doi.org/10.1007/BF02660305
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
(2S,8S)-5-propan-2-ylnonane-2,8-diol	135390954	Click to see CC(C)C(CCC(C)O)CCC(C)O	202.33	unknown	https://doi.org/10.1002/HLCA.19750580702
(3r,4e)-3-Isopropyl-6-methylhepta-4,6-dien-1-ol	45140873	Click to see CC(C)C(CCO)C=CC(=C)C	168.28	unknown	https://doi.org/10.1002/HLCA.19750580702
(5R,8S)-8-hydroxy-5-propan-2-ylnonan-2-one	102096486	Click to see CC(C)C(CCC(C)O)CCC(=O)C	200.32	unknown	https://doi.org/10.1002/HLCA.19750580702
(E,2S,5R,8S)-5-propan-2-ylnon-3-ene-2,8-diol	163193784	Click to see CC(C)C(CCC(C)O)C=CC(C)O	200.32	unknown	https://doi.org/10.1002/HLCA.19750580702
(E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol	162905306	Click to see CC(C)C(CCC(C)O)C=CC1(CCCO1)C	240.38	unknown	https://doi.org/10.1002/HLCA.19750580614
(E,5R,8S)-8-hydroxy-5-propan-2-ylnon-6-en-2-one	162892243	Click to see CC(C)C(CCC(=O)C)C=CC(C)O	198.30	unknown	https://doi.org/10.1002/HLCA.19750580702
(E,8S)-8-hydroxy-3-methylnon-2-en-4-one	163001732	Click to see CC=C(C)C(=O)CCCC(C)O	170.25	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.31B-0573
5-(1-Methylethyl)-2,8-nonanediol	21498028	Click to see CC(C)C(CCC(C)O)CCC(C)O	202.33	unknown	https://doi.org/10.1002/HLCA.19750580702
5-(1-Methylethyl)-8-hydroxynonan-2-one	537619	Click to see CC(C)C(CCC(C)O)CCC(=O)C	200.32	unknown	https://doi.org/10.1002/HLCA.19750580702
5-Propan-2-ylnon-3-ene-2,8-diol	53885733	Click to see CC(C)C(CCC(C)O)C=CC(C)O	200.32	unknown	https://doi.org/10.1002/HLCA.19750580702
6-Methyl-3-propan-2-ylhepta-4,6-dien-1-ol	54173872	Click to see CC(C)C(CCO)C=CC(=C)C	168.28	unknown	https://doi.org/10.1002/HLCA.19750580702
7-(2-Methyloxolan-2-yl)-5-propan-2-ylhept-6-en-2-ol	85853886	Click to see CC(C)C(CCC(C)O)C=CC1(CCCO1)C	240.38	unknown	https://doi.org/10.1002/HLCA.19750580614
8-Hydroxy-3-methylnon-2-en-4-one	73829410	Click to see CC=C(C)C(=O)CCCC(C)O	170.25	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.31B-0573
8-Hydroxy-5-propan-2-ylnon-6-en-2-one	54079957	Click to see CC(C)C(CCC(=O)C)C=CC(C)O	198.30	unknown	https://doi.org/10.1002/HLCA.19750580702
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
Dehydrosafynol	5281147	Click to see CC=CC#CC#CC#CC#CC(CO)O	198.22	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty aldehydes
(8Z,11Z,14Z)-Heptadecatrienal	6430107	Click to see CCC=CCC=CCC=CCCCCCCC=O	248.40	unknown	https://doi.org/10.1271/BBB1961.45.769
(8Z,11Z)-Heptadecadienal	6430322	Click to see CCCCCC=CCC=CCCCCCCC=O	250.40	unknown	https://doi.org/10.1271/BBB1961.45.769
8,11,14-Heptadecatrienal	71336211	Click to see CCC=CCC=CCC=CCCCCCCC=O	248.40	unknown	https://doi.org/10.1271/BBB1961.45.769
Heptadeca-8,11-dienal	71441234	Click to see CCCCCC=CCC=CCCCCCCC=O	250.40	unknown	https://doi.org/10.1271/BBB1961.45.769
Pentadecanal	17697	Click to see CCCCCCCCCCCCCCC=O	226.40	unknown	https://doi.org/10.1271/BBB1961.45.769
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
9,12-Octadecadienoic acid	3931	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	https://doi.org/10.1271/BBB1961.52.1889
9,12,15-Octadecatrienoic acid	860	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O	278.40	unknown	https://doi.org/10.1271/BBB1961.52.1889
Linoleic Acid	5280450	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	https://doi.org/10.1007/BF02660305 https://doi.org/10.1271/BBB1961.52.1889
Linolenic Acid	5280934	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O	278.40	unknown	https://doi.org/10.1007/BF02660305 https://doi.org/10.1271/BBB1961.52.1889
Octadeca-9,12,15-trienoic acid	5282822	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O	278.40	unknown	https://doi.org/10.1007/BF02660305
> Lipids and lipid-like molecules / Glycerolipids / Glycosylglycerols / Glycosyldiacylglycerols
[(2R,3R,4S,5R,6R)-6-[(2S)-2,3-diacetyloxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate	163021804	Click to see CC(=O)OCC1C(C(C(C(O1)OCC(COC(=O)C)OC(=O)C)O)O)O	380.34	unknown	https://doi.org/10.1271/BBB1961.47.77
[6-(2,3-Diacetyloxypropoxy)-3,4,5-trihydroxyoxan-2-yl]methyl acetate	163021803	Click to see CC(=O)OCC1C(C(C(C(O1)OCC(COC(=O)C)OC(=O)C)O)O)O	380.34	unknown	https://doi.org/10.1271/BBB1961.47.77
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
(1R,2R,4aS,8aR)-2,5,5,8a-tetramethyl-1-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol	163034652	Click to see CC(=CCC1C2(CCCC(C2CCC1(C)O)(C)C)C)C=C	290.50	unknown	https://doi.org/10.1016/S0031-9422(00)80073-4
(1R,2R,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol	73114	Click to see CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C	308.50	unknown	https://doi.org/10.1007/BF00191570
(2R,3R,4S,4aR,8aR)-3,4a,8,8-tetramethyl-4-[(2Z)-3-methylpenta-2,4-dienyl]-2,4,5,6,7,8a-hexahydro-1H-naphthalene-2,3-diol	162949320	Click to see CC(=CCC1C2(CCCC(C2CC(C1(C)O)O)(C)C)C)C=C	306.50	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.34B-0391
(E)-4-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-methylbut-2-enal	163194520	Click to see CC(=CCC1C2(CCCC(C2CCC1(C)O)(C)C)C)C=O	292.50	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.34B-0391
[(E)-5-[(1S,4aR,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl] phosphono hydrogen phosphate	162883301	Click to see CC(=CCOP(=O)(O)OP(=O)(O)O)CCC1C(=C)CCC2C1(CCCC2(C)C)C	450.40	unknown	https://doi.org/10.1007/BF00191570
1-(5,9a-Dimethyl-7-propan-2-yl-1,2,3,3a,4,6a,7,8,9,9b-decahydrocyclopenta[e]azulen-3-yl)ethanone	85086567	Click to see CC1=CC2C(CCC2(C3CCC(C3C1)C(=O)C)C)C(C)C	288.50	unknown	https://doi.org/10.1016/0031-9422(88)83099-1
1-[(3R,3aR,6aR,7S,9aR,9bS)-5,9a-dimethyl-7-propan-2-yl-1,2,3,3a,4,6a,7,8,9,9b-decahydrocyclopenta[e]azulen-3-yl]ethanone	10924207	Click to see CC1=CC2C(CCC2(C3CCC(C3C1)C(=O)C)C)C(C)C	288.50	unknown	https://doi.org/10.1016/0031-9422(88)83099-1
2,5,5,8a-tetramethyl-1-(3-methylpenta-2,4-dienyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol	4565052	Click to see CC(=CCC1C2(CCCC(C2CCC1(C)O)(C)C)C)C=C	290.50	unknown	https://doi.org/10.1016/S0031-9422(00)80073-4
3,4a,8,8-tetramethyl-4-(3-methylpenta-2,4-dienyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalene-2,3-diol	76456406	Click to see CC(=CCC1C2(CCCC(C2CC(C1(C)O)O)(C)C)C)C=C	306.50	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.34B-0391
4-(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-2-methylbut-2-enal	162899287	Click to see CC(=CCC1C2(CCCC(C2CCC1(C)O)(C)C)C)C=O	292.50	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.34B-0391
cis-Abienol	643723	Click to see CC(=CCC1C2(CCCC(C2CCC1(C)O)(C)C)C)C=C	290.50	unknown	https://doi.org/10.1006/ABBI.1994.1015
Sclareol	163263	Click to see CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C	308.50	unknown	https://doi.org/10.1007/BF00191570
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Acyclic diterpenoids
(E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene	5365895	Click to see CC(=CCCC(=CCCC(=CCCC(=C)C=C)C)C)C	272.50	unknown	https://doi.org/10.1080/00021369.1980.10864299
7,11,15-Trimethyl-3-methylene-1,6,10,14-hexadecatetraene	549681	Click to see CC(=CCCC(=CCCC(=CCCC(=C)C=C)C)C)C	272.50	unknown	https://doi.org/10.1080/00021369.1980.10864299
Geranylgeranyl diphosphate	447277	Click to see CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C	450.40	unknown	https://doi.org/10.1007/BF00191570
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Cembrane diterpenoids
(1R,3R,4E,7E,9R,12S,13E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,7,13-triene-1,3,9-triol	163191337	Click to see CC1=CC(CC(C=CC(CCC(C=CC1)(C)O)C(C)C)(C)O)O	322.50	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.34B-0391
(1R,3R,4E,7E,9S,12S,13E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,7,13-triene-1,3,9-triol	163054677	Click to see CC1=CC(CC(C=CC(CCC(C=CC1)(C)O)C(C)C)(C)O)O	322.50	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.34B-0391
(1R,3R,4E,8S,12S,13E)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-4,13-diene-1,3,8-triol	163026797	Click to see CC1=CC(CC(C=CC(CCC(=C)C(CC1)O)C(C)C)(C)O)O	322.50	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.34B-0391
(1S,2E,5R,6E,8S,11Z)-1,5,11-trimethyl-8-propan-2-ylcyclotetradeca-2,6,11-triene-1,5-diol	163068397	Click to see CC1=CCCC(C=CCC(C=CC(CC1)C(C)C)(C)O)(C)O	306.50	unknown	https://doi.org/10.1016/S0031-9422(00)80073-4
(1S,3R,4E,7E,9R,12S,13E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,7,13-triene-1,3,9-triol	163054678	Click to see CC1=CC(CC(C=CC(CCC(C=CC1)(C)O)C(C)C)(C)O)O	322.50	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.34B-0391
(1S,3R,4E,7E,9S,12S,13E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,7,13-triene-1,3,9-triol	21671184	Click to see CC1=CC(CC(C=CC(CCC(C=CC1)(C)O)C(C)C)(C)O)O	322.50	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.34B-0391
(1S,3R,4E,8R,12S,13E)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-4,13-diene-1,3,8-triol	163026796	Click to see CC1=CC(CC(C=CC(CCC(=C)C(CC1)O)C(C)C)(C)O)O	322.50	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.34B-0391
(1S,3R,4Z,8Z,12S,13Z)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol	6438508	Click to see CC1=CCCC(=CC(CC(C=CC(CC1)C(C)C)(C)O)O)C	306.50	unknown	https://doi.org/10.1016/0031-9422(88)80426-6 https://doi.org/10.1016/0031-9422(88)80427-8
(1S,4R,6R,7Z,11E)-2,7,11-cembratriene-4,6-diol	10946717	Click to see CC1=CCCC(=CC(CC(C=CC(CC1)C(C)C)(C)O)O)C	306.50	unknown	via CMAUP database
(1S,4S,5E,8R,9E,11S)-4,8-dimethyl-14-methylidene-11-propan-2-ylcyclotetradeca-5,9-diene-1,4,8-triol	14756640	Click to see CC(C)C1CCC(=C)C(CCC(C=CCC(C=C1)(C)O)(C)O)O	322.50	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.34B-0391
1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, (S-(E,Z,E,E))-	6436662	Click to see CC1=CCCC(=CCC=C(C=CC(CC1)C(C)C)C)C	272.50	unknown	https://doi.org/10.1271/BBB1961.44.467
1,5-Dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-4,13-diene-1,3,8-triol	72727437	Click to see CC1=CC(CC(C=CC(CCC(=C)C(CC1)O)C(C)C)(C)O)O	322.50	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.34B-0391
1,5,9-Trimethyl-12-propan-2-ylcyclotetradeca-4,7,13-triene-1,3,9-triol	73820404	Click to see CC1=CC(CC(C=CC(CCC(C=CC1)(C)O)C(C)C)(C)O)O	322.50	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.34B-0391
4,8-Dimethyl-14-methylidene-11-propan-2-ylcyclotetradeca-5,9-diene-1,4,8-triol	163015953	Click to see CC(C)C1CCC(=C)C(CCC(C=CCC(C=C1)(C)O)(C)O)O	322.50	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.34B-0391
beta-Cembrenediol	6440192	Click to see CC1=CCCC(=CC(CC(C=CC(CC1)C(C)C)(C)O)O)C	306.50	unknown	https://doi.org/10.1016/0031-9422(88)80426-6 https://doi.org/10.1016/0031-9422(88)80427-8
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Kaurane diterpenoids
(1R,4S,9S,10R,13S)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane	12304789	Click to see CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4)C)C	272.50	unknown	https://doi.org/10.1016/0031-9422(82)83143-9
Kaur-16-ene	520687	Click to see CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4)C)C	272.50	unknown	https://doi.org/10.1016/0031-9422(82)83143-9
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
3-Carene	26049	Click to see CC1=CCC2C(C1)C2(C)C	136.23	unknown	https://doi.org/10.1016/0031-9422(94)85067-4
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
5-(1-Hydroxy-1-methylethyl)-2-methyl-2-cyclohexen-1-one, (S)-	10313290	Click to see CC1=CCC(CC1=O)C(C)(C)O	168.23	unknown	https://doi.org/10.1002/HLCA.19720550605
> Lipids and lipid-like molecules / Prenol lipids / Polyprenols
Solanesol	5477212	Click to see CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C)C)C)C)C	631.10	unknown	https://doi.org/10.1016/S0021-9673(01)89424-3 https://doi.org/10.1021/JF00063A024
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(+)-delta-Cadinene	441005	Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C	204.35	unknown	https://doi.org/10.1016/S0031-9422(00)80279-4
(+)-gamma-Cadinene	6432404	Click to see CC1=CC2C(CC1)C(=C)CCC2C(C)C	204.35	unknown	https://doi.org/10.1016/S0031-9422(00)80279-4
(1R,2E,5R,6E,8S,10E,12S)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol	163023417	Click to see CC1=CCC(C=CC(CC=CC2(CCC1O2)C)(C)O)C(C)C	304.50	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.34B-0391
(1R,2E,5R,6E,8S,12S)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol	162873811	Click to see CC(C)C1CCC(=C)C2CCC(O2)(C=CCC(C=C1)(C)O)C	304.50	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.34B-0391
(1R,2E,5S,6E,8S,10E,12S)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol	163023415	Click to see CC1=CCC(C=CC(CC=CC2(CCC1O2)C)(C)O)C(C)C	304.50	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.34B-0391
(1R,4R,5R,7S,11R)-5,10,11-trimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one	101324869	Click to see CC1CC(=O)C2CC3(C2(C14CCC3C4)C)C	218.33	unknown	https://doi.org/10.3186/JJPHYTOPATH.49.501 https://doi.org/10.1016/S0031-9422(00)80279-4
(1S,2Z,5S,6E,8S,12R)-1,5-dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol	162873810	Click to see CC(C)C1CCC(=C)C2CCC(O2)(C=CCC(C=C1)(C)O)C	304.50	unknown	https://doi.org/10.1016/S0031-9422(00)80073-4
(1S,4E,6S,8R,9E,11S,14S)-4,8,14-trimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,9-diene-6,8-diol	162843090	Click to see CC1=CC(CC(C=CC(CCC2(C(O2)CC1)C)C(C)C)(C)O)O	322.50	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.34B-0391
(1S,4E,6S,8S,9E,11S,14S)-4,8,14-trimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,9-diene-6,8-diol	162843088	Click to see CC1=CC(CC(C=CC(CCC2(C(O2)CC1)C)C(C)C)(C)O)O	322.50	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.34B-0391
(1S,4R,5S,7S,10R,11S)-5,10,11-trimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one	11665700	Click to see CC1CC(=O)C2CC3(C2(C14CCC3C4)C)C	218.33	unknown	https://doi.org/10.1016/S0031-9422(00)98531-5
(2R,5S)-6,10alpha-Dimethyl-2alpha-isopropenylspiro[4.5]deca-6-ene-8-one	11085279	Click to see CC1CC(=O)C=C(C12CCC(C2)C(=C)C)C	218.33	unknown	https://doi.org/10.1271/BBB1961.43.413 https://doi.org/10.1016/0031-9422(77)80073-3
(3R,5R,6R,8S,10S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde	163187622	Click to see CC1CC(CC(C12CCC(C2)C(=C)C)C=O)O	236.35	unknown	https://doi.org/10.1016/0031-9422(79)80035-7
(4E)-4-[(2S,3S)-2,3-dihydroxybutylidene]-3,5,5-trimethylcyclohex-2-en-1-one	163186306	Click to see CC1=CC(=O)CC(C1=CC(C(C)O)O)(C)C	224.30	unknown	https://doi.org/10.1271/BBB1961.45.769
(4Z)-4-[(2S,3S)-2,3-dihydroxybutylidene]-3,5,5-trimethylcyclohex-2-en-1-one	163189684	Click to see CC1=CC(=O)CC(C1=CC(C(C)O)O)(C)C	224.30	unknown	https://doi.org/10.1271/BBB1961.45.769
(5E,9R,10E)-6,12-dimethyl-9-propan-2-yltrideca-5,10,12-trien-2-one	122361523	Click to see CC(C)C(CCC(=CCCC(=O)C)C)C=CC(=C)C	262.40	unknown	https://doi.org/10.1002/HLCA.19750580614
[(Z,6R)-2-methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)hept-2-enyl] 4-methylpentanoate	162905707	Click to see CC1=CC=C(CC1)C(C)CCC=C(C)COC(=O)CCC(C)C	318.50	unknown	https://doi.org/10.1007/BF00630603
1,5-Dimethyl-11-methylidene-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol	162873809	Click to see CC(C)C1CCC(=C)C2CCC(O2)(C=CCC(C=C1)(C)O)C	304.50	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.34B-0391
1,5,11-Trimethyl-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol	163023414	Click to see CC1=CCC(C=CC(CC=CC2(CCC1O2)C)(C)O)C(C)C	304.50	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.34B-0391
2-(3a,5a-dimethyl-6,7,8,9-tetrahydro-5H-furo[2,3-i][2]benzofuran-8-yl)propan-2-ol	15601425	Click to see CC12CCC(CC13C(C=CO3)(OC2)C)C(C)(C)O	252.35	unknown	https://doi.org/10.1016/0031-9422(83)80220-9 https://doi.org/10.1016/S0031-9422(00)83009-5 https://doi.org/10.1271/BBB1961.43.2395 https://doi.org/10.1016/0031-9422(79)80035-7 https://doi.org/10.1016/S0031-9422(00)98531-5
2-{5,8-Dimethyl-2,6-dioxatricyclo[6.4.0.0^{1,5}]dodec-3-en-11-yl}propan-2-yl acetate	315114	Click to see CC(=O)OC(C)(C)C1CCC2(COC3(C2(C1)OC=C3)C)C	294.40	unknown	https://doi.org/10.1016/0031-9422(83)80220-9 https://doi.org/10.1016/S0031-9422(00)83009-5 https://doi.org/10.1016/0031-9422(79)80035-7 https://doi.org/10.1016/S0031-9422(00)98531-5
2-Isopropenyl-6,10-dimethylspiro[4.5]dec-6-en-8-one	521550	Click to see CC1CC(=O)C=C(C12CCC(C2)C(=C)C)C	218.33	unknown	https://doi.org/10.1016/0031-9422(77)80073-3 https://doi.org/10.1016/S0031-9422(00)82732-6 https://doi.org/10.1016/0031-9422(79)80035-7 https://doi.org/10.1016/S0031-9422(00)98531-5 https://doi.org/10.1271/BBB1961.43.413
3-Hydroxysolavetivone	15601422	Click to see CC1C(C(=O)C=C(C12CCC(C2)C(=C)C)C)O	234.33	unknown	https://doi.org/10.1016/S0031-9422(00)98531-5
4,8,14-Trimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,9-diene-6,8-diol	74110559	Click to see CC1=CC(CC(C=CC(CCC2(C(O2)CC1)C)C(C)C)(C)O)O	322.50	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.34B-0391
5,10,11-Trimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one	73047462	Click to see CC1CC(=O)C2CC3(C2(C14CCC3C4)C)C	218.33	unknown	https://doi.org/10.1016/S0031-9422(00)98531-5
6,12-Dimethyl-9-propan-2-yltrideca-5,10,12-trien-2-one	73809948	Click to see CC(C)C(CCC(=CCCC(=O)C)C)C=CC(=C)C	262.40	unknown	https://doi.org/10.1002/HLCA.19750580614
7-Hydroxy-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one	15601421	Click to see CC1C(C(=O)C=C(C12CCC(C2)C(=C)C)C)O	234.33	unknown	https://doi.org/10.1016/S0031-9422(00)98531-5
8-Hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde	3504626	Click to see CC1CC(CC(C12CCC(C2)C(=C)C)C=O)O	236.35	unknown	https://doi.org/10.1016/0031-9422(79)80035-7
8,9-Dihydro-8,9-dihydroxymegastigmatrienone	135390775	Click to see CC1=CC(=O)CC(C1=CC(C(C)O)O)(C)C	224.30	unknown	https://doi.org/10.1271/BBB1961.45.769
Cadina-1(10),4-diene	10223	Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C	204.35	unknown	https://doi.org/10.1016/S0031-9422(00)80279-4
gamma-Cadinene	15094	Click to see CC1=CC2C(CC1)C(=C)CCC2C(C)C	204.35	unknown	https://doi.org/10.1016/S0031-9422(00)80279-4
Lubimin	442383	Click to see CC1CC(CC(C12CCC(C2)C(=C)C)C=O)O	236.35	unknown	https://doi.org/10.1016/0031-9422(80)85086-2
Neophytadiene	10446	Click to see CC(C)CCCC(C)CCCC(C)CCCC(=C)C=C	278.50	unknown	via CMAUP database
Occidiol	122201253	Click to see CC1=COC=CC2(C1CC(CC2)C(C)(C)O)C	236.35	unknown	https://doi.org/10.3186/JJPHYTOPATH.49.501
Phytuberin	442387	Click to see CC(=O)OC(C)(C)C1CCC2(COC3(C2(C1)OC=C3)C)C	294.40	unknown	https://doi.org/10.3186/JJPHYTOPATH.49.501 https://doi.org/10.1016/0031-9422(79)80035-7 https://doi.org/10.1016/S0031-9422(00)98531-5 https://doi.org/10.1016/S0031-9422(00)83009-5 https://doi.org/10.1016/0031-9422(80)85086-2 https://doi.org/10.1016/0031-9422(91)83608-N https://doi.org/10.1016/S0031-9422(00)84691-9 https://doi.org/10.1016/0031-9422(83)80220-9
Phytuberol	15601426	Click to see CC12CCC(CC13C(C=CO3)(OC2)C)C(C)(C)O	252.35	unknown	https://doi.org/10.3186/JJPHYTOPATH.49.501 https://doi.org/10.1016/0031-9422(79)80035-7 https://doi.org/10.1016/S0031-9422(00)98531-5 https://doi.org/10.1016/S0031-9422(00)83009-5 https://doi.org/10.1016/0031-9422(80)85086-2 https://doi.org/10.1016/0031-9422(91)83608-N https://doi.org/10.1271/BBB1961.43.2395 https://doi.org/10.1016/S0031-9422(00)84691-9 https://doi.org/10.1016/0031-9422(83)80220-9
Solavetivone	442399	Click to see CC1CC(=O)C=C(C12CCC(C2)C(=C)C)C	218.33	unknown	https://doi.org/10.1016/0031-9422(80)85086-2 https://doi.org/10.1016/S0031-9422(00)98531-5 https://doi.org/10.1016/S0031-9422(00)82732-6 https://doi.org/10.1016/S0031-9422(00)80279-4 https://doi.org/10.3186/JJPHYTOPATH.49.501 https://doi.org/10.1016/0031-9422(79)80035-7
Ueejdiuocucvhn-pwsuyjocsa-	14135400	Click to see CC1=CC(=O)CC(C1CCC(C)O)(C)C	210.31	unknown	https://doi.org/10.1016/S0031-9422(00)80386-6
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Abscisic acids and derivatives
(2Z,4E)-3-methyl-5-[(1S)-2,6,6-trimethyl-4-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-yl]penta-2,4-dienoic acid	162985762	Click to see CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)OC2C(C(C(C(O2)CO)O)O)O)(C)C	426.50	unknown	https://doi.org/10.1271/BBB1961.52.1889
(2Z,4E)-methyl 5-((S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoate	10084943	Click to see CC1=CC(=O)CC(C1(C=CC(=CC(=O)OC)C)O)(C)C	278.34	unknown	https://doi.org/10.1271/BBB1961.52.1889
(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/10.1271/BBB1961.50.2193
3-Methyl-5-[2,6,6-trimethyl-4-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-yl]penta-2,4-dienoic acid	162985761	Click to see CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)OC2C(C(C(C(O2)CO)O)O)O)(C)C	426.50	unknown	https://doi.org/10.1271/BBB1961.52.1889
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/10.1271/BBB1961.52.1889
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/10.1271/BBB1961.52.1889
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
(+)-5-Epi-aristolochene	5460659	Click to see CC1CCCC2=CCC(CC12C)C(=C)C	204.35	unknown	https://doi.org/10.1016/0031-9422(89)80114-1 https://doi.org/10.1016/0031-9422(88)80195-X
(2R)-2-[(2R,5R,8R,8aR)-5-hydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]propane-1,2-diol	162968941	Click to see CC1CCC(C2=CCC(CC12C)C(C)(CO)O)O	254.36	unknown	https://doi.org/10.1016/0031-9422(88)80195-X
(2R)-2-[(2R,8R,8aR)-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]propane-1,2-diol	162922156	Click to see CC1CCCC2=CCC(CC12C)C(C)(CO)O	238.37	unknown	https://doi.org/10.1016/0031-9422(94)85059-3 https://doi.org/10.1016/S0031-9422(00)83009-5 https://doi.org/10.1016/S0031-9422(00)84691-9 https://doi.org/10.1016/0031-9422(88)80195-X
(2R)-2-[(2S,3R,8R,8aR)-3-hydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]propane-1,2-diol	163044369	Click to see CC1CCCC2=CC(C(CC12C)C(C)(CO)O)O	254.36	unknown	https://doi.org/10.1016/0031-9422(88)80195-X
(2R)-2-[(2S,8R,8aR)-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]propane-1,2-diol	162922155	Click to see CC1CCCC2=CCC(CC12C)C(C)(CO)O	238.37	unknown	https://doi.org/10.1016/0031-9422(88)80195-X
1-Deoxycapsidiol	14486926	Click to see CC1C(CCC2=CCC(CC12C)C(=C)C)O	220.35	unknown	https://doi.org/10.1016/0031-9422(88)80195-X
1,8a-dimethyl-7-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-ol	14486925	Click to see CC1C(CCC2=CCC(CC12C)C(=C)C)O	220.35	unknown	https://doi.org/10.1016/0031-9422(88)80195-X
2-(3-hydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl)propane-1,2-diol	163044368	Click to see CC1CCCC2=CC(C(CC12C)C(C)(CO)O)O	254.36	unknown	https://doi.org/10.1016/0031-9422(88)80195-X
2-(5-hydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl)propane-1,2-diol	14219401	Click to see CC1CCC(C2=CCC(CC12C)C(C)(CO)O)O	254.36	unknown	https://doi.org/10.1016/0031-9422(88)80195-X
2-(8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl)propane-1,2-diol	3500950	Click to see CC1CCCC2=CCC(CC12C)C(C)(CO)O	238.37	unknown	https://doi.org/10.1016/0031-9422(94)85059-3 https://doi.org/10.1016/S0031-9422(00)83009-5 https://doi.org/10.1016/S0031-9422(00)84691-9 https://doi.org/10.1016/0031-9422(88)80195-X
2-[(2R,8aR)-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]propane-1,2-diol	5316408	Click to see CC1CCCC2=CCC(CC12C)C(C)(CO)O	238.37	unknown	via CMAUP database
4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene	2237	Click to see CC1CCCC2=CCC(CC12C)C(=C)C	204.35	unknown	https://doi.org/10.1016/0031-9422(88)80195-X
6-isopropenyl-4,4a-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-1,3-diol	494902	Click to see CC1C(CC(C2=CCC(CC12C)C(=C)C)O)O	236.35	unknown	https://doi.org/10.1016/0031-9422(94)85059-3 https://doi.org/10.1016/S0031-9422(00)83009-5 https://doi.org/10.1016/0031-9422(79)80035-7 https://doi.org/10.1016/0031-9422(75)85148-X https://doi.org/10.1016/0031-9422(88)80195-X
Capsidiol	161937	Click to see CC1C(CC(C2=CCC(CC12C)C(=C)C)O)O	236.35	unknown	https://doi.org/10.1016/0031-9422(80)85086-2 https://doi.org/10.1016/0031-9422(88)80195-X https://doi.org/10.1016/S0031-9422(00)84695-6 https://doi.org/10.1016/S0031-9422(00)83009-5 https://doi.org/10.1016/0031-9422(79)80035-7 https://doi.org/10.1016/0031-9422(94)85059-3 https://doi.org/10.1016/0031-9422(91)83608-N https://doi.org/10.1016/0031-9422(88)87028-6 https://doi.org/10.1016/0031-9422(75)85148-X
Debneyol	442364	Click to see CC1CCCC2=CCC(CC12C)C(C)(CO)O	238.37	unknown	https://doi.org/10.1016/0031-9422(94)85059-3 https://doi.org/10.1016/S0031-9422(00)84691-9 https://doi.org/10.1016/0031-9422(88)87028-6 https://doi.org/10.1016/0031-9422(88)80195-X https://doi.org/10.1016/0031-9422(89)80114-1
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
Occidentalol	11138655	Click to see CC1=CC=CC2(C1CC(CC2)C(C)(C)O)C	220.35	unknown	https://doi.org/10.3186/JJPHYTOPATH.49.501
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Guaianes
(3aS,5R,8S,8aS)-3a-hydroxy-3,8-dimethyl-5-prop-1-en-2-yl-4,5,6,7,8,8a-hexahydroazulen-1-one	162872429	Click to see CC1CCC(CC2(C1C(=O)C=C2C)O)C(=C)C	234.33	unknown	https://doi.org/10.1016/S0031-9422(00)84576-8
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides
(3R,5S,6S,7R)-6,10-dimethyl-3-prop-1-en-2-yl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4.5]dec-9-en-8-one	162915973	Click to see CC1C(C(=O)C=C(C12CCC(C2)C(=C)C)C)OC3C(C(C(C(O3)CO)O)O)O	396.50	unknown	https://doi.org/10.1080/10286020903550947
(3R,5S,6S,7S)-6,10-dimethyl-3-prop-1-en-2-yl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4.5]dec-9-en-8-one	162915974	Click to see CC1C(C(=O)C=C(C12CCC(C2)C(=C)C)C)OC3C(C(C(C(O3)CO)O)O)O	396.50	unknown	https://doi.org/10.1080/10286020903550947
6,10-Dimethyl-3-prop-1-en-2-yl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4.5]dec-9-en-8-one	162915972	Click to see CC1C(C(=O)C=C(C12CCC(C2)C(=C)C)C)OC3C(C(C(C(O3)CO)O)O)O	396.50	unknown	https://doi.org/10.1080/10286020903550947
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Diterpene glycosides
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4R,5R,6R)-6-[(2Z,6E,10E,14S)-14-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol	163062570	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C)O)O)O)O)O)C)C)C)O)O)OC5C(C(C(C(O5)C)O)O)O)O)O)O	1069.20	unknown	https://doi.org/10.1271/BBB.60.903
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2Z,6E,10E,14S)-14-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol	163035814	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C)O)O)O)O)O)C)C)C)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O	1085.20	unknown	https://doi.org/10.1271/BBB.60.903
2-[[6-[14-[3,4-Dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol	163035813	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C)O)O)O)O)O)C)C)C)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O	1085.20	unknown	https://doi.org/10.1271/BBB.60.903
2-[[6-[14-[3,4-Dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol	73109831	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C)O)O)O)O)O)C)C)C)O)O)OC5C(C(C(C(O5)C)O)O)O)O)O)O	1069.20	unknown	https://doi.org/10.1271/BBB.60.903
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids
6,10,14,18,22,26,30,34-Octamethylpentatriaconta-5,9,13,17,21,25,29,33-octaen-2-one	54279504	Click to see CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C)C)C)C)C)C	603.00	unknown	https://doi.org/10.1016/S0031-9422(00)90059-1
Bombiprenone	12300193	Click to see CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C)C)C)C)C)C	603.00	unknown	https://doi.org/10.1016/S0031-9422(00)90059-1
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-1,20-bis(4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaene-1,20-dione	6384253	Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C1(CC(CC1(C)C)O)C)C=CC=C(C)C=CC(=O)C2(CC(CC2(C)C)O)C	600.90	unknown	via CMAUP database
Beta-Amyrin	73145	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C	426.70	unknown	https://doi.org/10.1007/BF02660305
Squalene	638072	Click to see CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C	410.70	unknown	https://doi.org/10.1016/0031-9422(82)83143-9
Super Squalene; trans-Squalene;AddaVax	1105	Click to see CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C	410.70	unknown	https://doi.org/10.1016/0031-9422(82)83143-9
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids / Limonoids
Dysobinin	11167838	Click to see CC(=O)OC1C2C(C(=O)C=CC2(C3CCC4(C(CC=C4C3(C1OC(=O)C)C)C5=COC=C5)C)C)(C)C	494.60	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives / Monohydroxy bile acids, alcohols and derivatives
(6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-1-ol	66603436	Click to see CC(CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C)CO	388.70	unknown	https://doi.org/10.1007/BF02660305
7-Campestenol	129703370	Click to see CC(CCC(C)C(C)CO)C1CCC2C1(CCC3C2=CCC4C3(CCCC4)C)C	400.70	unknown	https://doi.org/10.1007/BF02660305
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cholestane steroids / Cholesterols and derivatives
(3S,5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol	7157118	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C	388.70	unknown	https://doi.org/10.1007/BF02660305
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(82)83143-9
Cholesterol	5997	Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	386.70	unknown	https://doi.org/10.1007/BF02660305 https://doi.org/10.1016/0031-9422(82)83143-9
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cycloartanols and derivatives
(1S,3R,6S,8R,11S,12S,15S,16R)-7,7,12,16-tetramethyl-15-[(E,2R)-6-methylhept-4-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol	163188535	Click to see CC(C)C=CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C	426.70	unknown	https://doi.org/10.1016/0031-9422(82)83143-9
(3R,6S,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol	45109773	Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C	426.70	unknown	via CMAUP database
(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/10.1007/BF02660305
24-Methylene-cycloartanol	9547213	Click to see CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C	440.70	unknown	https://doi.org/10.1007/BF02660305
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/10.1007/BF02660305
7,7,12,16-Tetramethyl-15-(6-methylhept-4-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol	73718930	Click to see CC(C)C=CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C	426.70	unknown	https://doi.org/10.1016/0031-9422(82)83143-9
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/10.1007/BF02660305
Cycloartenone	12305360	Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C	424.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
(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/BF02660305
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/10.1007/BF02660305
5-Cholestene-3-ol, 24-methyl-	312822	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	400.70	unknown	https://doi.org/10.1007/BF02660305 https://doi.org/10.1016/0031-9422(82)83143-9
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/10.1007/BF02660305
Campestanol	119394	Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C	402.70	unknown	https://doi.org/10.1007/BF02660305
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(82)83143-9
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/10.1271/BBB1961.44.467
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Physalins and derivatives
(1R,2R,5S,8S,9R,14R,15R,17R,18R,21S,24S,26S,27S)-5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,29-tetrone	163056516	Click to see CC12CC3C4(C56C1C(=O)C(O5)(C7CC(C8(CC=CC(=O)C8(C7CCC6(C(=O)O4)O)C)O)O)OCC2C(=O)O3)C	544.50	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid lactones / Cardenolides and derivatives / Cardenolide glycosides and derivatives
Somalin	12310598	Click to see CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC)O	518.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides / Steroidal saponins
(25s)-5alpha-spirostan-3beta-ol 3-O-beta-d-glucopyranoside	129881834	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)OC1	578.80	unknown	https://doi.org/10.1007/BF00630603
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol	21626690	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)C)OC1	724.90	unknown	https://doi.org/10.1007/BF00630603
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol	162997563	Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)C)O)O)O)C)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)O	905.10	unknown	https://doi.org/10.1007/BF00630603
2-[4,5-Dihydroxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol	73813304	Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)C)OC1	724.90	unknown	https://doi.org/10.1007/BF00630603
2-[4,5-Dihydroxy-6-(hydroxymethyl)-2-[[6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol	73109552	Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)C)O)O)O)C)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)O	905.10	unknown	https://doi.org/10.1007/BF00630603
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
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/10.1016/0031-9422(82)83143-9
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/10.1016/0031-9422(82)83143-9 https://doi.org/10.1007/BF02660305 https://doi.org/10.1016/0031-9422(85)80026-1
24-Ethylcholest-5-en-3beta-ol	22012	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	https://doi.org/10.1007/BF02660305 https://doi.org/10.1016/0031-9422(85)80026-1
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/10.1007/BF02660305
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(82)83143-9
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/10.1007/BF02660305
Corbisterol	20843308	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C)C(C)C	410.70	unknown	via CMAUP database
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/10.1007/BF02660305
Stigmasterol	5280794	Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	412.70	unknown	https://doi.org/10.1007/BF02660305 https://doi.org/10.1016/0031-9422(82)83143-9 https://doi.org/10.1016/0031-9422(85)80026-1 https://doi.org/10.1016/S0031-9422(00)83740-1
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives
2-[2-(Ethoxymethyl)-5-formylpyrrol-1-yl]acetic acid	163192586	Click to see CCOCC1=CC=C(N1CC(=O)O)C=O	211.21	unknown	https://doi.org/10.1021/JF00116A072
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alanine and derivatives
(2S)-2-(phenylazaniumyl)propanoate	6946449	Click to see CC(C(=O)[O-])[NH2+]C1=CC=CC=C1	165.19	unknown	https://doi.org/10.1007/BF02660305
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids
L-Nicotianine	12313328	Click to see C1=CC(=C[N+](=C1)CCC(C(=O)O)N)C(=O)[O-]	224.21	unknown	https://doi.org/10.1016/S0031-9422(00)86660-1
Mikimopine	11969982	Click to see C1C(NC(C2=C1NC=N2)(CCC(=O)O)C(=O)O)C(=O)O	283.24	unknown	https://doi.org/10.1016/0031-9422(90)80171-C https://doi.org/10.1271/BBB1961.52.3235
N-(N-(3-Amino-3-carboxypropyl)-3-amino-3-carboxypropyl)azetidine-2-carboxylic acid	3450503	Click to see C1CN(C1C(=O)O)CCC(C(=O)O)NCCC(C(=O)O)N	303.31	unknown	https://doi.org/10.7164/ANTIBIOTICS.49.1284 https://doi.org/10.1007/S11248-005-7159-3 https://doi.org/10.1111/J.1467-7652.2008.00374.X
> 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
(1R,2S)-2-((S)-Amino(carboxy)methyl)cyclopropanecarboxylic acid	5310957	Click to see C1C(C1C(=O)O)C(C(=O)O)N	159.14	unknown	via CMAUP database
(1S,2R)-2-[(S)-Amino(carboxy)methyl]cyclopropane-1-carboxylic acid	5310958	Click to see C1C(C1C(=O)O)C(C(=O)O)N	159.14	unknown	via CMAUP database
1H-Imidazo[4,5-c]pyridine-4,6-dicarboxylicacid, 4-(2-carboxyethyl)-4,5,6,7-tetrahydro-, (4R,6S)-(9CI)	14258433	Click to see C1C(NC(C2=C1NC=N2)(CCC(=O)O)C(=O)O)C(=O)O	283.24	unknown	https://doi.org/10.1016/0031-9422(90)80171-C https://doi.org/10.1271/BBB1961.52.3235
Lysine	5962	Click to see C(CCN)CC(C(=O)O)N	146.19	unknown	https://doi.org/10.1007/BF02660305
Threonine	6288	Click to see CC(C(C(=O)O)N)O	119.12	unknown	https://doi.org/10.1007/BF02660305
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Aspartic acid and derivatives
Aspartic Acid	5960	Click to see C(C(C(=O)O)N)C(=O)O	133.10	unknown	https://doi.org/10.1007/BF02660305
D-Aspartic acid	83887	Click to see C(C(C(=O)O)N)C(=O)O	133.10	unknown	https://doi.org/10.1007/BF02660305
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Glutamic acid and derivatives
(2S,4S)-2-amino-4-[3-[(2R)-2-carboxyazetidin-1-yl]propylamino]pentanedioic acid	162962112	Click to see C1CN(C1C(=O)O)CCCNC(CC(C(=O)O)N)C(=O)O	303.31	unknown	https://doi.org/10.1016/S0040-4039(01)96769-3
2-Amino-4-[3-(2-carboxyazetidin-1-yl)propylamino]pentanedioic acid	162962111	Click to see C1CN(C1C(=O)O)CCCNC(CC(C(=O)O)N)C(=O)O	303.31	unknown	https://doi.org/10.1016/S0040-4039(01)96769-3
Glutamic Acid	33032	Click to see C(CC(=O)O)C(C(=O)O)N	147.13	unknown	https://doi.org/10.1007/BF02660305
L-saccharopinate(1-)	49791954	Click to see C(CC[NH2+]C(CCC(=O)[O-])C(=O)[O-])CC(C(=O)[O-])[NH3+]	275.28	unknown	via CMAUP database
Succinamopine	5487797	Click to see C(CC(=O)O)C(C(=O)O)NC(CC(=O)N)C(=O)O	262.22	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC215254/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Histidine and derivatives
Histidine	6274	Click to see C1=C(NC=N1)CC(C(=O)O)N	155.15	unknown	https://doi.org/10.1007/BF02660305
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Isoleucine and derivatives
l-Isoleucine	6306	Click to see CCC(C)C(C(=O)O)N	131.17	unknown	https://doi.org/10.1007/BF02660305
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Leucine and derivatives
Leucine	6106	Click to see CC(C)CC(C(=O)O)N	131.17	unknown	https://doi.org/10.1007/BF02660305
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Methionine and derivatives
D-Methionine	84815	Click to see CSCCC(C(=O)O)N	149.21	unknown	https://doi.org/10.1007/BF02660305
Methionine	6137	Click to see CSCCC(C(=O)O)N	149.21	unknown	https://doi.org/10.1007/BF02660305
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Phenylalanine and derivatives
D-phenylalanine	71567	Click to see C1=CC=C(C=C1)CC(C(=O)O)N	165.19	unknown	https://doi.org/10.1007/BF02660305
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Proline and derivatives
Proline	145742	Click to see C1CC(NC1)C(=O)O	115.13	unknown	https://doi.org/10.1007/BF02660305
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Serine and derivatives
Serine	5951	Click to see C(C(C(=O)O)N)O	105.09	unknown	https://doi.org/10.1007/BF02660305
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Tyrosine and derivatives
Tyrosine	6057	Click to see C1=CC(=CC=C1CC(C(=O)O)N)O	181.19	unknown	https://doi.org/10.1007/BF02660305
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Valine and derivatives
Valine	6287	Click to see CC(C)C(C(=O)O)N	117.15	unknown	https://doi.org/10.1007/BF02660305
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Cysteine and derivatives
Cysteine	5862	Click to see C(C(C(=O)O)N)S	121.16	unknown	https://doi.org/10.1007/BF02660305
D-cysteine	92851	Click to see C(C(C(=O)O)N)S	121.16	unknown	https://doi.org/10.1007/BF02660305
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides
Unk-D-Cit-D-Ser-D-Dab(1)-D-Asn(3S-OH)-D-Asn-ol.H-D-Thr-(1)	139589229	Click to see CCCCCCCC=CC(=O)NC(CCCNC(=O)N)C(=O)NC(CO)C(=O)NC(CCNC(=O)C(C(C)O)N)C(=O)NC(C(C(=O)N)O)C(=O)NC(CC(=O)N)CO	845.90	unknown	https://doi.org/10.1002/HLCA.19750580614 https://doi.org/10.3891/ACTA.CHEM.SCAND.29B-0677
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
Iminoaspartic acid	796	Click to see C(C(=N)C(=O)O)C(=O)O	131.09	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2013.06.002
> Organic acids and derivatives / Carboxylic acids and derivatives / Tetracarboxylic acids and derivatives
[1-Acetyloxy-4a-hydroxy-6-(3-methylbutanoyloxy)spiro[1,5,6,7a-tetrahydrocyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methyl-2-(3-methylbutanoyloxy)butanoate	5318683	Click to see CC(C)CC(=O)OC1CC2(C(C13CO3)C(OC=C2COC(=O)C(C(C)C)OC(=O)CC(C)C)OC(=O)C)O	540.60	unknown	via CMAUP database
> Organic acids and derivatives / Hydroxy acids and derivatives / Medium-chain hydroxy acids and derivatives
(E,3S,6S)-6-ethyl-3-hydroxy-3,7-dimethyloct-4-enoic acid	162954907	Click to see CCC(C=CC(C)(CC(=O)O)O)C(C)C	214.30	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
6-Ethyl-3-hydroxy-3,7-dimethyloct-4-enoic acid	162954906	Click to see CCC(C=CC(C)(CC(=O)O)O)C(C)C	214.30	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
> Organic acids and derivatives / Keto acids and derivatives / Medium-chain keto acids and derivatives
(E,3R)-6-oxo-3-propan-2-ylhept-4-enoic acid	162925594	Click to see CC(C)C(CC(=O)O)C=CC(=O)C	184.23	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
(E)-6-oxo-3-propan-2-ylhept-2-enoic acid	12444320	Click to see CC(C)C(=CC(=O)O)CCC(=O)C	184.23	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
3-(1-Methylethyl)-6-oxo-2-heptenoic acid	85821348	Click to see CC(C)C(=CC(=O)O)CCC(=O)C	184.23	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
4-Oxononanoic acid	22433	Click to see CCCCCC(=O)CCC(=O)O	172.22	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
5-Methyl-4-oxohexanoic acid	38934	Click to see CC(C)C(=O)CCC(=O)O	144.17	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
6-Oxo-3-propan-2-ylhept-4-enoic acid	162925593	Click to see CC(C)C(CC(=O)O)C=CC(=O)C	184.23	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Aralkylamines
3-(1,2,3,6-Tetrahydropyridin-2-yl)-5-tritiopyridine	11019186	Click to see C1C=CCNC1C2=CN=CC=C2	162.22	unknown	via CMAUP database
Anatabine	11388	Click to see C1C=CCNC1C2=CN=CC=C2	160.22	unknown	https://doi.org/10.2135/CROPSCI1991.0011183X003100050006X https://doi.org/10.1271/BBB1961.47.507 https://doi.org/10.1016/0378-8741(88)90069-4
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Primary amines / Monoalkylamines
1,4-Diaminobutane	1045	Click to see C(CCN)CN	88.15	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.11.003 https://doi.org/10.1016/0031-9422(81)80099-4 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1064728/
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Secondary amines / Dialkylamines
N-Methylputrescine	439791	Click to see CNCCCCN	102.18	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.11.003
N,N'-bis(3-aminopropyl)(1,4-13C2)butane-1,4-diamine	10655817	Click to see C(CCNCCCN)CNCCCN	204.33	unknown	via CMAUP database
Spermidine	1102	Click to see C(CCNCCCN)CN	145.25	unknown	https://doi.org/10.1016/0031-9422(81)80099-4 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1064728/
Spermine	1103	Click to see C(CCNCCCN)CNCCCN	202.34	unknown	https://doi.org/10.1016/0031-9422(81)80099-4
> Organic nitrogen compounds / Organonitrogen compounds / Organic nitroso compounds / Organic N-nitroso compounds
N-Nitrosodiethanolamine	14223	Click to see C(CO)N(CCO)N=O	134.13	unknown	https://doi.org/10.1016/0378-8741(88)90069-4
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(5-hydroxy-1-benzofuran-6-yl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid	56600662	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=C(C=C3C=COC3=C2)O)O)O	378.30	unknown	https://doi.org/10.3987/COM-11-12317
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(5-methoxy-1-benzofuran-6-yl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid	56600663	Click to see COC1=C(C=C2C(=C1)C=CO2)C=CC(=O)OC3CC(CC(C3O)O)(C(=O)O)O	392.40	unknown	https://doi.org/10.3987/COM-11-12317
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[3-(5-hydroxy-1-benzofuran-6-yl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid	163072648	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=C(C=C3C=COC3=C2)O)O)O	378.30	unknown	https://doi.org/10.3987/COM-11-12317
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[3-(5-methoxy-1-benzofuran-6-yl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid	162985360	Click to see COC1=C(C=C2C(=C1)C=CO2)C=CC(=O)OC3CC(CC(C3O)O)(C(=O)O)O	392.40	unknown	https://doi.org/10.3987/COM-11-12317
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/10.1515/ZNC-1986-11-1215 https://doi.org/10.32388/BMPM9K https://doi.org/10.1016/0378-8741(88)90069-4 https://doi.org/10.1515/ZNC-1995-3-423
Cryptochlorogenic acid	9798666	Click to see C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O	354.31	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Polyols / 1,2-diols
1,2,3,4,5,6,7,8-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol	534260	Click to see CC1C(C(CC2=C1CC(CC2)C(=C)C)O)O	222.32	unknown	https://doi.org/10.1016/0031-9422(79)80035-7
1,2,3,5,6,7,8,8a-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol	5743537	Click to see CC1C2CC(CCC2=CC(C1O)O)C(=C)C	222.32	unknown	via CMAUP database
Rishitin	108064	Click to see CC1C(C(CC2=C1CC(CC2)C(=C)C)O)O	222.32	unknown	https://doi.org/10.1016/0031-9422(79)80035-7 https://doi.org/10.1016/S0031-9422(00)80279-4 https://doi.org/10.1016/0031-9422(80)85086-2
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols
[(4S)-4-methyl-4-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexen-1-yl]methanol	102445398	Click to see CC1(CCC(=CC1)CO)C2(CCCC2=C)C	220.35	unknown	https://doi.org/10.1016/S0031-9422(96)00382-2
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
(1S)-4-[(3S)-3-hydroxybut-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol	92467549	Click to see CC1=C(C(CC(C1)O)(C)C)C#CC(C)O	208.30	unknown	https://doi.org/10.1016/0031-9422(75)83143-8
4-(3-Hydroxybutyn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-ol	3015541	Click to see CC1=C(C(CC(C1)O)(C)C)C#CC(C)O	208.30	unknown	https://doi.org/10.1016/0031-9422(75)83143-8
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
(1R,2R,4aS,8aS)-1,2,5,5,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol	15241252	Click to see CC1C2(CCCC(C2CCC1(C)O)(C)C)C	224.38	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.28B-0289
(1S,2R,4aS,8aS)-1-(hydroxymethyl)-2,5,5,8a-tetramethyl-decahydronaphthalen-2-ol	10879261	Click to see CC1(CCCC2(C1CCC(C2CO)(C)O)C)C	240.38	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.28B-0289
(5E,8E)-10-hydroxy-6,10-dimethylundeca-5,8-dien-2-one	92034349	Click to see CC(=O)CCC=C(C)CC=CC(C)(C)O	210.31	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.31B-0573
(E,5R)-8-hydroxy-8-methyl-5-propan-2-ylnon-6-en-2-one	101667143	Click to see CC(C)C(CCC(=O)C)C=CC(C)(C)O	212.33	unknown	https://doi.org/10.1002/HLCA.19750580702
1-(hydroxymethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol	3122513	Click to see CC1(CCCC2(C1CCC(C2CO)(C)O)C)C	240.38	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.28B-0289
1,2,5,5,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol	15241251	Click to see CC1C2(CCCC(C2CCC1(C)O)(C)C)C	224.38	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.28B-0289
10-Hydroxy-6,10-dimethylundeca-5,8-dien-2-one	71371013	Click to see CC(=O)CCC=C(C)CC=CC(C)(C)O	210.31	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.31B-0573
8-Hydroxy-5-isopropyl-8-methyl-non-6-EN-2-one	54159176	Click to see CC(C)C(CCC(=O)C)C=CC(C)(C)O	212.33	unknown	https://doi.org/10.1002/HLCA.19750580702
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Glycosylamines
1-(beta-D-Glucopyranosyl)-1,2-dihydropyridazine-3,6-dione	101930507	Click to see C1=CC(=O)N(NC1=O)C2C(C(C(C(O2)CO)O)O)O	274.23	unknown	https://doi.org/10.1271/BBB.56.1565
2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-pyridazine-3,6-dione	163083175	Click to see C1=CC(=O)N(NC1=O)C2C(C(C(C(O2)CO)O)O)O	274.23	unknown	https://doi.org/10.1271/BBB.56.1565
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
(6-Ethoxy-3,4,5-trihydroxyoxan-2-yl)methyl 2-phenylpropanoate	162903642	Click to see CCOC1C(C(C(C(O1)COC(=O)C(C)C2=CC=CC=C2)O)O)O	340.40	unknown	https://doi.org/10.1016/S0031-9422(00)84576-8
[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] (2S)-2-phenylpropanoate	163031796	Click to see CC(C1=CC=CC=C1)C(=O)OC2C(C(C(OC2O)COC3C(C(C(C(O3)CO)O)O)O)O)O	474.50	unknown	https://doi.org/10.1016/S0031-9422(00)84576-8
[(2R,3S,4S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl (2R)-2-phenylpropanoate	162903643	Click to see CCOC1C(C(C(C(O1)COC(=O)C(C)C2=CC=CC=C2)O)O)O	340.40	unknown	https://doi.org/10.1016/S0031-9422(00)84576-8
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2S)-2-phenylpropanoate	162910867	Click to see CC(C1=CC=CC=C1)C(=O)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O	474.50	unknown	https://doi.org/10.1016/S0031-9422(00)84576-8
[2,4,5-Trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] 2-phenylpropanoate	163031795	Click to see CC(C1=CC=CC=C1)C(=O)OC2C(C(C(OC2O)COC3C(C(C(C(O3)CO)O)O)O)O)O	474.50	unknown	https://doi.org/10.1016/S0031-9422(00)84576-8
[3,4,5-Trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 2-phenylpropanoate	162910866	Click to see CC(C1=CC=CC=C1)C(=O)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O	474.50	unknown	https://doi.org/10.1016/S0031-9422(00)84576-8
3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyridazin-6-one	155898110	Click to see C1=CC(=NNC1=O)OC2C(C(C(C(O2)CO)O)O)O	274.23	unknown	https://doi.org/10.1271/BBB.56.1565
6-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)pyridazin-3(2H)-one	101683512	Click to see C1=CC(=NNC1=O)OC2C(C(C(C(O2)CO)O)O)O	274.23	unknown	https://doi.org/10.1271/BBB.56.1565
Sucrose	5988	Click to see C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O	342.30	unknown	https://doi.org/10.1007/BF02660305
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides
(1R,2R,4S)-1-[(E,3R)-3-hydroxybut-1-enyl]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol	162904663	Click to see CC(C=CC12C(CC(O1)CC2(C)O)(C)C)O	226.31	unknown	https://doi.org/10.1271/BBB1961.44.467
1-(3-Hydroxybut-1-enyl)-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol	75239381	Click to see CC(C=CC12C(CC(O1)CC2(C)O)(C)C)O	226.31	unknown	https://doi.org/10.1271/BBB1961.44.467
D-(-)-Fructose	5984	Click to see C(C(C(C(C(=O)CO)O)O)O)O	180.16	unknown	https://doi.org/10.1007/BF02660305
D-Fructose	2723872	Click to see C1C(C(C(C(O1)(CO)O)O)O)O	180.16	unknown	https://doi.org/10.1007/BF02660305
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal	107526	Click to see C(C(C(C(C(C=O)O)O)O)O)O	180.16	unknown	https://doi.org/10.1007/BF02660305
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R)-2-phenylpropanoate	10358137	Click to see CC(C1=CC=CC=C1)C(=O)OC2C(C(C(C(O2)CO)O)O)O	312.31	unknown	https://doi.org/10.1016/S0031-9422(00)84576-8
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S)-2-phenylpropanoate	10018393	Click to see CC(C1=CC=CC=C1)C(=O)OC2C(C(C(C(O2)CO)O)O)O	312.31	unknown	https://doi.org/10.1016/S0031-9422(00)84576-8
1-O-(2-hydroxybenzoyl)-D-glucopyranose	54478488	Click to see C1=CC=C(C(=C1)C(=O)OC2C(C(C(C(O2)CO)O)O)O)O	300.26	unknown	https://doi.org/10.1094/PHYTO.1998.88.7.692
D-Glucose	5793	Click to see C(C1C(C(C(C(O1)O)O)O)O)O	180.16	unknown	https://doi.org/10.1007/BF02660305
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
alpha-D-Xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-D-glucose	74428025	Click to see C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)O)O)CO)O)O)O)O)O)O	474.40	unknown	https://doi.org/10.1016/S0008-6215(00)85436-1
alpha-D-xylosyl-(1->6)-beta-D-glucosyl-(1->4)-beta-D-glucose	25202590	Click to see C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)O)O)CO)O)O)O)O)O)O	474.40	unknown	https://doi.org/10.1016/S0008-6215(00)85436-1
Araf(a1-2)Xyl(a1-6)Glc(b1-4)[Araf(a1-2)Xyl(a1-6)]Glc(b1-4)b-Glc	163189744	Click to see C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)COC5C(C(C(CO5)O)O)OC6C(C(C(O6)CO)O)O)O)O)O)OC7C(C(C(O7)CO)O)O)O)O	1032.90	unknown	https://doi.org/10.1016/S0008-6215(00)85436-1
Araf(a1-2)Xyl(a1-6)Glc(b1-4)[Xyl(a1-6)]Glc(b1-4)b-Glc	163021095	Click to see C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)O)O)CO)O)O)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)OC6C(C(C(O6)CO)O)O)O)O)O)O)O)O	900.80	unknown	https://doi.org/10.1016/S0008-6215(00)85436-1
Gal(a1-6)D-Ido(a1-6)Glc(a1-2b)Psif	132990894	Click to see C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4(C(C(C(O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O	666.60	unknown	https://doi.org/10.1007/BF02660305
Pen(?1-6)Hex(?1-4)[Pen(?1-6)]Hex(?1-4)Hex	162998010	Click to see C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)COC5C(C(C(CO5)O)O)O)O)O)O)O)O)O	768.70	unknown	https://doi.org/10.1016/S0008-6215(00)85436-1
Penf(?1-2)Pen(?1-6)Hex(?1-4)[Pen(?1-6)]Hex(?1-4)Hex	163021094	Click to see C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)O)O)CO)O)O)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)OC6C(C(C(O6)CO)O)O)O)O)O)O)O)O	900.80	unknown	https://doi.org/10.1016/S0008-6215(00)85436-1
Penf(?1-2)Pen(?1-6)Hex(?1-4)[Penf(?1-2)Pen(?1-6)]Hex(?1-4)Hex	121285231	Click to see C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)COC5C(C(C(CO5)O)O)OC6C(C(C(O6)CO)O)O)O)O)O)OC7C(C(C(O7)CO)O)O)O)O	1032.90	unknown	https://doi.org/10.1016/S0008-6215(00)85436-1
Raffinose	439242	Click to see C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O	504.40	unknown	https://doi.org/10.1007/BF02660305
Stachyose	439531	Click to see C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4(C(C(C(O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O	666.60	unknown	https://doi.org/10.1007/BF02660305
Xyl(a1-6)Glc(b1-4)[Xyl(a1-6)]Glc(b1-4)b-Glc	156618167	Click to see C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)COC5C(C(C(CO5)O)O)O)O)O)O)O)O)O	768.70	unknown	https://doi.org/10.1016/S0008-6215(00)85436-1
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar amino acids and derivatives / Bicyclic amino acids and derivatives
(1R,2S,5S)-3-azoniabicyclo[3.1.0]hexane-2-carboxylate	11869789	Click to see C1C2C1C([NH2+]C2)C(=O)[O-]	127.14	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Acyloins
(2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-one	163038015	Click to see CC1(CCCC2(C1CCC(C2=O)(C)O)C)C	224.34	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.28B-1239
2-Hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-one	163038014	Click to see CC1(CCCC2(C1CCC(C2=O)(C)O)C)C	224.34	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.28B-1239
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
2,4-Decadienal	5283349	Click to see CCCCCC=CC=CC=O	152.23	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Enones
(E,5S)-5-ethyl-6-methylhept-3-en-2-one	162959185	Click to see CCC(C=CC(=O)C)C(C)C	154.25	unknown	https://doi.org/10.1016/0031-9422(73)80487-X
(E)-1-[(3S)-3-hydroxy-2,6,6-trimethylcyclohexen-1-yl]but-2-en-1-one	102527264	Click to see CC=CC(=O)C1=C(C(CCC1(C)C)O)C	208.30	unknown	https://doi.org/10.1016/0031-9422(83)83068-4
(Z)-1-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]but-2-en-1-one	98100488	Click to see CC=CC(=O)C1=C(CC(CC1(C)C)O)C	208.30	unknown	https://doi.org/10.1016/0031-9422(83)83068-4
1-(3-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one	517795	Click to see CC=CC(=O)C1=C(C(CCC1(C)C)O)C	208.30	unknown	https://doi.org/10.1016/0031-9422(83)83068-4
5-Isopropyl-3-hepten-2-one	538599	Click to see CCC(C=CC(=O)C)C(C)C	154.25	unknown	https://doi.org/10.1016/0031-9422(73)80487-X
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
(+)-8-Drimen-7-one	15761867	Click to see CC1=C(C2(CCCC(C2CC1=O)(C)C)C)C	220.35	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.29B-0677
(3R,4S,4aR,6R)-3-hydroxy-4-methyl-6-prop-1-en-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one	163190831	Click to see CC1C2CC(CCC2=CC(=O)C1O)C(=C)C	220.31	unknown	https://doi.org/10.1016/S0031-9422(00)98531-5
2-Methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione	38935	Click to see CC1=C(C(=O)CC(C1=O)(C)C)OC	182.22	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
3-hydroxy-4-methyl-6-prop-1-en-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one	3500951	Click to see CC1C2CC(CCC2=CC(=O)C1O)C(=C)C	220.31	unknown	https://doi.org/10.1016/S0031-9422(00)98531-5
Glutinosone	442371	Click to see CC1C2CC(CCC2=CC(=O)C1O)C(=C)C	220.31	unknown	https://doi.org/10.3186/JJPHYTOPATH.49.501
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
2-Tridecanone	11622	Click to see CCCCCCCCCCCC(=O)C	198.34	unknown	via CMAUP database
Solanone	6451337	Click to see CC(C)C(CCC(=O)C)C=CC(=C)C	194.31	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
1-[4-Hydroxy-3,5-bis(tritritiomethoxy)phenyl]ethanone	10536340	Click to see CC(=O)C1=CC(=C(C(=C1)OC)O)OC	208.25	unknown	via CMAUP database
3-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone	75142	Click to see COC1=C(C=CC(=C1)C(=O)CCO)O	196.20	unknown	via CMAUP database
Acetosyringone	17198	Click to see CC(=O)C1=CC(=C(C(=C1)OC)O)OC	196.20	unknown	https://doi.org/10.1016/0031-9422(88)80195-X https://doi.org/10.1248/CPB.39.2347
> Organic oxygen compounds / Organooxygen compounds / Ethers / Diarylethers
Cigatin A	10703319	Click to see C1=CC(=CN=C1)OC2=C(C=CC(=C2)O)O	203.19	unknown	https://doi.org/10.1248/CPB.48.1990
Cigatin B	10608794	Click to see CC1=C(C=NC=C1)OC2=C(C=CC(=C2)O)O	217.22	unknown	https://doi.org/10.1248/CPB.48.1990
> Organoheterocyclic compounds / Benzodioxanes / Phenylbenzodioxanes / Phenylbenzo-1,4-dioxanes
(2S,3S)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde	60143293	Click to see CC1C(OC2=C(O1)C(=CC(=C2)C=O)OC)C3=CC(=C(C(=C3)OC)OC)OC	374.40	unknown	https://doi.org/10.3987/COM-11-12349
> Organoheterocyclic compounds / Benzodioxoles
(3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-3-hydroxy-3,4-dimethyloxolan-2-one	57337912	Click to see CC1C(OC(=O)C1(C)O)C2=CC3=C(C=C2)OCO3	250.25	unknown	https://doi.org/10.3987/COM-11-12349
> Organoheterocyclic compounds / Benzofurans
Dehydrololiolide	9815531	Click to see CC1(CC(=O)CC2(C1=CC(=O)O2)C)C	194.23	unknown	https://doi.org/10.1271/BBB1961.43.1149
Dehydrololiolide, (R)-	14158699	Click to see CC1(CC(=O)CC2(C1=CC(=O)O2)C)C	194.23	unknown	https://doi.org/10.1271/BBB1961.43.1149
> 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 / Dihydrofurans / Furanones / Butenolides
3-(4-Methyl-L-pentyl)-2-buten-4-olide	86168055	Click to see CC(C)CCCC1=CC(=O)OC1	168.23	unknown	https://doi.org/10.1021/JF00035A052
3-Ethyl-4-methyl-2-penten-4-olide	86168060	Click to see CCC1=CC(=O)OC1(C)C	140.18	unknown	https://doi.org/10.1021/JF00035A052
3-Isopropyl-2-penten-4-olide	86168058	Click to see CC1C(=CC(=O)O1)C(C)C	140.18	unknown	https://doi.org/10.1021/JF00035A052
3-methyl-2-(3-oxobutyl)-2H-furan-5-one	86168064	Click to see CC1=CC(=O)OC1CCC(=O)C	168.19	unknown	https://doi.org/10.1021/JF00035A052
4-Methyl-3-(3-oxo-L-butyl)-2-penten-4-olide	86168062	Click to see CC(=O)CCC1=CC(=O)OC1(C)C	182.22	unknown	https://doi.org/10.1021/JF00035A052
Ethylmethylmaleic anhydride	77091	Click to see CCC1=C(C(=O)OC1=O)C	140.14	unknown	https://doi.org/10.1016/0031-9422(73)80688-0
> Organoheterocyclic compounds / Heteroaromatic compounds
2-Methyl-5-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)furan	78063308	Click to see CC1=CC=C(O1)C2(CCC(O2)C(=C)C)C	206.28	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.28B-0528
2-Methyl-5-[(2R,5R)-2-methyl-5-(prop-1-en-2-yl)oxolan-2-yl]furan	71365376	Click to see CC1=CC=C(O1)C2(CCC(O2)C(=C)C)C	206.28	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.28B-0528
2-Methyl-5-[(2R,5R)-2-methyl-5-(propan-2-yl)oxolan-2-yl]furan	71365374	Click to see CC1=CC=C(O1)C2(CCC(O2)C(C)C)C	208.30	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.28B-0528
2-Methyl-5-[(2R,5S)-2-methyl-5-(prop-1-en-2-yl)oxolan-2-yl]furan	71365377	Click to see CC1=CC=C(O1)C2(CCC(O2)C(=C)C)C	206.28	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.28B-0528
2-Methyl-5-[(2R,5S)-2-methyl-5-(propan-2-yl)oxolan-2-yl]furan	71365375	Click to see CC1=CC=C(O1)C2(CCC(O2)C(C)C)C	208.30	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.28B-0528
2-methyl-5-[(2S,5R)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]furan	162848161	Click to see CC1=CC=C(O1)C2(CCC(O2)C(=C)C)C	206.28	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.28B-0528
> Organoheterocyclic compounds / Indoles and derivatives / Indoles / 3-alkylindoles
Indole-3-butyric acid	8617	Click to see C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O	203.24	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC396073/
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives / Indole-3-acetic acid derivatives
Indole-3-acetic acid	802	Click to see C1=CC=C2C(=C1)C(=CN2)CC(=O)O	175.18	unknown	https://doi.org/10.1248/CPB.24.2038
methyl 2-(1H-indol-3-yl)acetate	74706	Click to see COC(=O)CC1=CNC2=CC=CC=C21	189.21	unknown	https://doi.org/10.1248/CPB.24.2038
> Organoheterocyclic compounds / Indoles and derivatives / Pyridoindoles / Beta carbolines
9H-Pyrido[3,4-B]indole	64961	Click to see C1=CC=C2C(=C1)C3=C(N2)C=NC=C3	168.19	unknown	https://doi.org/10.1016/S0031-9422(00)82825-3
> 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 / Gamma butyrolactones
(5R)-5-methyl-5-[(E,3R)-6-oxo-3-propan-2-ylhept-1-enyl]oxolan-2-one	162907183	Click to see CC(C)C(CCC(=O)C)C=CC1(CCC(=O)O1)C	252.35	unknown	https://doi.org/10.1002/HLCA.19750580614
(5R)-5-methyl-5-[(E,3S)-6-oxo-3-propan-2-ylhept-1-enyl]oxolan-2-one	162907181	Click to see CC(C)C(CCC(=O)C)C=CC1(CCC(=O)O1)C	252.35	unknown	https://doi.org/10.3891/ACTA.CHEM.SCAND.29B-0677
5-Methyl-4-hexanolide	13382542	Click to see CC(C)C1CCC(=O)O1	128.17	unknown	https://doi.org/10.1021/JF00035A052
5-Methyl-5-(5-methylfuran-2-yl)oxolan-2-one	86168066	Click to see CC1=CC=C(O1)C2(CCC(=O)O2)C	180.20	unknown	https://doi.org/10.1021/JF00035A052
> Organoheterocyclic compounds / Oxazinanes / Morpholines
N-Nitrosomorpholine	6046	Click to see C1COCCN1N=O	116.12	unknown	https://doi.org/10.1016/0378-8741(88)90069-4
> Organoheterocyclic compounds / Pyridines and derivatives
3-Ethylpyridine	10823	Click to see CCC1=CN=CC=C1	107.15	unknown	https://doi.org/10.1016/S0031-9422(00)82932-5
3-Vinylpyridine	14272	Click to see C=CC1=CN=CC=C1	105.14	unknown	https://doi.org/10.1016/S0031-9422(00)82932-5
Myosmine	442649	Click to see C1CC(=NC1)C2=CN=CC=C2	146.19	unknown	https://doi.org/10.1271/BBB1961.47.507 https://doi.org/10.1016/S0031-9422(00)82932-5
Nicotyrine	10249	Click to see CN1C=CC=C1C2=CN=CC=C2	158.20	unknown	https://doi.org/10.1271/BBB1961.47.507
Pyridine	1049	Click to see C1=CC=NC=C1	79.10	unknown	https://doi.org/10.1016/S0031-9422(00)82932-5
> Organoheterocyclic compounds / Pyridines and derivatives / Bipyridines and oligopyridines
Nicotelline	68123	Click to see C1=CC(=CN=C1)C2=CC(=NC=C2)C3=CN=CC=C3	233.27	unknown	https://doi.org/10.1007/BF02441012
> Organoheterocyclic compounds / Pyridines and derivatives / Hydropyridines
N'-Formylanatabine	14241041	Click to see C1C=CCN(C1C2=CN=CC=C2)C=O	188.23	unknown	https://doi.org/10.1021/JF00081A043 https://doi.org/10.1271/BBB1961.47.507
> Organoheterocyclic compounds / Pyridines and derivatives / Hydropyridines / Dihydropyridines
Dihydropyridine	407038	Click to see C1C=CC=CN1	81.12	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.11.003
> Organoheterocyclic compounds / Pyridines and derivatives / Methylpyridines
2-Methylpyridine	7975	Click to see CC1=CC=CC=N1	93.13	unknown	https://doi.org/10.1016/S0031-9422(00)82932-5
2,3-Dimethylpyridine	11420	Click to see CC1=C(N=CC=C1)C	107.15	unknown	https://doi.org/10.1016/S0031-9422(00)82932-5
2,6-Dimethylpyridine	7937	Click to see CC1=NC(=CC=C1)C	107.15	unknown	https://doi.org/10.1016/S0031-9422(00)82932-5
beta-PICOLINE	7970	Click to see CC1=CN=CC=C1	93.13	unknown	https://doi.org/10.1016/S0031-9422(00)82932-5
Picoline, gamma	7963	Click to see CC1=CC=NC=C1	93.13	unknown	https://doi.org/10.1016/S0031-9422(00)82932-5
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridinecarboxylic acids and derivatives / Pyridinecarboxylic acids
Nicotinic acid	938	Click to see C1=CC(=CN=C1)C(=O)O	123.11	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.11.003
Nicotinic acid,[carboxyl-14C]	644263	Click to see C1=CC(=CN=C1)C(=O)O	125.10	unknown	via CMAUP database
Quinolinic acid	1066	Click to see C1=CC(=C(N=C1)C(=O)O)C(=O)O	167.12	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2013.06.002
> Organoheterocyclic compounds / Pyridines and derivatives / Pyrrolidinylpyridines
(2R,3S,4R,5R)-2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]oxane-2,3,4,5-tetrol	101924962	Click to see C1CC(N(C1)CC2(C(C(C(CO2)O)O)O)O)C3=CN=CC=C3	310.35	unknown	https://doi.org/10.1016/0008-6215(85)85108-9
(6S)-6-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one	163084502	Click to see CCC(CCCCC(=O)N1CCCC1C2=CN=CC=C2)O	290.40	unknown	https://doi.org/10.1271/BBB1961.43.2205
(7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one	162934668	Click to see CC(CCCCCC(=O)N1CCCC1C2=CN=CC=C2)O	290.40	unknown	https://doi.org/10.1271/BBB1961.43.2205
1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone	408	Click to see CN1C(CCC1=O)C2=CN=CC=C2	176.21	unknown	https://doi.org/10.1021/JF00081A043 https://doi.org/10.1271/BBB1961.47.507
2-[(2-Pyridin-3-ylpyrrolidin-1-yl)methyl]oxane-2,3,4,5-tetrol	162965012	Click to see C1CC(N(C1)CC2(C(C(C(CO2)O)O)O)O)C3=CN=CC=C3	310.35	unknown	https://doi.org/10.1016/0008-6215(85)85108-9
3-(1-Isopropyl-pyrrolidin-2-yl)-pyridine	21355371	Click to see CC(C)N1CCCC1C2=CN=CC=C2	190.28	unknown	https://doi.org/10.1016/0031-9422(81)83023-3
3-(1-Methylpyrrolidin-2-yl)pyridine	942	Click to see CN1CCCC1C2=CN=CC=C2	162.23	unknown	https://doi.org/10.1080/01496399308018051 https://doi.org/10.1016/S0031-9422(00)82478-4 https://doi.org/10.1016/0378-8741(88)90069-4 https://doi.org/10.1016/S0176-1617(85)80206-6 https://doi.org/10.1246/CL.1988.1755 https://doi.org/10.1016/S0031-9422(00)82932-5
3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyridine	68334878	Click to see CC(C)N1CCCC1C2=CN=CC=C2	190.28	unknown	https://doi.org/10.1016/0031-9422(81)83023-3
3,5-Bis(1-methylpyrrolidin-2-yl)pyridine	90765075	Click to see CN1CCCC1C2=CC(=CN=C2)C3CCCN3C	245.36	unknown	https://doi.org/10.1016/J.LFS.2005.09.009
3,5-bis[(2S)-1-methylpyrrolidin-2-yl]pyridine	162658627	Click to see CN1CCCC1C2=CC(=CN=C2)C3CCCN3C	245.36	unknown	https://doi.org/10.1016/J.LFS.2005.09.009
6-Hydroxy-1-[2-(pyridin-3-yl)pyrrolidin-1-yl]octan-1-one	154735172	Click to see CCC(CCCCC(=O)N1CCCC1C2=CN=CC=C2)O	290.40	unknown	https://doi.org/10.1271/BBB1961.43.2205
7-Hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)octan-1-one	162934667	Click to see CC(CCCCCC(=O)N1CCCC1C2=CN=CC=C2)O	290.40	unknown	https://doi.org/10.1271/BBB1961.43.2205
Cotinine	854019	Click to see CN1C(CCC1=O)C2=CN=CC=C2	176.21	unknown	https://doi.org/10.1021/JF00081A043 https://doi.org/10.1271/BBB1961.47.507
Nicotine	89594	Click to see CN1CCCC1C2=CN=CC=C2	162.23	unknown	https://doi.org/10.1080/01496399308018051 https://doi.org/10.1016/S0031-9422(00)82478-4 https://doi.org/10.1016/0378-8741(88)90069-4 https://doi.org/10.1016/S0176-1617(85)80206-6 https://doi.org/10.1246/CL.1988.1755 https://doi.org/10.1016/S0031-9422(00)82932-5
> Organoheterocyclic compounds / Pyrrolidines
N-Nitrosopyrrolidine	13591	Click to see C1CCN(C1)N=O	100.12	unknown	https://doi.org/10.1016/0378-8741(88)90069-4
> Organoheterocyclic compounds / Pyrrolidines / N-alkylpyrrolidines
(2S)-1-methyl-2-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine	162982738	Click to see CN1CCC(C1)C2CCCN2C	168.28	unknown	https://doi.org/10.1016/J.LFS.2005.09.009
1-Methyl-2-(1-methylpyrrolidin-3-yl)pyrrolidine	58400596	Click to see CN1CCC(C1)C2CCCN2C	168.28	unknown	https://doi.org/10.1016/J.LFS.2005.09.009
> Organoheterocyclic compounds / Pyrrolines
1-Methylpyrrolinium	440932	Click to see C[N+]1=CCCC1	84.14	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2006.11.003
> Organoheterocyclic compounds / Tetrahydrofurans
(E,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-one	163045772	Click to see CC(C)C(CCC(=O)C)C=CC1(CCCO1)C	238.37	unknown	https://doi.org/10.1002/HLCA.19750580614
7-(2-Methyloxolan-2-yl)-5-propan-2-ylhept-6-en-2-one	85853885	Click to see CC(C)C(CCC(=O)C)C=CC1(CCCO1)C	238.37	unknown	https://doi.org/10.1002/HLCA.19750580614
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives
N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide	439877	Click to see C1=CC(=C(C=C1C=CC(=O)NCCCCN)O)O	250.29	unknown	https://doi.org/10.1271/BBB1961.34.972
N-Caffeoylputrescine	5280559	Click to see C1=CC(=C(C=C1C=CC(=O)NCCCCN)O)O	250.29	unknown	https://doi.org/10.1271/BBB1961.34.972
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate	54691413	Click to see COC1=C(C=CC(=C1)C=CC(=O)O)[O-]	193.18	unknown	via CMAUP database
p-Coumaroylputrescine	6439562	Click to see C1=CC(=CC=C1C=CC(=O)NCCCCN)O	234.29	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
3-(3,4-Dihydroxyphenyl)prop-2-enoate	54710367	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)[O-]	179.15	unknown	via CMAUP database
p-Coumaric acid	637542	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Coumarin glycosides
6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydrochromen-2-one	11953803	Click to see COC1=C(C=C2C(=C1)CCC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O	356.32	unknown	via CMAUP database
Esculin	5281417	Click to see C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O	340.28	unknown	https://doi.org/10.1007/BF00035916
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
Scopoletin	5280460	Click to see COC1=C(C=C2C(=C1)C=CC(=O)O2)O	192.17	unknown	https://doi.org/10.1515/ZNC-1986-11-1215 https://doi.org/10.1021/JF00116A072 https://doi.org/10.1016/0378-8741(88)90069-4
Umbelliferone	5281426	Click to see C1=CC(=CC2=C1C=CC(=O)O2)O	162.14	unknown	https://doi.org/10.1515/ZNC-1986-11-1215
> Phenylpropanoids and polyketides / Flavonoids / Flavans / 6-prenylated flavans / 6-prenylated flavanones
Cudraflavanone B	509244	Click to see CC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=C(C=C(C=C3)O)O)O)C	356.40	unknown	https://doi.org/10.1271/BBB1961.52.1889
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
(+/-)-Epicatechin	255538	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O	290.27	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones
Kaempferol oxoanion	25202062	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)[O-])O	285.23	unknown	via CMAUP database
Quercetin-7-olate	46906036	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)[O-])O)O	301.23	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Kaempferol	5280863	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O	286.24	unknown	https://doi.org/10.1016/0378-8741(88)90069-4
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides
Naringenin 4'-O-alpha-L-rhamnopyranoside	42607919	Click to see CC1C(C(C(C(O1)OC2=CC=C(C=C2)C3CC(=O)C4=C(C=C(C=C4O3)O)O)O)O)O	418.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
2-(2,3-Dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one	53399169	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=C(C(=CC=C5)O)O)O)O)O)O)O)O	610.50	unknown	via CMAUP database
Rutin	5280805	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O	610.50	unknown	https://doi.org/10.1515/ZNC-1994-1-210 https://doi.org/10.1515/ZNC-1995-3-423 https://doi.org/10.1515/ZNC-1986-11-1215 https://doi.org/10.1016/0378-8741(88)90069-4
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (2S)-3-hydroxy-2-methylpropanoate	163030082	Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)O)O)OC6C(C(C(C(O6)COC(=O)C(C)CO)O)O)O	842.70	unknown	https://doi.org/10.2135/CROPSCI1991.0011183X003100050006X https://doi.org/10.1016/0378-8741(88)90069-4 https://doi.org/10.1016/S0031-9422(00)82478-4 https://doi.org/10.1016/S0031-9422(00)82932-5 https://doi.org/10.1016/0168-9452(85)90040-8
Diosmin	5281613	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O	608.50	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavans / Isoflavanols
(2S,3R)-3-(3,4-dihydroxyphenyl)-2,6,8-trihydroxy-2,3-dihydrochromen-4-one	57336522	Click to see C1=CC(=C(C=C1C2C(OC3=C(C2=O)C=C(C=C3O)O)O)O)O	304.25	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / 3-prenylated chalcones
Morachalcone A	9862769	Click to see CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=C(C=C(C=C2)O)O)O)C	340.40	unknown	via CMAUP database

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Nicotiana tabacum

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