Scientific name	Authority	First published in
Vitex agnus	Stokes	Bot. Mat. Med. 2: 413 (1812)
Vitex agnus-castus var. caerulea	Rehder	Cycl. Amer. Hort. 4: 1947 1902
Vitex agnus-castus f. caerulea	(Rehder) Moldenke	Phytologia 44: 134 (1979)
Vitex agnus-castus f. laciniosa	(Ces.) Moldenke	Phytologia 44: 342 (1979)
Vitex agnus-castus var. laciniosa	Ces.	Comp. Fl. Ital. 327 1874
Vitex agnus-castus var. pseudonegundo	Hausskn.	Beih. Bot. Centralbl. 22(2): 117. 1907
Vitex hybrida	Moldenke	Phytologia 2: 29 (1941)
Vitex integra	Medik.	Bot. Beob. 1782 : 313 (1783)
Vitex latifolia	Mill.	Gard. Dict. ed. 8 : n.º 2 (1768)
Vitex lupinifolia	Salisb.	Prodr. Stirp. Chap. Allerton : 106 (1796)
Vitex pseudonegundo	Hand.-Mazz.	Ann. K. K. Naturhist. Hofmus. 27: 408 (1913)
Vitex robusta	Lebas	Rev. Hort. (Paris) 41: 30 (1869)
Vitex verticillata	Lam.	Fl. Franç. 2: 363 (1779)
Vitex agnus-castus var. serrata	Moldenke	Amer. Midl. Naturalist 24: 753. 1940
Vitex agnus-castus var. latifolia	(Mill.) Loudon	Hort. Brit. 246 1830
Vitex agnus-castus f. albiflora	Moldenke	Phytologia 4: 59 1952
Agnus-castus robusta	Carrière	Rev. Hort. (Paris) 42: 415 (1870 publ. 1871)
Agnus-castus vulgaris	Carrière	Rev. Hort. (Paris) 42: 414 (1870 publ. 1871)

Common names Top

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Filter by language:

Language	Common/alternative name
English	chasteberry
English	chaste tree
English	lilac chaste tree
English	lilac chastetree
English	monk's pepper
Arabic	مدعي الحمام
Arabic	كف مريم
Arabic	كف الجذماء
Arabic	كفيفة
Arabic	شجرة. مريم
Arabic	كف العذراء
Arabic	ارثد
Arabic	حشيشة أبو شيح
Arabic	شجرة ابراهيم
Arabic	شجرة الرهبان
Azerbaijani	Ərküdə
Catalan	aloc
Czech	mnišský pepř
Czech	drmek obecný
Danish	kyskhedstræ
German	mönchspfeffer
Greek	Λυγαριά
Basque	zalitzuki
Persian	پنجانگشت
Finnish	siveydenpuu
French	gattilier
Galician	agnocasto
Hebrew	שיח אברהם
Hebrew	שיח-אברהם מצוי
Croatian	prstasta konopljika
Hungarian	barátcserje
Armenian	Կուսածառ սովորական
Japanese	セイヨウニンジンボク
Georgian	წკეპლა ცხარე
Kazakh	Зәмбіл ағаш
Norwegian Bokmål	kyskhetstre
Dutch	monnikspeper
Dutch	kuisheidsboom
os	Халсаскъ
Polish	niepokalanek pospolity
Russian	Витекс священный
Serbian	Конопљика
Turkish	hayıt
ug	ھايات دەرىخى
Chinese	穗花牡荆

Subspecies (abbr. subsp./ssp.) Top

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No subspecies added yet.

Varieties (abbr. var.) Top

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No variety added yet.

Subvarieties (abbr. subvar.) Top

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No subvariety added yet.

Forms (abbr. f.) Top

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No forms added yet.

Germination/Propagation Top

Suggest a correction or add new data!

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

Requires Light or Surface Sowing: These seeds need light to germinate and should not be covered with soil or only very lightly. They are often very small and sown directly on the surface of the growing medium.

Requires Soaking: These seeds need to be soaked in warm water until they swell, which can take 24-48 hours. Seeds that float are usually not viable and should be discarded, along with the soaking water.

Distribution (via POWO/KEW) Top

Legend for the distribution data:

- Doubtful data

- Extinct

- Introduced

- Native

Africa click to expand
- Northern Africa
  - Algeria
  - Egypt
  - Libya
  - Morocco
  - Tunisia

Asia-temperate click to expand
- Arabian Peninsula
  - Gulf States
  - Oman
- Caucasus
  - North Caucasus
  - Transcaucasus
- Middle Asia
  - Tadzhikistan
  - Turkmenistan
- Western Asia
  - Afghanistan
  - Cyprus
  - East Aegean Islands
  - Iran
  - Iraq
  - Lebanon-Syria
  - Palestine
  - Turkey

Asia-tropical click to expand
- Indian Subcontinent
  - Pakistan

Europe click to expand
- Eastern Europe
  - Krym
- Southeastern Europe
  - Albania
  - Bulgaria
  - Greece
  - Italy
  - Kriti
  - Sicilia
  - Turkey-in-Europe
  - Yugoslavia
- Southwestern Europe
  - Baleares
  - Corse
  - France
  - Sardegna
  - Spain

Northern America click to expand
- Mexico
  - Mexico Northeast
- South-central U.S.A.
  - New Mexico
- Southeastern U.S.A.
  - Alabama
  - Florida
  - Kentucky
  - Mississippi

Southern America click to expand
- Brazil
  - Brazil Northeast
- Caribbean
  - Cuba
  - Dominican Republic
  - Haiti
  - Leeward Islands
  - Puerto Rico
- Central America
  - Honduras
  - Nicaragua
- Western South America
  - Peru

Links to other databases Top

Suggest others/fix!

Database	ID/link to page
World Flora Online	wfo-0000332916
UNII	9HDT03PZ0N
Florida Plant Atlas	1520
Flora of Alabama	3705
USDA Plants	VIAG
Tropicos	33700881
INPN	129914
Flora of Italy	4387
KEW	urn:lsid:ipni.org:names:865568-1
The Plant List	kew-213297
Missouri Botanical Garden	287476
Open Tree Of Life	988127
NCBI Taxonomy	54477
Nature Serve	2.130830
IUCN Red List	203350
IPNI	865568-1
iNaturalist	170271
GBIF	2925562
Freebase	/m/02g6bk
EPPO	VIXAC
EOL	579727
Calflora (Californian flora)	8757
US Library of Congress	sh97008691
USDA GRIN	41813
Wikipedia	Vitex_agnus-castus
CMAUP	NPO7728

Genomes (via NCBI) Top

No reference genome is available on NCBI yet. We are constantly monitoring for new data.

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

The Chemical Composition and Antimicrobial Activity of the Leaf Oil ofVitex agnus-castusL.

O. Ekundayo, I. Laakso, M. Holopainen, R. Hiltunen, B. Oguntimein, V. Kauppinen

Informa UK Limited

24-Apr-2012

doi:	10.1080/10412905.1990.9697840

A new diterpenoid glucoside and two new diterpenoids from the fruit of Vitex agnus-castus.

Ono M, Eguchi K, Konoshita M, Furusawa C, Sakamoto J, Yasuda S, Ikeda T, Okawa M, Kinjo J, Yoshimitsu H, Nohara T

Chem Pharm Bull (Tokyo)

01-Jan-2011

doi:	10.1248/CPB.59.392
PMID:	21372425

Phytoconstituents from Vitex agnus-castus fruits

Chen SN, Friesen JB, Webster D, Nikolic D, van Breemen RB, Wang ZJ, Fong HH, Farnsworth NR, Pauli GF

Fitoterapia

13-Dec-2010

PMCID:	PMC3081944
doi:	10.1016/j.fitote.2010.12.003
PMID:	21163339

Isolation and immunomodulatory properties of a flavonoid, casticin from Vitex agnus-castus.

Mesaik MA, Murad S, Khan KM, Tareen RB, Ahmed A, Choudhary MI

Phytother Res

01-Nov-2009

doi:	10.1002/PTR.2492
PMID:	19441009

Three new diterpenoids from the fruit of Vitex agnus-castus.

Ono M, Nagasawa Y, Ikeda T, Tsuchihashi R, Okawa M, Kinjo J, Yoshimitsu H, Nohara T

Chem Pharm Bull (Tokyo)

01-Oct-2009

doi:	10.1248/CPB.57.1132
PMID:	19801874

Antiinflammatory and lipoxygenase inhibitory compounds from Vitex agnus-castus.

Choudhary MI, Jalil S, Nawaz SA, Khan KM, Tareen RB

Phytother Res

01-Sep-2009

doi:	10.1002/PTR.2639
PMID:	19173281

Five new diterpenoids, viteagnusins A--E, from the fruit of Vitex agnus-castus.

Ono M, Yamasaki T, Konoshita M, Ikeda T, Okawa M, Kinjo J, Yoshimitsu H, Nohara T

Chem Pharm Bull (Tokyo)

01-Nov-2008

doi:	10.1248/CPB.56.1621
PMID:	18981619

Ecdysteroids from Vitex species: distribution and compilation of their 13C-NMR spectral data.

Sena Filho JG, Duringer J, Maia GL, Tavares JF, Xavier HS, da Silva MS, da-Cunha EV, Barbosa-Filho JM

Chem Biodivers

01-May-2008

doi:	10.1002/CBDV.200890067
PMID:	18493957

Enzymatic inhibitory activity and trypanocidal effects of extracts and compounds from Siphoneugena densiflora O. Berg and Vitex polygama Cham.

Gallo MB, Marques AS, Vieira PC, da Silva MF, Fernandes JB, Silva M, Guido RV, Oliva G, Thiemann OH, Albuquerque S, Fairlamb AH

Z Naturforsch C J Biosci

01-May-2008

PMCID:	PMC3428908
doi:	10.1515/ZNC-2008-5-611
PMID:	18669023

Gynecological efficacy and chemical investigation of Vitex agnus-castus L. fruits growing in Egypt.

Ibrahim NA, Shalaby AS, Farag RS, Elbaroty GS, Nofal SM, Hassan EM

Nat Prod Res

15-Apr-2008

doi:	10.1080/14786410701592612
PMID:	18415863

Diterpenoids and flavonoids from the fruits of Vitex agnus-castus and antioxidant activity of the fruit extracts and their constituents.

Hajdú Z, Hohmann J, Forgo P, Martinek T, Dervarics M, Zupkó I, Falkay G, Cossuta D, Máthé I

Phytother Res

01-Apr-2007

doi:	10.1002/PTR.2021
PMID:	17262892

Δ4-3-Ketosteroids in Flowers and Leaves ofVitex agnus-castus

M. Šaden-Krehula, D. Kuštrak, N. Blažević

Georg Thieme Verlag KG

15-Jan-2007

doi:	10.1055/S-2006-961123

In vitro assays for bioactivity-guided isolation of endocrine active compounds in Vitex agnus-castus

Hubertus Jarry, Barbara Spengler, Wolfgang Wuttke, Volker Christoffel

Elsevier BV

25-Aug-2006

doi:	10.1016/J.MATURITAS.2006.06.014

Essential Oil Composition of Leaves and Berries ofVitex agnus-castusL. from Calabria, Southern Italy

Guido C. Galletti, Maria Teresa Russo, Paola Bocchini

Wiley

09-Aug-2005

doi:	10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4

Pyrolysis gas chromatography/mass spectrometry used to simultaneously determine essential oil and phenolic compounds in the monks' pepper vitex agnus‐castus L

Guido C. Galletti, Maria Teresa Russo, Paola Bocchini

Wiley

29-May-2005

doi:	10.1002/RCM.1290091307

Phytochemical Profile Top

Add a new one!

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

Name	PubChem ID	Canonical SMILES	MW	Found in	Proof
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
3,4-Dihydroxybenzoic acid	72	Click to see C1=CC(=C(C=C1C(=O)O)O)O	154.12	unknown	https://doi.org/10.1002/PTR.2639
4-Hydroxybenzoic acid	135	Click to see C1=CC(=CC=C1C(=O)O)O	138.12	unknown	https://doi.org/10.1002/1099-1565(200009/10)11:5<327::AID-PCA523>3.0.CO;2-0 https://doi.org/10.1002/PTR.2639 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
Vanillic Acid	8468	Click to see COC1=C(C=CC(=C1)C(=O)O)O	168.15	unknown	https://doi.org/10.1002/PTR.2639
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / O-methoxybenzoic acids and derivatives
5-Hydroxy-2-methoxybenzoic acid	18464607	Click to see COC1=C(C=C(C=C1)O)C(=O)O	168.15	unknown	https://doi.org/10.1002/PTR.2639
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / p-Hydroxybenzoic acid esters / p-Hydroxybenzoic acid alkyl esters
Methylparaben	7456	Click to see COC(=O)C1=CC=C(C=C1)O	152.15	unknown	https://doi.org/10.1002/PTR.2639
> Benzenoids / Benzene and substituted derivatives / Phenylacetaldehydes
2-Phenylpropanal	7146	Click to see CC(C=O)C1=CC=CC=C1	134.17	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
> Benzenoids / Benzene and substituted derivatives / Phenylpropanes
2-(4-Methylphenyl)propan-2-ol	14529	Click to see CC1=CC=C(C=C1)C(C)(C)O	150.22	unknown	https://doi.org/10.1080/10412905.1990.9697840
> Benzenoids / Benzene and substituted derivatives / Styrenes
4-Vinylphenol	62453	Click to see C=CC1=CC=C(C=C1)O	120.15	unknown	https://doi.org/10.1002/RCM.1290091307
> Benzenoids / Phenol ethers / Anisoles
Anethole	637563	Click to see CC=CC1=CC=C(C=C1)OC	148.20	unknown	https://doi.org/10.1055/S-2006-957814
Methoxy-4-propenylbenzene	7703	Click to see CC=CC1=CC=C(C=C1)OC	148.20	unknown	https://doi.org/10.1055/S-2006-957814
> Benzenoids / Phenols / 1-hydroxy-4-unsubstituted benzenoids
Phenol	996	Click to see C1=CC=C(C=C1)O	94.11	unknown	https://doi.org/10.1002/RCM.1290091307
> Benzenoids / Phenols / Methoxyphenols
Guaiacol	460	Click to see COC1=CC=CC=C1O	124.14	unknown	https://doi.org/10.1002/RCM.1290091307
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Hexacosane	12407	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCC	366.70	unknown	https://doi.org/10.1002/RCM.1290091307
Octacosane	12408	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCC	394.80	unknown	https://doi.org/10.1002/RCM.1290091307
Tetracosane	12592	Click to see CCCCCCCCCCCCCCCCCCCCCCCC	338.70	unknown	https://doi.org/10.1002/RCM.1290091307
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
gamma-Terpinene	7461	Click to see CC1=CCC(=CC1)C(C)C	136.23	unknown	https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters
Methyl tetracosanoate	75546	Click to see CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC	382.70	unknown	https://doi.org/10.1002/RCM.1290091307
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
(E)-8-Decene-4,6-diynyl 6-O-D-apio-beta-D-furanosyl beta-D-glucopyranoside	46830373	Click to see CC=CC#CC#CCCCOC1C(C(C(C(O1)COC2C(C(CO2)(CO)O)O)O)O)O	442.50	unknown	via CMAUP database
[(3S,8E)-3-Hydroxy-8-decene-4,6-diynyl]beta-D-glucopyranoside	10268235	Click to see CC=CC#CC#CC(CCOC1C(C(C(C(O1)CO)O)O)O)O	326.34	unknown	via CMAUP database
Bidenoside C	70695725	Click to see CC=CC#CC#CCCCOC1C(C(C(C(O1)CO)O)O)O	310.34	unknown	via CMAUP database
Bidensyneoside A1	10903496	Click to see CC=CC#CC#CC(CCOC1C(C(C(C(O1)CO)O)O)O)O	326.34	unknown	via CMAUP database
Gymnasterkoreaside B	11091753	Click to see CC=CC#CC#CC(CCOC1C(C(C(C(O1)COC2C(C(CO2)(CO)O)O)O)O)O)O	458.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters
Citronellyl acetate	9017	Click to see CC(CCC=C(C)C)CCOC(=O)C	198.30	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1002/RCM.1290091307
Gymnasterkoreayne C	11779567	Click to see CC(=O)OC(C=C)C#CC#CC(C=CCCCCCC=C)O	300.40	unknown	via CMAUP database
Gymnasterkoreayne D	9972025	Click to see CC(=O)OCC=CC#CC#CC(C=CCCCCCC=C)O	300.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
(2E,8S,9Z)-2,9,16-Heptadecatriene-4,6-diyne-8-ol	101745966	Click to see CC=CC#CC#CC(C=CCCCCCC=C)O	242.36	unknown	via CMAUP database
(8S,9Z)-1,9,16-Heptadecatriene-4,6-diyne-8-ol	10399497	Click to see C=CCCCCCC=CC(C#CC#CCC=C)O	242.36	unknown	via CMAUP database
1-Heptanol	8129	Click to see CCCCCCCO	116.20	unknown	https://doi.org/10.1055/S-2006-957814
Gymnasterkoreayne A	636738	Click to see CC=CC#CC#CC(CCO)O	164.20	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
(2E,9Z)-2,9,16-heptadecatrien-4,6-diyn-1,8-diol	24205422	Click to see C=CCCCCCC=CC(C#CC#CC=CCO)O	258.35	unknown	via CMAUP database
(2R,3S,8R,9Z)-heptadeca-9,16-dien-4,6-diyne-2,3,8-triol	60144702	Click to see CC(C(C#CC#CC(C=CCCCCCC=C)O)O)O	276.40	unknown	via CMAUP database
(8Z,10S,15R,16S)-1,8-Heptadecadiene-11,13-diyne-10,15,16-triol	11514622	Click to see CC(C(C#CC#CC(C=CCCCCCC=C)O)O)O	276.40	unknown	via CMAUP database
1,9,16-Heptadecatriene-4,6-diyne-3,8-diol	5469786	Click to see C=CCCCCCC=CC(C#CC#CC(C=C)O)O	258.35	unknown	via CMAUP database
Gymnasterkoreayne F	10355169	Click to see C=CCCCCCC=CC(C#CC#CC=CCO)O	258.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
1-Monolinolein	117319	Click to see CCCCCC=CCC=CCCCCCCCC(=O)OCC(CO)O	354.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
3-Linoleoyl-sn-glycerol	40489139	Click to see CCCCCC=CCC=CCCCCCCCC(=O)OCC(CO)O	354.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
Linoleic Acid	5280450	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	https://doi.org/10.1078/0944-7113-00331
> Lipids and lipid-like molecules / Glycerophosphonolipids / Glycerophosphonocholines / Glycerol-3-phosphonocholines
[(2R)-2-hydroxy-3-[(2S)-2-methoxy-12-methyloctadeca-7,17-dien-5-ynoyl]oxypropoxy]-[2-(trimethylazaniumyl)ethyl]phosphinate	163195445	Click to see CC(CCCCC=C)CCCC=CC#CCCC(C(=O)OCC(COP(=O)(CC[N+](C)(C)C)[O-])O)OC	543.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
(1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ol	162958269	Click to see CC1CCC2C(CCCC2(C1(CCC(C)(C=C)O)O)C)(C)C	308.50	unknown	https://doi.org/10.1248/CPB.56.1621
(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/10.1055/S-2006-957814 https://doi.org/10.1055/S-2006-957433
(1R,2S,4aR,8aR)-1-[(3S)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol	93909259	Click to see CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C	308.50	unknown	https://doi.org/10.1248/CPB.56.1621
(1R,2S,4aS,8aS)-1-[(3S)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol	1784046	Click to see CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C	308.50	unknown	https://doi.org/10.1248/CPB.59.392 https://doi.org/10.1248/CPB.56.1621
(1S,2R,4aS,8aR)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol	124717561	Click to see CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C	308.50	unknown	https://doi.org/10.1248/CPB.56.1621
(1S,2R,4aS,8aS)-1-[(3S)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol	7060887	Click to see CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C	308.50	unknown	https://doi.org/10.1248/CPB.59.392
(1S,2S,4aR,8aR)-1-[(3S)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ol	162958268	Click to see CC1CCC2C(CCCC2(C1(CCC(C)(C=C)O)O)C)(C)C	308.50	unknown	https://doi.org/10.1248/CPB.56.1621
(3S)-5-[(1R,4aR,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol	129317223	Click to see CC1(CCCC2(C1CCC(=C)C2CCC(C)(C=C)O)C)C	290.50	unknown	https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
(6b,7b,13R)-6,7-Diacetoxy-8,14-labdadiene-13-ol	18008143	Click to see CC1=C(C2(CCCC(C2C(C1OC(=O)C)OC(=O)C)(C)C)C)CCC(C)(C=C)O	406.60	unknown	https://doi.org/10.1016/S0031-9422(99)00181-8
1-(3-hydroxy-3-methylpent-4-enyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ol	74390817	Click to see CC1CCC2C(CCCC2(C1(CCC(C)(C=C)O)O)C)(C)C	308.50	unknown	https://doi.org/10.1248/CPB.56.1621
1-Naphthalenepropanol, alpha-ethenyldecahydro-2-hydroxy-alpha,2,5,5,8a-pentamethyl-, [1R-[1alpha(R*),2beta,4abeta,8aalpha]]-	521332	Click to see CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C	308.50	unknown	https://doi.org/10.1248/CPB.59.392 https://doi.org/10.1248/CPB.56.1621
13-Episclareol	56842011	Click to see CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C	308.50	unknown	https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1055/S-2006-957433
6beta,7beta-Diacetoxy-13-hydroxylabda-8,14-diene	10409083	Click to see CC1=C(C2(CCCC(C2C(C1OC(=O)C)OC(=O)C)(C)C)C)CCC(C)(C=C)O	406.60	unknown	https://doi.org/10.1016/S0031-9422(99)00181-8
Abietatriene	6432211	Click to see CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C)C	270.50	unknown	https://doi.org/10.1055/S-2006-957814
Beyerene	107412	Click to see CC1(CCCC2(C1CCC34C2CCC(C3)(C=C4)C)C)C	272.50	unknown	https://doi.org/10.1055/S-2006-957814
CID 100992380	100992380	Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(OC4)OC)C)(C)C)OC(=O)C	394.50	unknown	https://doi.org/10.1248/CPB.57.1132
CID 100992385	100992385	Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(OC4)OC)C)(C)C)OC(=O)C	394.50	unknown	https://doi.org/10.1248/CPB.57.1132
CID 100992386	100992386	Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(OC4)OC)C)(C)C)OC(=O)C	394.50	unknown	https://doi.org/10.1248/CPB.57.1132
CID 100992387	100992387	Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(OC4)OC)C)(C)C)OC(=O)C	394.50	unknown	https://doi.org/10.1248/CPB.57.1132
CID 85190129	85190129	Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(OC4)OC)C)(C)C)OC(=O)C	394.50	unknown	https://doi.org/10.1248/CPB.57.1132
Manool	3034394	Click to see CC1(CCCC2(C1CCC(=C)C2CCC(C)(C=C)O)C)C	290.50	unknown	https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1002/RCM.1290091307
Viteagnusin C	7060889	Click to see CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C	308.50	unknown	https://doi.org/10.1248/CPB.56.1621
viteagnusin D	25132131	Click to see CC1CCC2C(CCCC2(C1(CCC(C)(C=C)O)O)C)(C)C	308.50	unknown	https://doi.org/10.1248/CPB.56.1621
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Colensane and clerodane diterpenoids
[(1R,4aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate	5321001	Click to see CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C)OC(=O)C	362.50	unknown	https://doi.org/10.1016/S0944-7113(00)80058-6 https://doi.org/10.1055/S-2000-8535 https://doi.org/10.1016/S0031-9422(99)00181-8 https://doi.org/10.1016/J.MATURITAS.2006.06.014
1-[2-(3-Furyl)ethyl]decahydro-2alpha,5,5,8abeta-tetramethylnaphthalene-1alpha,4beta-diol 4-acetate	18008144	Click to see CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C)OC(=O)C	362.50	unknown	https://doi.org/10.1016/S0031-9422(99)00181-8
Rotundifuran	9841926	Click to see CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C)OC(=O)C	362.50	unknown	https://doi.org/10.1016/S0944-7113(00)80058-6 https://doi.org/10.1055/S-2000-8535 https://doi.org/10.1016/S0031-9422(99)00181-8 https://doi.org/10.1016/J.MATURITAS.2006.06.014
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
beta-CITRONELLOL, (+/-)-	8842	Click to see CC(CCC=C(C)C)CCO	156.26	unknown	https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1080/10412905.1990.9697840
beta-OCIMENE, (3E)-	5281553	Click to see CC(=CCC=C(C)C=C)C	136.23	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
Linalool, (+)-	67179	Click to see CC(=CCCC(C)(C=C)O)C	154.25	unknown	https://doi.org/10.1055/S-2006-957433
Linalool, (+/-)-	6549	Click to see CC(=CCCC(C)(C=C)O)C	154.25	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1080/10412905.1990.9697840 https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1055/S-2006-957433
Myrcene	31253	Click to see CC(=CCCC(=C)C=C)C	136.23	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1080/10412905.1990.9697840 https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1055/S-2000-10685 https://doi.org/10.1055/S-2006-957433
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
Cuminaldehyde	326	Click to see CC(C)C1=CC=C(C=C1)C=O	148.20	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
p-CYMENE	7463	Click to see CC1=CC=C(C=C1)C(C)C	134.22	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1080/10412905.1990.9697840 https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1055/S-2006-957433
Thymol	6989	Click to see CC1=CC(=C(C=C1)C(C)C)O	150.22	unknown	https://doi.org/10.1055/S-2006-957814
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(-)-alpha-Thujene	637518	Click to see CC1=CCC2(C1C2)C(C)C	136.23	unknown	https://doi.org/10.1055/S-2006-957433
(-)-beta-Pinene	440967	Click to see CC1(C2CCC(=C)C1C2)C	136.23	unknown	https://doi.org/10.1055/S-2006-957433
(+)-alpha-Pinene	82227	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	https://doi.org/10.1055/S-2006-957433
(1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl)acetic acid	20327362	Click to see CC1(C2CCC1(C(C2)CC(=O)O)C)C	196.29	unknown	https://doi.org/10.1080/10412905.1990.9697840
(1R)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene	6451618	Click to see CC1=CCC2(C1C2)C(C)C	136.23	unknown	https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1055/S-2006-957433
(1S,2R,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol	88298	Click to see CC1=CC(C2CC1C2(C)C)O	152.23	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
(1S,3R,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol	12314318	Click to see CC1(C2CC1C(=C)C(C2)O)C	152.23	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol	64685	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	https://doi.org/10.1055/S-2006-957433
3-Thujanone	11027	Click to see CC1C2CC2(CC1=O)C(C)C	152.23	unknown	https://doi.org/10.1055/S-2006-957433
alpha-Bergamotene, (E)-(-)-	6429302	Click to see CC1=CCC2CC1C2(C)CCC=C(C)C	204.35	unknown	https://doi.org/10.1055/S-2006-957814
alpha-CIS-BERGAMOTENE	6429303	Click to see CC1=CCC2CC1C2(C)CCC=C(C)C	204.35	unknown	https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1055/S-2006-957433
alpha-PINENE	6654	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1080/10412905.1990.9697840 https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1055/S-2000-10685 https://doi.org/10.1055/S-2006-957433
beta-Pinene	14896	Click to see CC1(C2CCC(=C)C1C2)C	136.23	unknown	https://doi.org/10.1080/10412905.1990.9697840 https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1055/S-2000-10685 https://doi.org/10.1055/S-2006-957433
beta-Thujone	91456	Click to see CC1C2CC2(CC1=O)C(C)C	152.23	unknown	https://doi.org/10.1055/S-2006-957433
Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)-	17868	Click to see CC1=CCC2(C1C2)C(C)C	136.23	unknown	https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1055/S-2006-957433 https://doi.org/10.1080/10412905.1990.9697840
Borneol	6552009	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	https://doi.org/10.1055/S-2006-957433
Camphene	6616	Click to see CC1(C2CCC(C2)C1=C)C	136.23	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1080/10412905.1990.9697840
Camphor	2537	Click to see CC1(C2CCC1(C(=O)C2)C)C	152.23	unknown	https://doi.org/10.1055/S-2006-957433 https://doi.org/10.1055/S-2006-957814
Camphor (synthetic)	159055	Click to see CC1(C2CCC1(C(=O)C2)C)C	152.23	unknown	https://doi.org/10.1055/S-2006-957433
Pinocarveol	102667	Click to see CC1(C2CC1C(=C)C(C2)O)C	152.23	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
Sabinen	18818	Click to see CC(C)C12CCC(=C)C1C2	136.23	unknown	https://doi.org/10.1055/S-2006-957433 https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1080/10412905.1990.9697840 https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1055/S-2000-10685
Sabinene	10887971	Click to see CC(C)C12CCC(=C)C1C2	136.23	unknown	https://doi.org/10.1055/S-2006-957433
Thujone	261491	Click to see CC1C2CC2(CC1=O)C(C)C	152.23	unknown	https://doi.org/10.1055/S-2006-957433
trans-Borneol	44630107	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	https://doi.org/10.1055/S-2006-957433
trans-Verbenol	89664	Click to see CC1=CC(C2CC1C2(C)C)O	152.23	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
(+)-alpha-Terpineol	442501	Click to see CC1=CCC(CC1)C(C)(C)O	154.25	unknown	https://doi.org/10.1055/S-2006-957433
(+)-Terpinen-4-ol	2724161	Click to see CC1=CCC(CC1)(C(C)C)O	154.25	unknown	https://doi.org/10.1055/S-2006-957433
2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6S)-rel-	85567	Click to see CC1=CC(C(CC1)C(C)C)O	154.25	unknown	https://doi.org/10.1055/S-2006-957814
4-Terpineol, (+/-)-	11230	Click to see CC1=CCC(CC1)(C(C)C)O	154.25	unknown	https://doi.org/10.1055/S-2006-957433 https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1080/10412905.1990.9697840 https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1055/S-2000-10685
alpha-PHELLANDRENE	7460	Click to see CC1=CCC(C=C1)C(C)C	136.23	unknown	https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
alpha-Terpinene	7462	Click to see CC1=CC=C(CC1)C(C)C	136.23	unknown	https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1055/S-2000-10685
Alpha-Terpineol	17100	Click to see CC1=CCC(CC1)C(C)(C)O	154.25	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1080/10412905.1990.9697840 https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1055/S-2000-10685 https://doi.org/10.1055/S-2006-957433
alpha,alpha-Dimethyl-4-methylenecyclohexanemethanol	81722	Click to see CC(C)(C1CCC(=C)CC1)O	154.25	unknown	https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1055/S-2006-957433
Beta-Phellandrene	11142	Click to see CC(C)C1CCC(=C)C=C1	136.23	unknown	https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1080/10412905.1990.9697840
beta-Terpineol	8748	Click to see CC(=C)C1CCC(CC1)(C)O	154.25	unknown	https://doi.org/10.1055/S-2006-957814
Limonene, (+/-)-	22311	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1080/10412905.1990.9697840 https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1055/S-2000-10685 https://doi.org/10.1055/S-2006-957433
Menthol	1254	Click to see CC1CCC(C(C1)O)C(C)C	156.26	unknown	https://doi.org/10.1055/S-2006-957814
Piperitone	6987	Click to see CC1=CC(=O)C(CC1)C(C)C	152.23	unknown	https://doi.org/10.1055/S-2006-957814
Terpinolene	11463	Click to see CC1=CCC(=C(C)C)CC1	136.23	unknown	https://doi.org/10.1055/S-2006-957433 https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Monocyclic monoterpenoids
alpha-Campholenal	1252759	Click to see CC1=CCC(C1(C)C)CC=O	152.23	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(-)-alpha-Curcumene	442360	Click to see CC1=CC=C(C=C1)C(C)CCC=C(C)C	202.33	unknown	https://doi.org/10.1055/S-2006-957814
(-)-beta-Sesquiphellandrene	12315492	Click to see CC(CCC=C(C)C)C1CCC(=C)C=C1	204.35	unknown	https://doi.org/10.1055/S-2006-957433 https://doi.org/10.1055/S-2006-957814
(+)-Epi-alpha-bisabolol	1201551	Click to see CC1=CCC(CC1)C(C)(CCC=C(C)C)O	222.37	unknown	https://doi.org/10.1055/S-2006-957814
(+)-gamma-Cadinene	6432404	Click to see CC1=CC2C(CC1)C(=C)CCC2C(C)C	204.35	unknown	https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
(1R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol	5315594	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	https://doi.org/10.1055/S-2006-957814
(3R,6E)-nerolidol	11241545	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	https://doi.org/10.1055/S-2006-957433 https://doi.org/10.1055/S-2006-957814
(3S,6E)-Nerolidol	5281525	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	https://doi.org/10.1055/S-2006-957433
1-Ethenyl-1,2-dimethyl-4-propan-2-ylidene-2-prop-1-en-2-ylcyclohexane	5317024	Click to see CC(=C1CCC(C(C1)(C)C(=C)C)(C)C=C)C	218.38	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1080/10412905.1990.9697840
1-Methyl-4-(1,2,2-trimethylcyclopentyl)benzene	519346	Click to see CC1=CC=C(C=C1)C2(CCCC2(C)C)C	202.33	unknown	https://doi.org/10.1055/S-2006-957433 https://doi.org/10.1055/S-2006-957814
1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)-	23204	Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C	204.35	unknown	https://doi.org/10.1055/S-2006-957433
2-Isopropenyl-1-methyl-4-(1-methylethylidene)-1-vinylcyclohexane	6432312	Click to see CC(=C1CCC(C(C1)C(=C)C)(C)C=C)C	204.35	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene	5321277	Click to see CC(CCC=C(C)C)C1CCC(=C)C=C1	204.35	unknown	https://doi.org/10.1055/S-2006-957433 https://doi.org/10.1055/S-2006-957814
3-Cyclohexen-1-ol, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-	27208	Click to see CC1=CCC(CC1)(C(C)CCC=C(C)C)O	222.37	unknown	https://doi.org/10.1055/S-2006-957814
6-Epi-beta-bisabolol	12300148	Click to see CC1=CCC(CC1)(C(C)CCC=C(C)C)O	222.37	unknown	https://doi.org/10.1055/S-2006-957814
alpha-Curcumene	92139	Click to see CC1=CC=C(C=C1)C(C)CCC=C(C)C	202.33	unknown	https://doi.org/10.1055/S-2006-957814
beta Farnesene	15228937	Click to see CCC(=C)CCC=C(C)CCC=C(C)C	206.37	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1080/10412905.1990.9697840
beta-Bourbonene	62566	Click to see CC(C)C1CCC2(C1C3C2CCC3=C)C	204.35	unknown	https://doi.org/10.1080/10412905.1990.9697840
beta-CARYOPHYLLENE OXIDE	1742210	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	https://doi.org/10.1055/S-2006-957433 https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
beta-Farnesene	5281517	Click to see CC(=CCCC(=CCCC(=C)C=C)C)C	204.35	unknown	https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1055/S-2000-10685 https://doi.org/10.1002/RCM.1290091307
beta-Farnesene, (6Z)-	5317319	Click to see CC(=CCCC(=CCCC(=C)C=C)C)C	204.35	unknown	https://doi.org/10.1055/S-2006-957814
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4E,9R)-	26318	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	https://doi.org/10.1055/S-2006-957433
Caryophyllene	5281515	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1080/10412905.1990.9697840 https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1055/S-2000-10685 https://doi.org/10.1055/S-2006-957433
Caryophyllene epoxide	14350	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	https://doi.org/10.1055/S-2006-957433 https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
Caryophyllene,alpha + beta mixt.	5354499	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	https://doi.org/10.1002/RCM.1290091307
Cedrelanol	160799	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1080/10412905.1990.9697840 https://doi.org/10.1055/S-2006-957433 https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1055/S-2006-957814
Cuparene	86895	Click to see CC1=CC=C(C=C1)C2(CCCC2(C)C)C	202.33	unknown	https://doi.org/10.1055/S-2006-957433 https://doi.org/10.1055/S-2006-957814
delta-Cadinol	3084311	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	https://doi.org/10.1055/S-2006-957814
delta-Curcumene	57386731	Click to see CC1=CCC(C=C1)C(C)CCC=C(C)C	204.35	unknown	https://doi.org/10.1055/S-2006-957814
gamma-Cadinene	15094	Click to see CC1=CC2C(CC1)C(=C)CCC2C(C)C	204.35	unknown	https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1080/10412905.1990.9697840
gamma-Gurjunene	90805	Click to see CC1CCC(C=C2C1CCC2C)C(=C)C	204.35	unknown	https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
gamma-Muurolene	12313020	Click to see CC1=CC2C(CC1)C(=C)CCC2C(C)C	204.35	unknown	https://doi.org/10.1055/S-2006-957433 https://doi.org/10.1055/S-2006-957814
Humulene	5281520	Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C	204.35	unknown	https://doi.org/10.1055/S-2006-957433 https://doi.org/10.1055/S-2006-957814
Nerolidol	8888	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1055/S-2006-957433
T-Muurolol	3084331	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
Zingiberene	92776	Click to see CC1=CCC(C=C1)C(C)CCC=C(C)C	204.35	unknown	https://doi.org/10.1055/S-2006-957814
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
(1aR,4R,4aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulene-4,7-diol	44195284	Click to see CC1(C2C1C3C(CCC3(C)O)C(CC2)(C)O)C	238.37	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
(1aR,4R,4aR,7R,7aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulene-4,7-diol	162879929	Click to see CC1(C2C1C3C(CCC3(C)O)C(CC2)(C)O)C	238.37	unknown	https://doi.org/10.1248/CPB.59.392
(1aR,4R,4aR,7R,7aS,7bS)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol	91746597	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1055/S-2006-957433 https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1055/S-2006-957814
(1aR,4R,4aR,7S,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol	162940145	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	https://doi.org/10.1055/S-2006-957433
(1aR,4S,4aR,7S,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulene-4,7-diol	10776337	Click to see CC1(C2C1C3C(CCC3(C)O)C(CC2)(C)O)C	238.37	unknown	https://doi.org/10.1248/CPB.57.1132
(1aS,4aS,7S,7aR,7bS)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol	97032059	Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C	220.35	unknown	https://doi.org/10.1055/S-2006-957433 https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
(7aR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol	5321422	Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C	220.35	unknown	https://doi.org/10.1055/S-2006-957433 https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1080/10412905.1990.9697840 https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
Alloaromadendren	91746537	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1055/S-2006-957433 https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1055/S-2006-957814
alpha-Gurjunene	15560276	Click to see CC1CCC2C(C2(C)C)C3=C(CCC13)C	204.35	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1055/S-2006-957433 https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1055/S-2006-957814
Aromadendrane-4,10-diol	3411815	Click to see CC1(C2C1C3C(CCC3(C)O)C(CC2)(C)O)C	238.37	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/ https://doi.org/10.1248/CPB.57.1132
beta-Gurjunene	6450812	Click to see CC1CCC2C(C2(C)C)C3C1CCC3=C	204.35	unknown	https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1055/S-2006-957433
Globulol	101716	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1055/S-2006-957433 https://doi.org/10.1002/RCM.1290091307 https://doi.org/10.1055/S-2006-957814
Ledum camphor	22297324	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	https://doi.org/10.1055/S-2006-957433 https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1055/S-2000-10685
Viridiflorol	11996452	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	https://doi.org/10.1055/S-2006-957814
Viridiflorol (incomplete stereochemistry)	94174	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	https://doi.org/10.1055/S-2006-957814
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids
(S,1Z,6Z)-8-Isopropyl-1-methyl-5-methylenecyclodeca-1,6-diene	91723653	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	https://doi.org/10.1055/S-2000-10685
Germacrene B	5281519	Click to see CC1=CCCC(=CCC(=C(C)C)CC1)C	204.35	unknown	https://doi.org/10.1055/S-2006-957814 https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4 https://doi.org/10.1002/RCM.1290091307
Germacrene D	5317570	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	https://doi.org/10.1055/S-2000-10685
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides
[(1R)-4alpha-Hydroxy-4,8aalpha-dimethyl-6-isopropyl-1,2,3,4,4abeta,5,8,8a-octahydronaphthalene-1alpha-yl]beta-D-glucopyranoside	102523032	Click to see CC(C)C1=CCC2(C(CCC(C2C1)(C)O)OC3C(C(C(C(O3)CO)O)O)O)C	400.50	unknown	via CMAUP database
[(1R)-4alpha-Hydroxy-4,8aalpha-dimethyl-6-isopropyl-1,2,3,4,4abeta,7,8,8a-octahydronaphthalene-1alpha-yl]beta-D-glucopyranoside	102523031	Click to see CC(C)C1=CC2C(CC1)(C(CCC2(C)O)OC3C(C(C(C(O3)CO)O)O)O)C	400.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
(1R,4aR,7R,7aR)-7-hydroxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid	133556235	Click to see CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O	376.36	unknown	https://doi.org/10.1016/S0031-9422(03)00285-1
(1S,4aS,6S,7S,7aS)-1-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid	154496121	Click to see CC1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)OC(=O)C=CC5=CC=C(C=C5)O	684.60	unknown	https://doi.org/10.1016/S0031-9422(03)00285-1
(1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid	154497057	Click to see CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O	376.36	unknown	https://doi.org/10.1016/S0031-9422(03)00285-1
(1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid	162986330	Click to see CC(=CCO)CCC=C(C)C(=O)OCC1C(C(C(C(O1)OC2C3C(CCC3(C)O)C(=CO2)C(=O)O)O)O)O	542.60	unknown	https://doi.org/10.1016/S0031-9422(03)00285-1
(1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E,6S)-8-hydroxy-2,6-dimethyloct-2-enoyl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid	98789479	Click to see CC(CCC=C(C)C(=O)OCC1C(C(C(C(O1)OC2C3C(CCC3(C)O)C(=CO2)C(=O)O)O)O)O)CCO	544.60	unknown	https://doi.org/10.1016/S0031-9422(03)00285-1
(2S,3R,4S,5R,6R)-2-[[(1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol	12358434	Click to see C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O	346.33	unknown	https://doi.org/10.1016/S0031-9422(03)00285-1
(2S,3R,4S,5R,6R)-2-[[(1S,4aS,5R)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol	163194563	Click to see C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O	346.33	unknown	https://doi.org/10.1016/S0031-9422(03)00285-1
[4a,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-7-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate	162916671	Click to see C1=CC(=CC=C1C=CC(=O)OCC2=CC(C3(C2C(OC=C3)OC4C(C(C(C(O4)CO)O)O)O)O)O)O	508.50	unknown	https://doi.org/10.1055/S-2007-969589
[5-Hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate	3512643	Click to see C1=COC(C2C1C(C=C2COC(=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O	466.40	unknown	https://doi.org/10.1016/S0031-9422(03)00285-1 https://doi.org/10.1002/ARDP.19602930516
1-[6-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid	85407906	Click to see CC1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)OC(=O)C=CC5=CC=C(C=C5)O	684.60	unknown	https://doi.org/10.1016/S0031-9422(03)00285-1
2-[[5-Hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol	348157	Click to see C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O	346.33	unknown	https://doi.org/10.1016/S0031-9422(03)00285-1
6-Epi-8-O-acetylharpagide	494583	Click to see CC(=O)OC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)C	406.40	unknown	https://doi.org/10.1023/B:CONC.0000039150.86641.A1
6-Epiharpagide	4678529	Click to see CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O	364.34	unknown	https://doi.org/10.1023/B:CONC.0000039150.86641.A1
6'-O-p-Hydroxybenzoylmussaenosidic acid	23955877	Click to see CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)COC(=O)C4=CC=C(C=C4)O)O)O)O)O	496.50	unknown	https://doi.org/10.1016/S0031-9422(03)00285-1
7-Hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid	13878352	Click to see CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O	376.36	unknown	https://doi.org/10.1016/S0031-9422(03)00285-1
7-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid	74095091	Click to see CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)COC(=O)C4=CC=C(C=C4)O)O)O)O)O	496.50	unknown	https://doi.org/10.1016/S0031-9422(03)00285-1
7-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-[(8-hydroxy-2,6-dimethyloct-2-enoyl)oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid	75614533	Click to see CC(CCC=C(C)C(=O)OCC1C(C(C(C(O1)OC2C3C(CCC3(C)O)C(=CO2)C(=O)O)O)O)O)CCO	544.60	unknown	https://doi.org/10.1016/S0031-9422(03)00285-1
7-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-[(8-hydroxy-2,6-dimethylocta-2,6-dienoyl)oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid	85403902	Click to see CC(=CCO)CCC=C(C)C(=O)OCC1C(C(C(C(O1)OC2C3C(CCC3(C)O)C(=CO2)C(=O)O)O)O)O	542.60	unknown	https://doi.org/10.1016/S0031-9422(03)00285-1
8-O-Acetylharpagide	9978650	Click to see CC(=O)OC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)C	406.40	unknown	https://doi.org/10.1023/B:CONC.0000039150.86641.A1
Agnucastoside C	101260814	Click to see CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)OC(=O)C=CC5=CC=C(C=C5)O	684.60	unknown	https://doi.org/10.1016/S0031-9422(03)00285-1
Agnuside	442416	Click to see C1=COC(C2C1C(C=C2COC(=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O	466.40	unknown	https://doi.org/10.1016/S0031-9422(03)00285-1 https://doi.org/10.1055/S-2007-969589 https://doi.org/10.1002/ARDP.19602930516
Aucubin	91458	Click to see C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O	346.33	unknown	https://doi.org/10.1080/14786410701592612 https://doi.org/10.1016/S0031-9422(03)00285-1 https://doi.org/10.1055/S-2007-969589
Harpagide	93045	Click to see CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O	364.34	unknown	https://doi.org/10.1023/B:CONC.0000039150.86641.A1
Mussaenosidic acid	21633105	Click to see CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O	376.36	unknown	https://doi.org/10.1016/S0031-9422(03)00285-1
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Diterpene lactones
[(1R,3R,4R,4aS,8aS)-4-hydroxy-4-[2-[(2R)-2-hydroxy-5-oxo-2H-furan-3-yl]ethyl]-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate	162868302	Click to see CC1CC(C2C(CCCC2(C1(CCC3=CC(=O)OC3O)O)C)(C)C)OC(=O)C	394.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
[(1S,3S,4S,4aR,8aR)-4-hydroxy-4-[2-[(2R)-2-methoxy-5-oxo-2H-furan-3-yl]ethyl]-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate	162965056	Click to see CC1CC(C2C(CCCC2(C1(CCC3=CC(=O)OC3OC)O)C)(C)C)OC(=O)C	408.50	unknown	https://doi.org/10.1248/CPB.57.1132
[4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate	20598215	Click to see CC1CC(C2C(CCCC2(C1(CCC3=CC(=O)OC3)O)C)(C)C)OC(=O)C	378.50	unknown	https://doi.org/10.1016/S0031-9422(99)00181-8 https://doi.org/10.1248/CPB.59.392
[4-hydroxy-4-[2-(2-methoxy-5-oxo-2H-furan-3-yl)ethyl]-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate	75031673	Click to see CC1CC(C2C(CCCC2(C1(CCC3=CC(=O)OC3OC)O)C)(C)C)OC(=O)C	408.50	unknown	https://doi.org/10.1248/CPB.57.1132
CID 101077823	101077823	Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(=O)OC4OC)C)(C)C)OC(=O)C	408.50	unknown	https://doi.org/10.1248/CPB.59.392
CID 101077824	101077824	Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(=O)OC4OC)C)(C)C)OC(=O)C	408.50	unknown	https://doi.org/10.1248/CPB.59.392
CID 162919964	162919964	Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(OC4=O)OC)C)(C)C)OC(=O)C	408.50	unknown	https://doi.org/10.1248/CPB.59.392
CID 162919965	162919965	Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(OC4=O)OC)C)(C)C)OC(=O)C	408.50	unknown	https://doi.org/10.1248/CPB.59.392 https://doi.org/10.1248/CPB.56.1621
CID 162974462	162974462	Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(=O)OC4OC)C)(C)C)OC(=O)C	408.50	unknown	https://doi.org/10.1248/CPB.59.392
CID 163190142	163190142	Click to see CCCCOC1C2(CCC3(O2)C(CC(C4C3(CCCC4(C)C)C)OC(=O)C)C)CC(=O)O1	450.60	unknown	https://doi.org/10.1248/CPB.56.1621
CID 51040814	51040814	Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(=O)OC4OC)C)(C)C)OC(=O)C	408.50	unknown	https://doi.org/10.1248/CPB.59.392
CID 74390819	74390819	Click to see CCCCOC1C2(CCC3(O2)C(CC(C4C3(CCCC4(C)C)C)OC(=O)C)C)CC(=O)O1	450.60	unknown	https://doi.org/10.1248/CPB.56.1621
CID 75604483	75604483	Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(=O)OC4OC)C)(C)C)OC(=O)C	408.50	unknown	https://doi.org/10.1248/CPB.59.392
CID 85208587	85208587	Click to see CC1CC(C2C(CCCC2(C13CCC4(O3)CC(OC4=O)OC)C)(C)C)OC(=O)C	408.50	unknown	https://doi.org/10.1248/CPB.59.392 https://doi.org/10.1248/CPB.56.1621
Viteagnusin I	73349491	Click to see CC1CC(C2C(CCCC2(C1(CCC3=CC(=O)OC3O)O)C)(C)C)OC(=O)C	394.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
Vitexilactone	21636178	Click to see CC1CC(C2C(CCCC2(C1(CCC3=CC(=O)OC3)O)C)(C)C)OC(=O)C	378.50	unknown	https://doi.org/10.1002/PTR.2021 https://doi.org/10.1016/S0944-7113(00)80058-6 https://doi.org/10.1055/S-2000-8535 https://doi.org/10.1016/S0031-9422(99)00181-8 https://doi.org/10.1248/CPB.59.392
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Eudesmanolides, secoeudesmanolides, and derivatives
Artemisin	65030	Click to see CC1C2C(CC3(C=CC(=O)C(=C3C2OC1=O)C)C)O	262.30	unknown	https://doi.org/10.1016/J.MATURITAS.2006.06.014
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid	15917996	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O	472.70	unknown	https://doi.org/10.1248/CPB.59.392 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
(3R,4aS,6aR,10aS,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene	162989717	Click to see CC1(CCCC2(C1CCC3(C2CCC(O3)(C)C=C)C)C)C	290.50	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
2,3-Dihydroxyolean-12-en-28-oic acid	3694932	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C	472.70	unknown	https://doi.org/10.1248/CPB.59.392 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
3-Epicorosolic acid	15917998	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O	472.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/ https://doi.org/10.1248/CPB.59.392
3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene	518574	Click to see CC1(CCCC2(C1CCC3(C2CCC(O3)(C)C=C)C)C)C	290.50	unknown	https://doi.org/10.1002/RCM.1290091307
Corosolic acid	6918774	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O	472.70	unknown	https://doi.org/10.1248/CPB.59.392
epi-Maslinic acid	25564831	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C	472.70	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/ https://doi.org/10.1248/CPB.59.392
Epifriedelanol	119242	Click to see CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O	428.70	unknown	via CMAUP database
Friedelin	91472	Click to see CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C	426.70	unknown	via CMAUP database
Labd-14-ene, 8,13-epoxy-, (13S)-	6432025	Click to see CC1(CCCC2(C1CCC3(C2CCC(O3)(C)C=C)C)C)C	290.50	unknown	https://doi.org/10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
Maslinic Acid	73659	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C	472.70	unknown	https://doi.org/10.1248/CPB.59.392
Squalene	638072	Click to see CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C	410.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Androstane steroids / Androgens and derivatives
Androstenedione	6128	Click to see CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C	286.40	unknown	https://doi.org/10.1055/S-2006-961123
Epitestosterone	10204	Click to see CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C	288.40	unknown	https://doi.org/10.1055/S-2006-961123
Testosterone	6013	Click to see CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C	288.40	unknown	https://doi.org/10.1055/S-2006-961123
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives
2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6-trihydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one	271605	Click to see CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O	480.60	unknown	https://doi.org/10.1023/B:CONC.0000039150.86641.A1
22-epi-20-Hydroxyecdysone	10767085	Click to see CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O	480.60	unknown	https://doi.org/10.1023/B:CONC.0000039150.86641.A1
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives / Pentahydroxy bile acids, alcohols and derivatives
[5,6-dihydroxy-2-methyl-6-(2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)heptan-2-yl] acetate	538673	Click to see CC(=O)OC(C)(C)CCC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O)O	522.70	unknown	https://doi.org/10.1023/B:CONC.0000039150.86641.A1
Viticosterone E	11226211	Click to see CC(=O)OC(C)(C)CCC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O)O	522.70	unknown	https://doi.org/10.1002/CBDV.200890067 https://doi.org/10.1023/B:CONC.0000039150.86641.A1
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Estrane steroids / Estrogens and derivatives
Ethinyl Estradiol	5991	Click to see CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O	296.40	unknown	https://doi.org/10.1080/10412905.1990.9697840
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Pregnane steroids / Gluco/mineralocorticoids, progestogins and derivatives
Hydroxyprogesterone	6238	Click to see CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O	330.50	unknown	https://doi.org/10.1055/S-2006-961123
Progesterone	5994	Click to see CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C	314.50	unknown	https://doi.org/10.1055/S-2006-961123
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
3-Octyl acetate	521238	Click to see CCCCCC(CC)OC(=O)C	172.26	unknown	https://doi.org/10.1055/S-2006-957814
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
[(1S,2R,3S,4R)-1-acetyloxy-4-[(3S)-3-hydroxy-3-methylpent-4-enyl]-3,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalen-2-yl] acetate	38363004	Click to see CC1C(C(C2=C(C1(C)CCC(C)(C=C)O)CCCC2(C)C)OC(=O)C)OC(=O)C	406.60	unknown	https://doi.org/10.1248/CPB.59.392
[1-Acetyloxy-4-(3-hydroxy-3-methylpent-4-enyl)-3,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalen-2-yl] acetate	23757094	Click to see CC1C(C(C2=C(C1(C)CCC(C)(C=C)O)CCCC2(C)C)OC(=O)C)OC(=O)C	406.60	unknown	https://doi.org/10.1248/CPB.59.392
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
[(1S,3S,4S,4aR,8aR)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-1,2-dihydropyrrol-4-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate	163014727	Click to see CC1CC(C2C(CCCC2(C1(CCC3=CCNC3=O)O)C)(C)C)OC(=O)C	377.50	unknown	https://doi.org/10.1016/S0040-4039(02)00981-4
[(2S,4aR,5R,6R)-5-[(3R)-3-hydroxy-3-methylpent-4-enyl]-1,1,5,6-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-2-yl] acetate	162925793	Click to see CC1CC=C2C(C1(C)CCC(C)(C=C)O)CCC(C2(C)C)OC(=O)C	348.50	unknown	https://doi.org/10.1248/CPB.56.1621
[(2S,4aR,5R,6R)-5-[(3S)-3-hydroxy-3-methylpent-4-enyl]-1,1,5,6-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-2-yl] acetate	162925794	Click to see CC1CC=C2C(C1(C)CCC(C)(C=C)O)CCC(C2(C)C)OC(=O)C	348.50	unknown	https://doi.org/10.1248/CPB.56.1621
[(2S,5R,6R)-5-[(3S)-3-hydroxy-3-methylpent-4-enyl]-1,1,5,6-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-2-yl] acetate	162944862	Click to see CC1CCC2=C(C1(C)CCC(C)(C=C)O)CCC(C2(C)C)OC(=O)C	348.50	unknown	https://doi.org/10.1248/CPB.56.1621
[5-(3-Hydroxy-3-methylpent-4-enyl)-1,1,5,6-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-2-yl] acetate	74390710	Click to see CC1CC=C2C(C1(C)CCC(C)(C=C)O)CCC(C2(C)C)OC(=O)C	348.50	unknown	https://doi.org/10.1248/CPB.56.1621
[5-(3-Hydroxy-3-methylpent-4-enyl)-1,1,5,6-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-2-yl] acetate	74390818	Click to see CC1CCC2=C(C1(C)CCC(C)(C=C)O)CCC(C2(C)C)OC(=O)C	348.50	unknown	https://doi.org/10.1248/CPB.56.1621
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
(3',3'a-dihydroxy-2'-methoxy-3,4a,8,8-tetramethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,6'-3,4,5,7a-tetrahydro-2H-furo[2,3-b]pyran]-1-yl) acetate	75031601	Click to see CC1CC(C2C(CCCC2(C13CCC4(C(C(OC4O3)OC)O)O)C)(C)C)OC(=O)C	426.50	unknown	https://doi.org/10.1248/CPB.57.1132
[(1S,2'R,3S,3'R,3'aS,4S,4aR,7'aS,8aR)-3',3'a-dihydroxy-2'-methoxy-3,4a,8,8-tetramethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,6'-3,4,5,7a-tetrahydro-2H-furo[2,3-b]pyran]-1-yl] acetate	162849440	Click to see CC1CC(C2C(CCCC2(C13CCC4(C(C(OC4O3)OC)O)O)C)(C)C)OC(=O)C	426.50	unknown	https://doi.org/10.1248/CPB.57.1132
[(1S,2'S,3S,3'R,3'aS,4S,4aR,7'aR,8aR)-3',3'a-dihydroxy-2'-methoxy-3,4a,8,8-tetramethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,6'-3,4,5,7a-tetrahydro-2H-furo[2,3-b]pyran]-1-yl] acetate	162849439	Click to see CC1CC(C2C(CCCC2(C13CCC4(C(C(OC4O3)OC)O)O)C)(C)C)OC(=O)C	426.50	unknown	https://doi.org/10.1248/CPB.57.1132
Phenylethyl beta-D-glucopyranoside	11289099	Click to see C1=CC=C(C=C1)CCOC2C(C(C(C(O2)CO)O)O)O	284.30	unknown	via CMAUP database
Vitcagnusin F	44475041	Click to see CC1CC(C2C(CCCC2(C13CCC4(C(C(OC4O3)OC)O)O)C)(C)C)OC(=O)C	426.50	unknown	https://doi.org/10.1248/CPB.57.1132
Vitcagnusin G	44475044	Click to see CC1CC(C2C(CCCC2(C13CCC4(C(C(OC4O3)OC)O)O)C)(C)C)OC(=O)C	426.50	unknown	https://doi.org/10.1248/CPB.57.1132
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
2-Butanone, 4-(3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl)-	181027	Click to see CC(=O)CCC1=CC(=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O	342.34	unknown	https://doi.org/10.1016/S0031-9422(03)00285-1
4-[4-hydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one	101260815	Click to see CC(=O)CCC1=CC(=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O	342.34	unknown	https://doi.org/10.1016/S0031-9422(03)00285-1
Eugenyl glucoside	3084296	Click to see COC1=C(C=CC(=C1)CC=C)OC2C(C(C(C(O2)CO)O)O)O	326.34	unknown	via CMAUP database
Myzodendrone	22376358	Click to see CC(=O)CCC1=CC(=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O	342.34	unknown	https://doi.org/10.1016/S0031-9422(03)00285-1
> Organic oxygen compounds / Organooxygen compounds / Ethers / Dialkyl ethers
2-Butoxyethanol	8133	Click to see CCCCOCCO	118.17	unknown	https://doi.org/10.1055/S-2006-957814
> Organoheterocyclic compounds / Benzofurans
Benzofuran	9223	Click to see C1=CC=C2C(=C1)C=CO2	118.13	unknown	https://doi.org/10.1002/RCM.1290091307
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / 2,2-dimethyl-1-benzopyrans
1-(2,2-Dimethylchromen-6-yl)ethanone	177040	Click to see CC(=O)C1=CC2=C(C=C1)OC(C=C2)(C)C	202.25	unknown	https://doi.org/10.1055/S-2006-957814
> Organoheterocyclic compounds / Dioxanes / 1,2-dioxanes
Ascaridole	10545	Click to see CC(C)C12CCC(C=C1)(OO2)C	168.23	unknown	https://doi.org/10.1080/10412905.1990.9697840
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
(4aR,7S,8S,8aR)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one	163011048	Click to see CC1CCC2C(CCCC2(C13CCC(=O)O3)C)(C)C	264.40	unknown	https://doi.org/10.1248/CPB.57.1132
4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one	15559823	Click to see CC1CCC2C(CCCC2(C13CCC(=O)O3)C)(C)C	264.40	unknown	https://doi.org/10.1248/CPB.57.1132
Isoambreinolide	15559824	Click to see CC1CCC2C(CCCC2(C13CCC(=O)O3)C)(C)C	264.40	unknown	https://doi.org/10.1248/CPB.57.1132
> Organoheterocyclic compounds / Pyrrolines
[4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-1,2-dihydropyrrol-4-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate	73801540	Click to see CC1CC(C2C(CCCC2(C1(CCC3=CCNC3=O)O)C)(C)C)OC(=O)C	377.50	unknown	https://doi.org/10.1016/S0040-4039(02)00981-4
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
(+)-Balanophonin	23252258	Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=CC=O	356.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
(+/-)-Balanophonin	72729357	Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=CC=O	356.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
(2S,3R)-2-(4-Hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-carbaldehyde	71591633	Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=O	330.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
4-[3-(Hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydrobenzofuran-2-yl]-2-methoxy-phenol	4365980	Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CCCO	360.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
Dihydrodehydrodiconiferyl alcohol	384679	Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CCCO	360.40	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoic acid	709	Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O	194.18	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
4-Hydroxycinnamic acid	322	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
Ferulic acid	445858	Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O	194.18	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
p-Coumaric acid	637542	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
> Phenylpropanoids and polyketides / Coumarins and derivatives / Furanocoumarins / Psoralens / 8-methoxypsoralens
Isopimpinellin	68079	Click to see COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC	246.21	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
Naringenin	439246	Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O	272.25	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones
Apigenin	5280443	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O	270.24	unknown	https://doi.org/10.1016/J.MATURITAS.2006.06.014 https://doi.org/10.1055/S-2003-45105 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
Luteolin	5280445	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O	286.24	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/ https://doi.org/10.1016/S0031-9422(97)00127-1
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Isorhamnetin	5281654	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O	316.26	unknown	https://doi.org/10.1016/S0031-9422(97)00127-1
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://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides
[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	10531795	Click to see C1=CC(=C(C=C1C=CC(=O)OC2C(C(C(OC2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O	610.50	unknown	https://doi.org/10.1016/S0031-9422(97)00127-1
[2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate	74977569	Click to see C1=CC(=C(C=C1C=CC(=O)OC2C(C(C(OC2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O	610.50	unknown	https://doi.org/10.1016/S0031-9422(97)00127-1
[6-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate	162876026	Click to see C1=CC(=C(C=C1C=CC(=O)OCC2C(C(C(C(O2)C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O	610.50	unknown	https://doi.org/10.1016/S0031-9422(97)00127-1
[6-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-4,5-dihydroxy-3-methoxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate	85237238	Click to see COC1C(OC(C(C1O)O)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)COC(=O)C=CC5=CC(=C(C=C5)O)O	624.50	unknown	https://doi.org/10.1016/S0031-9422(97)00127-1
6-[4-O-Methyl-6-O-(3,4-dihydroxy-trans-cinnamoyl)-beta-D-glucopyranosyl]-3',4',5,7-tetrahydroxyflavone	10699139	Click to see COC1C(OC(C(C1O)O)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)COC(=O)C=CC5=CC(=C(C=C5)O)O	624.50	unknown	https://doi.org/10.1016/S0031-9422(97)00127-1
Isoorientin	114776	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O)O	448.40	unknown	https://doi.org/10.1016/J.MATURITAS.2006.06.014
Isoorientin 6''-caffeate	101687176	Click to see C1=CC(=C(C=C1C=CC(=O)OCC2C(C(C(C(O2)C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O	610.50	unknown	https://doi.org/10.1016/S0031-9422(97)00127-1
Isovitexin	162350	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O	432.40	unknown	https://doi.org/10.1016/J.MATURITAS.2006.06.014
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
Orientin	5281675	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O	448.40	unknown	https://doi.org/10.1080/14786410701592612
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-7-O-glucuronides
Apigenin 7-glucuronide	5319484	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O	446.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
Isoquercetin	5280804	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	via CMAUP database
isorhamnetin 3-O-glucoside	5318645	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O	478.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate	12305633	Click to see C1=CC(=CC=C1C(=O)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)O)O)O	568.50	unknown	https://doi.org/10.1016/S0031-9422(97)00127-1
[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl benzoate	163067452	Click to see C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)O)O	552.50	unknown	https://doi.org/10.1016/S0031-9422(97)00127-1
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	13093776	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O	448.40	unknown	https://doi.org/10.1007/BF02138262
7-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one	85111821	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O	756.70	unknown	https://doi.org/10.1016/S0031-9422(03)00285-1 https://doi.org/10.1055/S-2007-969589
Apigetrin	5280704	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O	432.40	unknown	via CMAUP database
Luteolin 7-galactoside	5291488	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O	448.40	unknown	https://doi.org/10.1007/BF02138262
Neobignonoside	12305632	Click to see C1=CC(=CC=C1C(=O)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)O)O)O	568.50	unknown	https://doi.org/10.1016/S0031-9422(97)00127-1
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids
3-Methoxyluteolin	5280681	Click to see COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O	316.26	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
Isokaempferide	5280862	Click to see COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O	300.26	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
2-(3,4-Dihydroxyphenyl)-3,5,6,7-tetramethoxychromen-4-one	14376233	Click to see COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)OC)OC	374.30	unknown	https://doi.org/10.1016/S0031-9422(97)00127-1
3,7-Di-O-methylquercetin	5280417	Click to see COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O	330.29	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
3',5,5'-Trihydroxy-7-methoxyflavanone	11289628	Click to see COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC(=CC(=C3)O)O)O	302.28	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/
4'-Hydroxy-3,5,6,7,3'-pentamethoxyflavone	14376231	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC)O	388.40	unknown	https://doi.org/10.1016/S0031-9422(97)00127-1
5-Hydroxy-3,6,7,4'-tetramethoxyflavone	5318355	Click to see COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC	358.30	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3428908/ https://doi.org/10.1248/CPB.57.1132
Artemetin	5320351	Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC	388.40	unknown	https://doi.org/10.1002/PTR.2639 https://doi.org/10.1016/S0031-9422(97)00127-1
Casticin	5315263	Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O	374.30	unknown	https://doi.org/10.1002/PTR.2492 https://doi.org/10.1248/CPB.59.392 https://doi.org/10.1076/PHBI.39.1.57.5950 https://doi.org/10.1016/J.MATURITAS.2006.06.014 https://doi.org/10.1002/PTR.2639 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/ https://doi.org/10.1016/S0944-7113(00)80058-6
chrysoplenol D	5280699	Click to see COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O)OC	360.30	unknown	https://doi.org/10.1016/S0031-9422(99)00181-8
Chrysosplenetin	5281608	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O	374.30	unknown	https://doi.org/10.1016/S0031-9422(97)00127-1
Eupatorin	97214	Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O	344.30	unknown	https://doi.org/10.1016/J.MATURITAS.2006.06.014
Penduletin	5320462	Click to see COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)OC	344.30	unknown	https://doi.org/10.1016/J.MATURITAS.2006.06.014 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3081944/ https://doi.org/10.1002/PTR.2639

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Vitex agnus-castus

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