Content in this section summarizes historical and cultural records. It is not medical advice.
Do not use plants for self-treatment. Safety, efficacy, and appropriate use are not established here.
Plant identification errors, allergies, and interactions can cause harm. Consult qualified professionals for health questions.
Local legality and regulatory status may vary; verify before collecting, processing, or selling plant materials.

Traditional uses of Vitex negundo are well recorded across several cultural traditions. In Ayurvedic practice in Rajasthan, India, the dried leaves are boiled to make a decoction that is drunk to relieve fever, cough, and sore throat (Sharma et al., 2018). In China, the leaves and twigs are used in a decoction or infusion to treat dysentery, abdominal pain, and to promote lactation, a practice documented in the *Shen Nong Ben Cao Jing* and cited in Li and Wang (2015). Among the Yoruba of southwestern Nigeria, a tea made from fresh leaves is taken to reduce menstrual cramps and to treat urinary tract infections; this use is described in Okoro et al. (2019). In all three traditions the plant part used is the leaf, and the preparation is typically an infusion or decoction, sometimes combined with other herbs.

A simple, safe recipe for a mild leaf tea is as follows: take 5 g of dried Vitex negundo leaves, place them in a cup, pour 250 ml of freshly boiled water, cover, and steep for 10 minutes. Strain the liquid and drink warm. This yields a lightly bitter, aromatic tea that can be consumed up to three cups per day. Pregnant women and individuals with liver disease should avoid this tea, and it is advisable to consult a healthcare professional before regular use.

The therapeutic effects of Vitex negundo are supported by several well‑established phytochemicals. Flavonoids such as luteolin and quercetin are abundant in the leaves and are known for their anti‑inflammatory and antioxidant properties. Iridoids, particularly nepetin, contribute to the plant’s antipyretic and antimicrobial activities. Lignans like negundin and triterpenoids such as betulinic acid have been isolated from the bark and leaves and are associated with anti‑diabetic and anti‑viral effects. These constituents provide a plausible chemical basis for the traditional uses described above.

Modern research continues to validate many of these traditional claims. Recent in‑vitro studies have shown that Vitex negundo extracts inhibit inflammatory cytokine production and reduce oxidative stress in cultured cells. Clinical trials in India have reported significant reductions in fasting blood glucose levels in patients with type 2 diabetes after daily consumption of a standardized leaf decoction. Commercially, the plant is available as a dried leaf tea blend in herbal markets in India and China, and it remains a staple remedy in rural communities where it is still harvested and prepared by hand.

General Uses Top

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Synonyms Top

Scientific name	Authority	First published in
Vitex leucoxylon	Blanco	Fl. Filip. : 516 (1837)
Vitex negundo var. incisa	(Lam.) C.B.Clarke	Fl. Brit. India 4: 584. 1885
Vitex simplicifolia	B.N.Lin & S.W.Wang	Guihaia 14: 209 (1994)
Vitex negundo f. intermedia	C.P'ei	Mem. Sci. Soc. China 1: 105 1932
Vitex negundo var. intermedia	(C.P'ei) Moldenke	Revista Sudamer. Bot. 5: 2 1937
Vitex agnus-castus var. negundo	(L.) Kuntze	Revis. Gen. Pl. 2: 511. 1891
Vitex agnus-castus var. negundoides	Kuntze	Revis. Gen. Pl. 2: 511. 1891
Vitex negundo var. macrophylla	Moldenke	Amer. Midl. Naturalist 24: 753. 1940
Vitex negundo f. alba	C.P'ei	Mem. Sci. Soc. China 1(3): 104 1932
Vitex negundo f. laxipaniculata	C.P'ei	Mem. Sci. Soc. China 1(3): 104 1932
Vitex negundo var. sessilis	Moldenke	Amer. Midl. Naturalist 24: 754. 1940
Agnus-castus negundo	Carrière	Rev. Hort. (Paris) 42: 415 (1870 publ. 1871)

Common names Top

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Filter by language:

Language	Common/alternative name
English	chinese chaste-tree
English	chinese chastetree
Assamese	পচতীয়া
Bengali	নিসিন্দা
Bengali	নিশিন্দা
Czech	drmek čínský
Estonian	viietine mungapipar
Persian	پنج انگشت چینی
French	troène de chine
gom	लिंगड
Hindi	वीटेक्स नेगुंडो
Hungarian	kínai barátcserje
Armenian	Կուսածառ չինական
Indonesian	sidondo
Indonesian	legundi
Kannada	ಲಕ್ಕಿ ಗಿಡ
Korean	좀목형
Malayalam	കരിനൊച്ചി
Marathi	निर्गुडी
Marathi	निर्गुंडी
Malay	pokok lemuni kuning
Malay	pokok lagundi
Burmese	ကြောင်ပန်းကြီး
Nepali	सिमाली
sa	निर्गुण्डिसस्यम्
sat	ᱥᱤᱸᱫᱽᱣᱟᱹᱨᱤ
Tamil	வெண்ணொச்சி
tcy	ನೆಕ್ಕಿದ ಮರ
Telugu	నీరువావిలి
Telugu	వావిలి
Thai	คนทีเขมา
Tonga	lala
Chinese	埔荊茶
Chinese	牡荆油
Chinese	五指柑
Chinese	五指风
Chinese	埔姜仔
Chinese	荆条
Chinese	牡荆叶
Chinese	黃荆
Chinese	黃荊
Chinese	黄荆
Chinese	黄荆（牡荆)
Chinese	黄荆叶
Chinese	黄荆子
Chinese	黄荆枝
Chinese	黄荆根
Chinese	黄荆沥

Subspecies (abbr. subsp./ssp.) Top

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Varieties (abbr. var.) Top

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Name	Authority	First published in
Vitex negundo var. negundo		Unknown
Vitex negundo var. thyrsoides	C.Pei & S.L.Liou	Fl. Reipubl. Popularis Sin. 65(1): 212 (1982)

Subvarieties (abbr. subvar.) Top

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Forms (abbr. f.) Top

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Germination/Propagation Top

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Distribution (via POWO/KEW) Top

Legend for the distribution data:

- Doubtful data

- Extinct

- Introduced

- Native

Africa click to expand
- East Tropical Africa
  - Tanzania
- Northeast Tropical Africa
  - Somalia
- South Tropical Africa
  - Mozambique
- Western Indian Ocean
  - Madagascar
  - Mauritius

Asia-temperate click to expand
- China
  - China North-central
  - China South-central
  - China Southeast
  - Hainan
  - Inner Mongolia
  - Qinghai
  - Tibet
- Eastern Asia
  - Japan
  - Korea
  - Taiwan
- Western Asia
  - Afghanistan
  - Iran

Asia-tropical click to expand
- Indian Subcontinent
  - Assam
  - Bangladesh
  - East Himalaya
  - India
  - Laccadive Islands
  - Maldives
  - Nepal
  - Pakistan
  - Sri Lanka
  - West Himalaya
- Indo-China
  - Andaman Islands
  - Cambodia
  - Myanmar
  - Nicobar Nicobar
  - Thailand
  - Vietnam
- Malesia
  - Jawa
  - Philippines
  - Sumatera

Europe click to expand
- Southeastern Europe
  - Bulgaria

Northern America click to expand
- South-central U.S.A.
  - Texas
- Southeastern U.S.A.
  - Alabama
  - Florida

Pacific click to expand
- Northwestern Pacific
  - Marianas

Southern America click to expand
- Caribbean
  - Cuba
  - Haiti
  - Leeward Islands
  - Trinidad-Tobago
  - Windward Islands

Links to other databases Top

Suggest others/fix!

Database	ID/link to page
World Flora Online	wfo-0000333303
UNII	C92PGK11XB
Florida Plant Atlas	1485
Flora of Alabama	5384
USDA Plants	VINE2
Tropicos	33700563
INPN	630886
KEW	urn:lsid:ipni.org:names:865894-1
The Plant List	kew-213651
Missouri Botanical Garden	287460
Open Tree Of Life	614659
NCBI Taxonomy	361442
Nature Serve	2.147222
IUCN Red List	145823627
IPNI	865894-1
iNaturalist	170273
GBIF	2925564
Freebase	/m/03gqpnj
EPPO	VIXNE
EOL	579729
USDA GRIN	41831
Wikipedia	Vitex_negundo
CMAUP	NPO14602

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

Efficacy and Safety of Kuoxin Formula in the Treatment of Dilated Cardiomyopathy-Related Heart Failure: Study Protocol of a Randomized, Double-Blind, Placebo-Controlled, Multi-Center Clinical Trial

Wu Q, An S, Lee R, Gao D, Zhou Y, Peng L, Hu C, Yao L, Zhou C, Zhou L, Gao J, Cao M, Mao M, Li G, Deng B, Xu Y, Wang Y

Int J Gen Med

06-May-2024

PMCID:	PMC11086434
doi:	10.2147/IJGM.S461765
PMID:	38736671

Unleashing the promise of emerging nanomaterials as a sustainable platform to mitigate antimicrobial resistance

Rahman S, Sadaf S, Hoque ME, Mishra A, Mubarak NM, Malafaia G, Singh J

RSC Adv

01-May-2024

PMCID:	PMC11062400
doi:	10.1039/d3ra05816f
PMID:	38694553

Mitigation of letrozole induced polycystic ovarian syndrome associated inflammatory response and endocrinal dysfunction by Vitex negundo seeds

Kar TK, Sil S, Ghosh A, Barman A, Chattopadhyay S

J Ovarian Res

08-Apr-2024

PMCID:	PMC11000293
doi:	10.1186/s13048-024-01378-4
PMID:	38589892

Dissimilarity in radial growth and response to drought of Korshinsk peashrub (Caragana korshinskii Kom.) under different management practices in the western Loess Plateau

Che C, Zhang M, Yang W, Wang S, Zhang Y, Liu L

Front Plant Sci

08-Apr-2024

PMCID:	PMC11033483
doi:	10.3389/fpls.2024.1357472
PMID:	38650699

Climate and soil stressed elevation patterns of plant species to determine the aboveground biomass distributions in a valley-type Savanna

He G, Shi Z, Fang H, Shi L, Wang Y, Yang H, Yan B, Yang C, Yu J, Liang Q, Zhao L, Jiang Q

Front Plant Sci

27-Mar-2024

PMCID:	PMC11004315
doi:	10.3389/fpls.2024.1324841
PMID:	38601315

Vegetation–edaphic correlation and importance value index in himalayan ‘ecotone’ temperate conifer forest using the multivariate technique

Ali F, Zeb M, Amin M, Rajpar MN, Hidayat S, Khan WR

Saudi J Biol Sci

24-Mar-2024

PMCID:	PMC11000104
doi:	10.1016/j.sjbs.2024.103983
PMID:	38590389

A comprehensive review of ethnomedicinal approaches, phytochemical analysis, and pharmacological potential of Vitex trifolia L.

Mottaghipisheh J, Kamali M, Doustimotlagh AH, Nowroozzadeh MH, Rasekh F, Hashempur MH, Iraji A

Front Pharmacol

21-Mar-2024

PMCID:	PMC10991721
doi:	10.3389/fphar.2024.1322083
PMID:	38576489

The dynamics of nocturnal sap flow components of a typical revegetation shrub species on the semiarid Loess Plateau, China

Fang W, Liu J, Lu N, Li R

Front Plant Sci

21-Mar-2024

PMCID:	PMC10991760
doi:	10.3389/fpls.2024.1370362
PMID:	38576789

Chemical profiling of bioactive compounds in the methanolic extract of wild leaf and callus of Vitex negundo using gas chromatography-mass spectrometry

Garg G, Bharadwaj A, Chaudhary S, Gupta V

World J Exp Med

20-Mar-2024

PMCID:	PMC10999060
doi:	10.5493/wjem.v14.i1.88064
PMID:	38590309

Reducing the Risk of Pre-Eclampsia in Women with Polycystic Ovary Syndrome Using a Combination of Pregnancy Screening, Lifestyle, and Medical Management Strategies

Parker J, O’Brien C, Yeoh C, Gersh FL, Brennecke S

J Clin Med

20-Mar-2024

PMCID:	PMC10971491
doi:	10.3390/jcm13061774
PMID:	38541997

Correction to “Mating strategies of Vitex negundo L. var. heterophylla (Franch.) Rehder (Lamiaceae): A mixed mating system with inbreeding depression”

N/A

Ecol Evol

17-Mar-2024

PMCID:	PMC10945035
doi:	10.1002/ece3.11165
PMID:	38500860

Soil carbon emissions and influential factors across various stages of vegetation succession in vegetated concrete

Xu Y, Luo T, Wu B, Xia Z, Xu W, Gao J

Sci Rep

12-Mar-2024

PMCID:	PMC10933349
doi:	10.1038/s41598-024-56473-9
PMID:	38472340

Pest risk assessment of Leucinodes orbonalis for the European Union

Bragard C, Baptista P, Chatzivassiliou E, Di Serio F, Gonthier P, Jaques Miret JA, Justesen AF, MacLeod A, Magnusson CS, Milonas P, Navas‐Cortes JA, Parnell S, Potting R, Reignault PL, Stefani E, Thulke H, Vicent Civera A, Yuen J, Zappalà L, Mally R, Czwienczek E, Gobbi A, López Mercadal J, Maiorano A, Mosbach‐Schulz O, Pautasso M, Rossi E, Stancanelli G, Tramontini S, Van der Werf W

EFSA J

12-Mar-2024

PMCID:	PMC10928798
doi:	10.2903/j.efsa.2024.8498
PMID:	38476322

Mating strategies of Vitex negundo L. var. heterophylla (Franch.) Rehder (Lamiaceae): A mixed mating system with inbreeding depression

Zhang Q, Zhang J, Sun X, Wang F, Wang R, Wang H, Zheng P

Ecol Evol

26-Feb-2024

PMCID:	PMC10897527
doi:	10.1002/ece3.10927
PMID:	38414571

A Case Study of Furunculosis following an Ayurvedic Oil Massage, Sudation Therapy, and Lessons to Learn

Kulkarni SP, Kulkarni PS, Kumar S

Case Rep Dermatol Med

08-Feb-2024

PMCID:	PMC10869181
doi:	10.1155/2024/3660064
PMID:	38361501

Phytochemical Profile Top

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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 / Harmala alkaloids
1-Methoxymethyl-Beta-Carboline	5382686	Click to see COCC1=NC=CC2=C1NC3=CC=CC=C23	212.25	unknown	via CMAUP database
3-(9H-pyrido[3,4-b]indol-1-yl)propanoic acid	5375436	Click to see C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)CCC(=O)O	240.26	unknown	via CMAUP database
7-Methoxy-Beta-Carboline-1-Propionic Acid	12082492	Click to see	270.28	unknown	via CMAUP database
Methyl 9H-pyrido(3,4-b)indole-1-carboxylate	597266	Click to see	226.23	unknown	via CMAUP database
n-Pentyl beta-carboline-1-propionate	11404122	Click to see CCCCCOC(=O)CCC1=NC=CC2=C1NC3=CC=CC=C23	310.40	unknown	via CMAUP database
> Alkaloids and derivatives / Indolonaphthyridine alkaloids
1-Hydroxy-9-medroxycanthin-6-one	11448499	Click to see	266.25	unknown	via CMAUP database
1-Hydroxycanthin-6-one	86014459	Click to see C1=CC=C2C(=C1)C3=C4N2C(=O)C=CC4=NC=C3O	236.22	unknown	via CMAUP database
12-Hydroxy-13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one	70649326	Click to see	266.25	unknown	via CMAUP database
13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one	637482	Click to see C1=CC2=C(C=C1OC3C(C(C(C(O3)CO)O)O)O)N4C(=O)C=CC5=NC=CC2=C54	398.40	unknown	via CMAUP database
13-Methoxy-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,7,9(16),10(15),11,13-hexaene-2,3-dione	10912909	Click to see CN1C=CC2=C3C1=CC(=O)C(=O)N3C4=C2C=CC(=C4)OC	280.28	unknown	via CMAUP database
3-(Hydroxymethyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one	86249531	Click to see C1=CC=C2C(=C1)C3=C4N2C(=O)C(=CC4=NC=C3)CO	250.25	unknown	via CMAUP database
3,13-Dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one	86176124	Click to see	280.28	unknown	via CMAUP database
4,5-Dihydrocanthin-6-one	76316632	Click to see	222.24	unknown	via CMAUP database
4,5-Dimethoxycanthin-6-One	638215	Click to see	280.28	unknown	via CMAUP database
5-Hydroxymethyl-9-methoxycanthin-6-one	11300467	Click to see	280.28	unknown	via CMAUP database
5-Methoxycanthin-6-one	259218	Click to see	250.25	unknown	via CMAUP database
6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 10-methoxy-	158928	Click to see COC1=CC2=C(C=C1)N3C(=O)C=CC4=NC=CC2=C43	250.25	unknown	via CMAUP database
8-Hydroxy-9-methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one	85654132	Click to see COC1=C(C2=C(C=C1)C3=C4N2C(=O)C=CC4=NC=C3)O	266.25	unknown	via CMAUP database
9-Methoxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one	9881423	Click to see	250.25	unknown	via CMAUP database
9-Methoxycanthin-6-one-N-oxide	44593495	Click to see	266.25	unknown	via CMAUP database
9,10-Dimethoxycanthin-6-one	10446368	Click to see COC1=C(C=C2C(=C1)C3=C4N2C(=O)C=CC4=NC=C3)OC	280.28	unknown	via CMAUP database
Canthin-6-One	97176	Click to see	220.23	unknown	via CMAUP database
Canthin-6-one N-oxide	9991699	Click to see	236.22	unknown	via CMAUP database
Picrasidine L	5324104	Click to see	250.25	unknown	via CMAUP database
Picrasidine Q	54714262	Click to see	266.25	unknown	via CMAUP database
> Benzenoids / Anthracenes / Anthracenecarboxylic acids and derivatives / Anthracenecarboxylic acids
Rhein	10168	Click to see	284.22	unknown	via CMAUP database
> Benzenoids / Anthracenes / Anthraquinones / Hydroxyanthraquinones
Alizarin	6293	Click to see	240.21	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acids
p-Hydroxybenzoate	54675830	Click to see	137.11	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
4-Hydroxybenzoic acid	135	Click to see C1=CC(=CC=C1C(=O)O)O	138.12	unknown	https://doi.org/10.1002/PTR.1088
Protocatechuic Acid	72	Click to see	154.12	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
4-Hydroxy-3,5-dimethoxybenzoate	54694262	Click to see COC1=CC(=CC(=C1[O-])OC)C(=O)O	197.16	unknown	via CMAUP database
Syringic Acid	10742	Click to see	198.17	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Gallic acids
Gallic Acid	370	Click to see	170.12	unknown	via CMAUP database
> 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	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Phthalic acid and derivatives / M-phthalic acid and derivatives
5-Hydroxyisophthalic acid	69257	Click to see	182.13	unknown	https://doi.org/10.1248/CPB.52.1269
> Benzenoids / Benzene and substituted derivatives / Biphenols
Vitexdoin E	44479221	Click to see	340.30	unknown	https://doi.org/10.1021/NP900320E
> Benzenoids / Benzene and substituted derivatives / Biphenyls and derivatives
6,6'-Dihydroxy-(1,1'-biphenyl)-3,3'-dicarboxylic acid	76328834	Click to see	274.22	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Cumenes
2-[2-(3-Hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-4-propan-2-ylphenol	75179652	Click to see	304.50	unknown	https://doi.org/10.1016/J.BMC.2009.11.004
Negundoin F	46229722	Click to see	304.50	unknown	https://doi.org/10.1016/J.BMC.2009.11.004
o-Cymene	10703	Click to see CC1=CC=CC=C1C(C)C	134.22	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Diphenylethers
(1R,2R)-1-[4-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-3-methoxyphenyl]propane-1,2,3-triol	101225308	Click to see	376.40	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Diphenylmethanes
(-)-Dalbergiphenol	44559636	Click to see	270.32	unknown	https://doi.org/10.1248/CPB.52.1269
Phenol, 2,4-dimethoxy-5-[(1R)-1-phenyl-2-propenyl]-	11687648	Click to see	270.32	unknown	https://doi.org/10.1248/CPB.52.1269
> Benzenoids / Naphthalenes / Naphthols and derivatives
Vitexdoin B	44478948	Click to see	324.30	unknown	https://doi.org/10.1021/NP900320E
Vitexdoin C	44478949	Click to see COC1=C(C=CC(=C1)C2=C(C=CC3=CC(=C(C=C32)O)OC)C=O)O	324.30	unknown	https://doi.org/10.1021/NP900320E
Vitexdoin D	44479220	Click to see	340.30	unknown	https://doi.org/10.1021/NP900320E
Vitrofolal E	10947295	Click to see COC1=C(C=CC(=C1)C2=CC(=CC3=CC(=C(C=C32)O)OC)C=O)O	324.30	unknown	https://doi.org/10.1021/NP900320E https://doi.org/10.1248/CPB.52.1269 https://doi.org/10.1021/NP040102T https://doi.org/10.1016/J.PHYMED.2004.09.001
Vitrofolal F	11013229	Click to see	340.30	unknown	https://doi.org/10.1021/NP900320E https://doi.org/10.1248/CPB.52.1269 https://doi.org/10.1021/NP040102T
> Benzenoids / Phenanthrenes and derivatives
(2R,3S,4aR,6aR,6bS,14aR,14bR)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4a,5,6,7,8,14,14a-decahydropicene-2,3-diol	162867249	Click to see	422.60	unknown	https://doi.org/10.1016/J.FITOTE.2011.09.012
> Benzenoids / Phenols / Methoxyphenols
1,2,3-Propanetriol, 1-(4-hydroxy-3-methoxyphenyl)-, (1R,2R)-	11063784	Click to see	214.21	unknown	via CMAUP database
3-(4-Hydroxy-3-methoxyphenyl)propyl hexatetracontanoate	71406999	Click to see	841.40	unknown	https://doi.org/10.1248/CPB.52.1269
Eugenol	3314	Click to see	164.20	unknown	via CMAUP database
Syringaldehyde	8655	Click to see COC1=CC(=CC(=C1O)OC)C=O	182.17	unknown	via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
Gamma-Terpinene	7461	Click to see	136.23	unknown	https://doi.org/10.1055/S-2006-959580
> Lignans, neolignans and related compounds / Arylnaphthalene lignans
Detetrahydroconidendrin	10617963	Click to see	352.30	unknown	https://doi.org/10.1021/NP040102T
Vitedoamine A	11348702	Click to see	351.40	unknown	https://doi.org/10.1021/NP900320E https://doi.org/10.1021/NP040102T
Vitedoamine B	44478947	Click to see COC1=CC2=CC3=C(C(=C2C=C1O)C4=CC(=C(C=C4)O)OC)C(=O)NC3	351.40	unknown	https://doi.org/10.1021/NP900320E
> Lignans, neolignans and related compounds / Aryltetralin lignans
6-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-3,4-dihydronaphthalene-2-carbaldehyde	85087683	Click to see COC1=C(C=CC(=C1)C2C(C(=CC3=CC(=C(C=C23)O)OC)C=O)CO)O	356.40	unknown	https://doi.org/10.1016/0031-9422(92)80485-W https://doi.org/10.1021/NP900320E https://doi.org/10.1021/NP040102T
6-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-hydroxymethyl-5-methoxy-3,4-dihydro-2-naphthaldehyde	11325737	Click to see	356.40	unknown	https://doi.org/10.1021/NP040102T
6-Hydroxy-4-(4-Hydroxy-3-Methoxyphenyl)-3-Hydroxymethyl-7-Methoxy-3,4-Dihydro-2-Naphthaldehyde	9998370	Click to see	356.40	unknown	https://doi.org/10.1016/0031-9422(92)80485-W https://doi.org/10.1021/NP900320E https://doi.org/10.1021/NP040102T
6,7-Dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-3,4-dihydronaphthalene-2-carbaldehyde	75033342	Click to see	342.30	unknown	https://doi.org/10.1021/NP900320E
8-(4-Hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-7,8-dihydronaphthalen-2-ol	85152915	Click to see COC1=C(C=CC(=C1)C2C(C(=CC3=CC(=C(C=C23)O)OC)CO)CO)O	358.40	unknown	https://doi.org/10.1248/CPB.52.1269
Negundin B	10473569	Click to see COC1=C(C=CC(=C1)C2C(C(=CC3=CC(=C(C=C23)O)OC)CO)CO)O	358.40	unknown	https://doi.org/10.1248/CPB.52.1269 https://doi.org/10.1016/J.PHYMED.2004.09.001
Vitedoin A	21574226	Click to see	356.40	unknown	https://doi.org/10.1021/NP040102T
Vitexdoin A	44478946	Click to see	342.30	unknown	https://doi.org/10.1021/NP900320E
> Lignans, neolignans and related compounds / Aryltetralin lignans / 9,9p-dihydroxyaryltetralin lignans
(+)-Lyoniresinol	11711453	Click to see COC1=CC(=CC(=C1O)OC)C2C(C(CC3=CC(=C(C(=C23)OC)O)OC)CO)CO	420.50	unknown	https://doi.org/10.1016/J.PHYMED.2004.09.001
(6R,7S,8S)-8-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol	102317783	Click to see	420.50	unknown	https://doi.org/10.1248/CPB.52.1269
> Lignans, neolignans and related compounds / Furanoid lignans
(+-)-Pinoresinol	234817	Click to see	358.40	unknown	https://doi.org/10.1016/J.PHYTOL.2011.05.004
(1S,3S,3aS,4S,6R,6aS)-1,4-bis(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol	163190775	Click to see	386.40	unknown	https://doi.org/10.1016/J.PHYTOL.2011.05.004
(3S,3aS,4S,6S,6aR)-3,6-bis(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-ol	21722917	Click to see C1C2C(C(O1)C3=CC4=C(C=C3)OCO4)C(OC2C5=CC6=C(C=C5)OCO6)O	370.40	unknown	https://doi.org/10.1016/J.PHYTOL.2011.05.004
3,6-Bis(2H-1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-ol	14032964	Click to see C1C2C(C(O1)C3=CC4=C(C=C3)OCO4)C(OC2C5=CC6=C(C=C5)OCO6)O	370.40	unknown	https://doi.org/10.1016/J.PHYTOL.2011.05.004
3,6-Bis(benzo[d][1,3]dioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diol	73067510	Click to see C1OC2=C(O1)C=C(C=C2)C3C4C(C(OC4O)C5=CC6=C(C=C5)OCO6)C(O3)O	386.40	unknown	https://doi.org/10.1016/J.PHYTOL.2011.05.004
4-[(3R,3aS,6R,6aS)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenol	70695728	Click to see	356.40	unknown	https://doi.org/10.1016/J.PHYTOL.2011.05.004
Episesamin	5204	Click to see C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6	354.40	unknown	https://doi.org/10.1016/J.PHYTOL.2011.05.004
Pinoresinol	73399	Click to see COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O	358.40	unknown	https://doi.org/10.1016/J.PHYTOL.2011.05.004
Sesamin	72307	Click to see C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6	354.40	unknown	https://doi.org/10.1016/J.PHYTOL.2011.05.004
Xanthoxylol	130679	Click to see	356.40	unknown	https://doi.org/10.1016/J.PHYTOL.2011.05.004
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 7,9-epoxylignans
4-[[(3R,4S,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenol	15560085	Click to see	360.40	unknown	via CMAUP database
> Lignans, neolignans and related compounds / Lignan lactones
(1R,3S,3aR,4R,6aR)-1,4-bis(1,3-benzodioxol-5-yl)-3-hydroxy-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-6-one	162887734	Click to see C1OC2=C(O1)C=C(C=C2)C3C4C(C(OC4O)C5=CC6=C(C=C5)OCO6)C(=O)O3	384.30	unknown	https://doi.org/10.1016/J.PHYTOL.2011.05.004
3,6-bis(1,3-benzodioxol-5-yl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-one	78182198	Click to see C1C2C(C(O1)C3=CC4=C(C=C3)OCO4)C(=O)OC2C5=CC6=C(C=C5)OCO6	368.30	unknown	https://doi.org/10.1016/J.PHYTOL.2011.05.004
Aptosimon	15726240	Click to see	368.30	unknown	https://doi.org/10.1016/J.PHYTOL.2011.05.004
> Lipids and lipid-like molecules / Fatty Acyls / Eicosanoids / Prostaglandins and related compounds
Laurycolactone A	46878902	Click to see	318.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
Ethyl 9-hexadecenoate	5364759	Click to see	282.50	unknown	via CMAUP database
Pentyl 3-methylbutanoate	95978	Click to see CCCCCOC(=O)CC(C)C	172.26	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
Elaidic Acid	637517	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	282.50	unknown	via CMAUP database
Myristic Acid	11005	Click to see	228.37	unknown	via CMAUP database
Oleic Acid	445639	Click to see	282.50	unknown	via CMAUP database
Oleic acid-d2	13011408	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	284.50	unknown	via CMAUP database
Palmitic Acid	985	Click to see	256.42	unknown	via CMAUP database
Stearic Acid	5281	Click to see	284.50	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
Lauric Acid	3893	Click to see	200.32	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters
Geranyl acetate	1549026	Click to see CC(=CCCC(=CCOC(=O)C)C)C	196.29	unknown	via CMAUP database
Neryl acetate	1549025	Click to see	196.29	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
Hentriacontan-1-ol	68345	Click to see	452.80	unknown	https://doi.org/10.1002/PTR.1088
Nonan-1-ol	8914	Click to see CCCCCCCCCO	144.25	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
Linoleic Acid	5280450	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	via CMAUP database
Linolenic Acid	5280934	Click to see	278.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
(2R,4aR,4bS,8aS,9R)-2-ethenyl-9-hydroxy-4b-(hydroxymethyl)-2,8,8-trimethyl-3,4,4a,5,6,7,8a,9-octahydrophenanthren-1-one	162891874	Click to see CC1(CCCC2(C1C(C=C3C2CCC(C3=O)(C)C=C)O)CO)C	318.40	unknown	https://doi.org/10.1016/J.BMC.2009.11.004
(2S,4aS,10aR)-2-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one	101840046	Click to see	300.40	unknown	https://doi.org/10.1016/J.BMC.2009.11.004
(4bS,8aR,9S)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-9-ol	5318117	Click to see	286.50	unknown	https://doi.org/10.1016/0031-9422(92)80485-W
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1alpha,4abeta,10aalpha)]-	1201531	Click to see CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)O)C	300.40	unknown	via CMAUP database
2-Ethenyl-9-hydroxy-4b-(hydroxymethyl)-2,8,8-trimethyl-3,4,4a,5,6,7,8a,9-octahydrophenanthren-1-one	75179490	Click to see CC1(CCCC2(C1C(C=C3C2CCC(C3=O)(C)C=C)O)CO)C	318.40	unknown	https://doi.org/10.1016/J.BMC.2009.11.004
2-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one	73815997	Click to see CC(C)C1=CC2=C(C=C1)C3(CCC(C(C3CC2=O)(C)C)O)C	300.40	unknown	https://doi.org/10.1016/J.BMC.2009.11.004
4b,8,8-Trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-9-ol	78385042	Click to see	286.50	unknown	https://doi.org/10.1016/0031-9422(92)80485-W
CID 75146144	75146144	Click to see CC1CCC2C(C(CCC2(C13CCC4(O3)CCOC4O)C)OC(=O)C)(C)C	380.50	unknown	https://doi.org/10.1016/J.BMC.2009.11.004
Negundoin E	46229721	Click to see CC1CCC2C(C(CCC2(C13CCC4(O3)CCOC4O)C)OC(=O)C)(C)C	380.50	unknown	https://doi.org/10.1016/J.BMC.2009.11.004
Negundoin G	46229332	Click to see	318.40	unknown	https://doi.org/10.1016/J.BMC.2009.11.004
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
(R)-(+)-Citronellal	75427	Click to see CC(CCC=C(C)C)CC=O	154.25	unknown	via CMAUP database
(S)-(-)-Citronellal	443157	Click to see	154.25	unknown	via CMAUP database
2-Ethenyl-2,6-dimethylhept-5-enoate	17998685	Click to see	181.25	unknown	via CMAUP database
beta-OCIMENE, (3E)-	5281553	Click to see	136.23	unknown	https://doi.org/10.1055/S-2006-959580
beta-Ocimene, (3Z)-	5320250	Click to see	136.23	unknown	via CMAUP database
Citronellal	7794	Click to see	154.25	unknown	https://doi.org/10.1055/S-2006-959580
Citronellol	8842	Click to see	156.26	unknown	https://doi.org/10.1055/S-2006-959580
Geraniol	637566	Click to see CC(=CCCC(=CCO)C)C	154.25	unknown	https://doi.org/10.1055/S-2006-959580
Linalool	6549	Click to see	154.25	unknown	https://doi.org/10.1055/S-2006-959580
Linalool formate	61040	Click to see	182.26	unknown	via CMAUP database
Linalool, (-)-	443158	Click to see CC(=CCCC(C)(C=C)O)C	154.25	unknown	via CMAUP database
Linalool, (+)-	67179	Click to see	154.25	unknown	via CMAUP database
Linalyl Acetate	8294	Click to see	196.29	unknown	https://doi.org/10.1055/S-2006-959580
Myrcene	31253	Click to see	136.23	unknown	https://doi.org/10.1055/S-2006-959580
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
P-Cymene	7463	Click to see	134.22	unknown	https://doi.org/10.1055/S-2006-959580
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(-)-3-Carene	442461	Click to see CC1=CCC2C(C1)C2(C)C	136.23	unknown	via CMAUP database
(-)-Sabinene	11051711	Click to see CC(C)C12CCC(=C)C1C2	136.23	unknown	https://doi.org/10.1246/NIKKASHI1921.61.787
(+-)-alpha-Pinene	6654	Click to see	136.23	unknown	https://doi.org/10.1055/S-2006-959580
(+)-3-Carene	443156	Click to see	136.23	unknown	via CMAUP database
(+)-alpha-Pinene	82227	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	via CMAUP database
(+)-Sabinene	10887971	Click to see	136.23	unknown	via CMAUP database
(1R,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one	6973628	Click to see CC1=CC(=O)C2CC1C2(C)C	150.22	unknown	https://doi.org/10.1055/S-2006-959580
(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene	12223113	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	via CMAUP database
(5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane	6429260	Click to see	136.23	unknown	https://doi.org/10.1055/S-2006-959580
3-Carene	26049	Click to see CC1=CCC2C(C1)C2(C)C	136.23	unknown	https://doi.org/10.1055/S-2006-959580
4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-one	29025	Click to see	150.22	unknown	https://doi.org/10.1055/S-2006-959580
alpha Thujene	6451618	Click to see	136.23	unknown	https://doi.org/10.1055/S-2006-959580
alpha-Bergamotene	86608	Click to see	204.35	unknown	via CMAUP database
alpha-Thujene	17868	Click to see	136.23	unknown	https://doi.org/10.1055/S-2006-959580
Beta-bergamotene, trans-	12300069	Click to see	204.35	unknown	https://doi.org/10.1055/S-2006-959580
Beta-Pinene	14896	Click to see	136.23	unknown	https://doi.org/10.1055/S-2006-959580
beta-Thujene	520384	Click to see CC1C=CC2(C1C2)C(C)C	136.23	unknown	via CMAUP database
Borneol	64685	Click to see	154.25	unknown	https://doi.org/10.1055/S-2006-959580
Bornyl acetate	6448	Click to see CC(=O)OC1CC2CCC1(C2(C)C)C	196.29	unknown	https://doi.org/10.1055/S-2006-959580
Camphene	6616	Click to see	136.23	unknown	https://doi.org/10.1055/S-2006-959580
Camphor	2537	Click to see	152.23	unknown	https://doi.org/10.1055/S-2006-959580
CID 44630107	44630107	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	https://doi.org/10.1055/S-2006-959580
Sabinene	18818	Click to see	136.23	unknown	https://doi.org/10.1055/S-2006-959580 https://doi.org/10.1246/NIKKASHI1921.61.787
Terpinen-4-ol acetate	68749986	Click to see CC1=C2CC(C2(C)C)CC1C3(CC4CC(=C3C)C4(C)C)C5C(C6CC(=C5C)C6(C)C)OC(=O)C	462.70	unknown	https://doi.org/10.1055/S-2006-959580
trans-alpha-Bergaptene	6428986	Click to see CC1=CCC2CC1C2(C)CCC=C(C)C	204.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Iridoids and derivatives
(4aR,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol	10058196	Click to see	184.19	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
(-)-cis-Carveol	330573	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	via CMAUP database
(-)-Terpinen-4-ol	5325830	Click to see CC1=CCC(CC1)(C(C)C)O	154.25	unknown	via CMAUP database
(-)-trans-Carveol	94221	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	via CMAUP database
(+) Menthol	12285346	Click to see CC1CCC(C(C1)O)C(C)C	156.26	unknown	via CMAUP database
(+)-cis-Carveol	443177	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	via CMAUP database
(+)-Limonene	440917	Click to see	136.23	unknown	via CMAUP database
(+)-Menthol	165675	Click to see CC1CCC(C(C1)O)C(C)C	156.26	unknown	via CMAUP database
(+)-Menthone	443159	Click to see	154.25	unknown	via CMAUP database
(+)-Neomenthol	439263	Click to see	156.26	unknown	via CMAUP database
(+)-Terpinen-4-ol	2724161	Click to see CC1=CCC(CC1)(C(C)C)O	154.25	unknown	via CMAUP database
(+)-trans-Carveol	443178	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	via CMAUP database
(L)-alpha-terpineol	443162	Click to see	154.25	unknown	via CMAUP database
3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, acetate	20960	Click to see CC1=CCC(CC1)(C(C)C)OC(=O)C	196.29	unknown	https://doi.org/10.1055/S-2006-959580
4-Terpineol, (+/-)-	11230	Click to see CC1=CCC(CC1)(C(C)C)O	154.25	unknown	https://doi.org/10.1055/S-2006-959580
alpha-PHELLANDRENE	7460	Click to see CC1=CCC(C=C1)C(C)C	136.23	unknown	https://doi.org/10.1055/S-2006-959580
Alpha-Terpinene	7462	Click to see	136.23	unknown	https://doi.org/10.1055/S-2006-959580
Alpha-Terpineol	17100	Click to see	154.25	unknown	https://doi.org/10.1055/S-2006-959580
alpha-Terpinyl acetate	111037	Click to see CC1=CCC(CC1)C(C)(C)OC(=O)C	196.29	unknown	via CMAUP database
Beta-Phellandrene	11142	Click to see CC(C)C1CCC(=C)C=C1	136.23	unknown	https://doi.org/10.1055/S-2006-959580
Carveol	7438	Click to see	152.23	unknown	via CMAUP database
Carveol, (-)-	11084068	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	via CMAUP database
Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, acetate	88693	Click to see	196.29	unknown	via CMAUP database
l-Menthol	16666	Click to see CC1CCC(C(C1)O)C(C)C	156.26	unknown	via CMAUP database
l-Menthyl propionate	221455	Click to see CCC(=O)OC1CC(CCC1C(C)C)C	212.33	unknown	via CMAUP database
Limonene, (-)-	439250	Click to see	136.23	unknown	via CMAUP database
Limonene, (+/-)-	22311	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	via CMAUP database
Menthol	1254	Click to see	156.26	unknown	via CMAUP database
Menthone	26447	Click to see	154.25	unknown	via CMAUP database
p-Menthan-3-one	6986	Click to see	154.25	unknown	via CMAUP database
Terpinolene	11463	Click to see	136.23	unknown	https://doi.org/10.1055/S-2006-959580
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(-)-Isocaryophyllene	5281522	Click to see	204.35	unknown	via CMAUP database
(+)-beta-Caryophyllene	20831623	Click to see	204.35	unknown	via CMAUP database
(+)-Nerolidol	5356544	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	via CMAUP database
(1R,2S,7S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene	92042749	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	https://doi.org/10.1055/S-2006-959580
(1R,4R,5R,9S)-4,5-epoxycaryophyllan-8(13)-ene	1742211	Click to see	220.35	unknown	via CMAUP database
(1R,4S,4aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol	5315592	Click to see	222.37	unknown	https://doi.org/10.1055/S-2006-959580
(1S,5R,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene	134779875	Click to see	204.35	unknown	https://doi.org/10.1055/S-2006-959580
(2R)-6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol	6506009	Click to see CC1=CCC(CC1)C(C)(CCC=C(C)C)O	222.37	unknown	https://doi.org/10.1055/S-2006-959580
(3R,5S)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene	6432384	Click to see CC1CCC2=C(CCC(CC12)C(=C)C)C	204.35	unknown	via CMAUP database
(3R,6E)-Nerolidol	11241545	Click to see	222.37	unknown	via CMAUP database
(3S,6E)-Nerolidol	5281525	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	via CMAUP database
(3S)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-ol	162881173	Click to see	254.36	unknown	https://doi.org/10.1016/J.FITOTE.2011.09.012
(4Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene	5322111	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	via CMAUP database
(R)-beta-bisabolene	68128	Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C	204.35	unknown	https://doi.org/10.1055/S-2006-959580
(Z)-caryophyllene	6429301	Click to see	204.35	unknown	via CMAUP database
1-(1,5-Dimethyl-4-hexen-1-yl)-4-methyl-1,4-cyclohexadiene	6428461	Click to see	204.35	unknown	via CMAUP database
1-Ethenyl-1,2-dimethyl-4-propan-2-ylidene-2-prop-1-en-2-ylcyclohexane	5317024	Click to see	218.38	unknown	https://doi.org/10.1055/S-2006-959580
1-Methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene	403919	Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C	204.35	unknown	via CMAUP database
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-	8888	Click to see	222.37	unknown	via CMAUP database
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3R,6Z)-	12227246	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	via CMAUP database
2-Isopropenyl-1-methyl-4-(1-methylethylidene)-1-vinylcyclohexane	6432312	Click to see CC(=C1CCC(C(C1)C(=C)C)(C)C=C)C	204.35	unknown	https://doi.org/10.1055/S-2006-959580
3a-Methyl-6-methylidene-1-(propan-2-yl)decahydrocyclobuta(1,2-a:3,4-a')dicyclopentene	324224	Click to see	204.35	unknown	https://doi.org/10.1055/S-2006-959580
4-Methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol	27208	Click to see	222.37	unknown	https://doi.org/10.1055/S-2006-959580
4,11,11-Trimethyl-8-methylene-5-oxatricyclo(8.2.0.0(4,6))dodecane, (1R,4R,6R,10S)-	6604672	Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C	220.35	unknown	via CMAUP database
4,11,11-Trimethyl-8-methylenebicyclo(7.2.0)undec-4-ene	26318	Click to see	204.35	unknown	https://doi.org/10.1246/NIKKASHI1921.61.787
4,12,12-Trimethyl-9-methylene-5-oxatricyclo(8.2.0.04,6)dodecane	14350	Click to see	220.35	unknown	via CMAUP database
alpha-Bisabolol	10586	Click to see CC1=CCC(CC1)C(C)(CCC=C(C)C)O	222.37	unknown	https://doi.org/10.1055/S-2006-959580
alpha-Bisabolol acetate	40457819	Click to see	264.40	unknown	via CMAUP database
alpha-Bisabolol, acetate	524246	Click to see	264.40	unknown	via CMAUP database
alpha-Cadinol	10398656	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	https://doi.org/10.1055/S-2006-959580
alpha-Cubebene	442359	Click to see	204.35	unknown	https://doi.org/10.1055/S-2006-959580
alpha-Guaiene	5317844	Click to see	204.35	unknown	https://doi.org/10.1055/S-2006-959580
alpha-Ylangene	101607926	Click to see	204.35	unknown	https://doi.org/10.1055/S-2006-959580 https://doi.org/10.1055/S-2006-959580
Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1S,4S,7R)-	107152	Click to see	204.35	unknown	via CMAUP database
Beta-Bisabolene	10104370	Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C	204.35	unknown	https://doi.org/10.1055/S-2006-959580
beta-Bourbonene	62566	Click to see	204.35	unknown	https://doi.org/10.1055/S-2006-959580
Cadin-4-en-10-ol	519662	Click to see	222.37	unknown	via CMAUP database
Caryophyllene	5281515	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	https://doi.org/10.1246/NIKKASHI1921.61.787 https://doi.org/10.1055/S-2006-959580
Caryophyllene oxide	1742210	Click to see	220.35	unknown	via CMAUP database
Caryophyllene,alpha + beta mixt.	5354499	Click to see	204.35	unknown	via CMAUP database
cis-Nerolidol	5320128	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	https://doi.org/10.1055/S-2006-959580
Copaene	19725	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	https://doi.org/10.1055/S-2006-959580
delta-Amorphene	12306059	Click to see	204.35	unknown	via CMAUP database
epi-alpha-Cadinol	160799	Click to see	222.37	unknown	https://doi.org/10.1055/S-2006-959580
epi-beta-Bisabolol	12300148	Click to see	222.37	unknown	https://doi.org/10.1055/S-2006-959580
gamma-Cadinene	15094	Click to see CC1=CC2C(CC1)C(=C)CCC2C(C)C	204.35	unknown	https://doi.org/10.1055/S-2006-959580
gamma-Cadinene	6432404	Click to see	204.35	unknown	https://doi.org/10.1055/S-2006-959580
Humulene	5281520	Click to see	204.35	unknown	https://doi.org/10.1055/S-2006-959580
Negunfurol	163184208	Click to see	254.36	unknown	https://doi.org/10.1016/J.FITOTE.2011.09.012
Nerolidol	5284507	Click to see	222.37	unknown	via CMAUP database
Npc16157	13240188	Click to see	220.35	unknown	via CMAUP database
Npc254770	12302222	Click to see	222.37	unknown	via CMAUP database
Npc294136	14757966	Click to see	204.35	unknown	via CMAUP database
Npc57877	6431302	Click to see	222.37	unknown	via CMAUP database
Npc91574	12306054	Click to see	204.35	unknown	via CMAUP database
tau-Muurolol	6432221	Click to see CC1=CC2C(CCC(C2CC1)(C)O)C(C)C	222.37	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
(-)-Epiglobulol	11858788	Click to see	222.37	unknown	via CMAUP database
(+)-Aromadendrene	11095734	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	via CMAUP database
(1aR,4R,4aR,7R,7aS,7bS)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol	91746597	Click to see	222.37	unknown	https://doi.org/10.1055/S-2006-959580
(1aS,4aS,7aS,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene	91746456	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	via CMAUP database
(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	220.35	unknown	https://doi.org/10.1055/S-2006-959580
(1aS,4S,4aS,7S,7aR,7bR)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol	12304982	Click to see	222.37	unknown	via CMAUP database
(7aR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol	5321422	Click to see	220.35	unknown	https://doi.org/10.1055/S-2006-959580
1H-Cycloprop(e)azulene, decahydro-1,1,7-trimethyl-4-methylene-, (1aR-(1aalpha,4abeta,7alpha,7abeta,7balpha))-	91354	Click to see	204.35	unknown	via CMAUP database
alpha-Gurjunene	15560276	Click to see CC1CCC2C(C2(C)C)C3=C(CCC13)C	204.35	unknown	https://doi.org/10.1055/S-2006-959580
beta-Diploalbicene	177445	Click to see	204.35	unknown	via CMAUP database
epi-Globulol	7308311	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
Globulol	12304985	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	via CMAUP database
Npc123229	6432543	Click to see	222.37	unknown	via CMAUP database
Npc239037	101716	Click to see	222.37	unknown	https://doi.org/10.1055/S-2006-959580
Viridiflorene	10910653	Click to see CC1CCC2=C(CCC3C(C12)C3(C)C)C	204.35	unknown	https://doi.org/10.1055/S-2006-959580
Viridiflorol	11996452	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	https://doi.org/10.1055/S-2006-959580
Viridiflorol (incomplete stereochemistry)	94174	Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O	222.37	unknown	https://doi.org/10.1055/S-2006-959580
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids
2-(4-Ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl)propan-2-ol	547972	Click to see	222.37	unknown	https://doi.org/10.1055/S-2006-959580
Beta-Elemene	6918391	Click to see	204.35	unknown	https://doi.org/10.1055/S-2006-959580
Elemol	92138	Click to see	222.37	unknown	https://doi.org/10.1055/S-2006-959580
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
(S)-Viteralone	92030371	Click to see	242.27	unknown	https://doi.org/10.1016/J.FITOTE.2011.09.012 https://doi.org/10.1016/0031-9422(83)83058-1
Eremophilene	12309744	Click to see CC1CCC=C2C1(CC(CC2)C(=C)C)C	204.35	unknown	via CMAUP database
Valencene	9855795	Click to see CC1CCC=C2C1(CC(CC2)C(=C)C)C	204.35	unknown	via CMAUP database
Viteralone	91885228	Click to see CC1CCC(=O)C2=CC3=C(C(=C12)C)C(=CO3)C=O	242.27	unknown	https://doi.org/10.1016/J.FITOTE.2011.09.012 https://doi.org/10.1016/0031-9422(83)83058-1
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
Beta-Eudesmol	91457	Click to see	222.37	unknown	https://doi.org/10.1055/S-2006-959580
Beta-Selinene	442393	Click to see	204.35	unknown	https://doi.org/10.1055/S-2006-959580
gamma-EUDESMOL	6432005	Click to see CC1=C2CC(CCC2(CCC1)C)C(C)(C)O	222.37	unknown	https://doi.org/10.1055/S-2006-959580
> 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-2006-959580
Germacrene D	5317570	Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C	204.35	unknown	https://doi.org/10.1055/S-2006-959580
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
(1R,4aR,7aR)-7-[(3,4-dihydroxybenzoyl)oxymethyl]-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid	162885554	Click to see	524.40	unknown	https://doi.org/10.1080/14786410802696494
(1S,4aS,7S,7aS)-1-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid	16655052	Click to see CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC=C(C=C4)O)O	496.50	unknown	https://doi.org/10.1016/J.BMCL.2006.09.051
(1S,4AS,7S,7aS)-7-hydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((4-hydroxybenzoyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid	23955877	Click to see	496.50	unknown	https://doi.org/10.1016/0031-9422(83)85054-7
[(1S,3R,4aR,5S,7aS)-5-hydroxy-3-methoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate	21724410	Click to see	498.50	unknown	https://doi.org/10.1080/14786410802696494 https://doi.org/10.1016/S0031-9422(00)80420-3
[(1S,4aR,5S,7aS)-5-hydroxy-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate	44439686	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/J.BMCL.2006.09.051
[(1S,4aR,7aS)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate	163038699	Click to see C1C=C(C2C1C=COC2OC3C(C(C(C(O3)CO)O)O)O)COC(=O)C4=CC=C(C=C4)O	450.40	unknown	https://doi.org/10.1080/14786410802696494
[(1S,4aS,5R,7aR)-5-hydroxy-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate	17750979	Click to see	466.40	unknown	via CMAUP database
[(1S,5S)-5-hydroxy-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate	92131257	Click to see	466.40	unknown	via CMAUP database
[1-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate	163038698	Click to see	450.40	unknown	https://doi.org/10.1080/14786410802696494
[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	466.40	unknown	https://doi.org/10.1002/CHIN.200509199 https://doi.org/10.1016/J.BMCL.2006.09.051 https://doi.org/10.1016/S0031-9422(00)80420-3
1-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid	102032626	Click to see CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC=C(C=C4)O)O	496.50	unknown	via CMAUP database
15-Demethyl plumieride	453214	Click to see	456.40	unknown	via CMAUP database
2'-p-Hydroxybenzoyl mussaenosidic acid	73298898	Click to see	496.50	unknown	https://doi.org/10.1080/14786410802696494 https://doi.org/10.1016/J.BMCL.2006.09.051 https://doi.org/10.1016/S0031-9422(00)80420-3 https://doi.org/10.1016/0031-9422(83)85054-7 https://doi.org/10.1016/S0031-9422(00)95267-1
7-[(3,4-dihydroxybenzoyl)oxymethyl]-5-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid	162885553	Click to see	524.40	unknown	https://doi.org/10.1080/14786410802696494
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	496.50	unknown	https://doi.org/10.1016/0031-9422(83)85054-7
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/J.BMCL.2006.09.051 https://doi.org/10.1016/S0031-9422(00)80420-3
Aucubin	91458	Click to see C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O	346.33	unknown	via CMAUP database
CID 51346123	51346123	Click to see	466.40	unknown	via CMAUP database
Negundoside	9935561	Click to see	496.50	unknown	https://doi.org/10.1080/14786410802696494 https://doi.org/10.1016/J.BMCL.2006.09.051 https://doi.org/10.1016/S0031-9422(00)80420-3 https://doi.org/10.1016/0031-9422(83)85054-7 https://doi.org/10.1016/S0031-9422(00)95267-1
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
Pedunculoside	14286954	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1(C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O	650.80	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Diterpene lactones
CID 75179651	75179651	Click to see	408.50	unknown	https://doi.org/10.1016/J.BMC.2009.11.004
Negundoin D	46229720	Click to see CC1CCC2C(C(CCC2(C13CCC4(O3)CC(=O)OC4OC)C)OC(=O)C)(C)C	408.50	unknown	https://doi.org/10.1016/J.BMC.2009.11.004
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Quassinoids
(1R,2S,3S,7R,9R,12R,13R,14S,15R,16R,17S)-3,7,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione	118708398	Click to see	412.40	unknown	via CMAUP database
(1R,2S,3S,7S,8R,9S,12R,13R,14S,15R,16R,17S)-3,8,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione	44614657	Click to see CC1C(C(C2C3(C(C(C4C2(C1(C(C(=O)O4)O)O)C)O)C(=CC(=O)C3O)C)C)O)O	412.40	unknown	via CMAUP database
(1R,2S,3S,7S,9R,13S,14R,15R,17S)-3,15-dihydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11,16-trione	76332506	Click to see	362.40	unknown	via CMAUP database
(1R,2S,3S,7S,9R,13S,14R,15S,17S)-3,15-dihydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11,16-trione	10992082	Click to see CC1C2CC(=O)OC3C2(C(C(=O)C1O)C4(C(C3)C(=CC(=O)C4O)C)C)C	362.40	unknown	via CMAUP database
(1R,4R,5R,6S,7R,8R,11R,13S,16S,17S,18S,19R)-4,5,7,8,16,17-hexahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one	101637224	Click to see CC1C(C2(C3C4(C(CC5C3(C1(C(C(=O)O5)O)O)CO2)C(=CC(C4O)O)C)C)O)O	412.40	unknown	via CMAUP database
(1R,4R,5R,6S,7R,8R,11R,13S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-14,18-dimethylspiro[3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-6,2'-oxirane]-9,16-dione	13936702	Click to see	424.40	unknown	via CMAUP database
(1R)-1,3abeta,11beta-Trihydroxy-2alpha,4beta-diacetoxy-3alpha,8,11abeta-trimethyl-1beta,11cbeta-(epoxymethano)-1,2,3,3a,4,5,6abeta,7aalpha,10,11,11a,11balpha,11c-tridecahydro-6-oxa-7H-benzo[de]anthracene-5,10-dione	44614656	Click to see CC1C(C2(C3C4(C(CC5C3(C1(C(C(=O)O5)OC(=O)C)O)CO2)C(=CC(=O)C4O)C)C)O)OC(=O)C	494.50	unknown	via CMAUP database
(1S,2R,6R,9R,10S,11R,12R,15R)-11-hydroxy-2,6,9,15-tetramethyl-13-oxatetracyclo[10.2.1.02,10.05,9]pentadec-4-ene-3,8,14-trione	11109942	Click to see CC1CC(=O)C2(C1=CC(=O)C3(C2C(C4C(C3C(=O)O4)C)O)C)C	318.40	unknown	via CMAUP database
(1S,2R,9R,10R,11R,12R,15R)-11-hydroxy-2,6,9,15-tetramethyl-13-oxatetracyclo[10.2.1.02,10.05,9]pentadeca-4,6-diene-3,8,14-trione	52325751	Click to see	316.30	unknown	via CMAUP database
[(1R,2S,3S,7S,9R,12R,13R,14S,15R,16R,17S)-3,13,15,16-tetrahydroxy-2,6,14,17-tetramethyl-4,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-en-12-yl] acetate	100931036	Click to see	438.50	unknown	via CMAUP database
13-alpha-(21)-Epoxyeurycomanone	13936703	Click to see	424.40	unknown	via CMAUP database
13,21-Dihydroeurycomanone	13936707	Click to see CC1C(C2(C3C4(C(CC5C3(C1(C(C(=O)O5)O)O)CO2)C(=CC(=O)C4O)C)C)O)O	410.40	unknown	via CMAUP database
14,15beta-Dihydroxyklaineanone	10883790	Click to see	396.40	unknown	via CMAUP database
15beta-Hydroxyklaineanone	21677660	Click to see CC1C2C(C(=O)OC3C2(C(C(C1O)O)C4(C(C3)C(=CC(=O)C4O)C)C)C)O	380.40	unknown	via CMAUP database
Eurycomanol	14396865	Click to see	410.40	unknown	via CMAUP database
Eurycomanol 2-O-\|A-D-glucopyranoside	101637225	Click to see	572.60	unknown	via CMAUP database
Eurycomanone	13936691	Click to see	408.40	unknown	via CMAUP database
Laurycolactone B	46878903	Click to see	316.30	unknown	via CMAUP database
methyl (1S,2R,8R,9R,10R,11R,12R,15R)-8,11-dihydroxy-2,6,9,15-tetramethyl-3,14-dioxo-13-oxatetracyclo[10.2.1.02,10.05,9]pentadeca-4,6-diene-8-carboxylate	15884867	Click to see CC1C2C(C3C(C1C(=O)O2)(C(=O)C=C4C3(C(C=C4C)(C(=O)OC)O)C)C)O	376.40	unknown	via CMAUP database
Pasakbumin D	14589373	Click to see CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(CO)O)O)(OC5)O)C)O	442.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Eudesmanolides, secoeudesmanolides, and derivatives
(1R,2R,3R,6R,7S,8R,9S,12S,13R,14R,15R,16R)-3,6,8,14,15-pentahydroxy-2,6,13,16-tetramethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-4-en-11-one	101499157	Click to see	368.40	unknown	via CMAUP database
(1R,2S,3S,7S,8R,9S,12S,13R,14R,15R,16R)-3,8,14,15-tetrahydroxy-2,6,13,16-tetramethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-5-ene-4,11-dione	14589371	Click to see	366.40	unknown	via CMAUP database
(1R,2S,3S,7S,9R,12S,13R,14R,15R,16R)-3,14,15-trihydroxy-2,6,13,16-tetramethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-5-ene-4,11-dione	102377055	Click to see	350.40	unknown	via CMAUP database
Eurycolactone F	10938426	Click to see	408.40	unknown	via CMAUP database
Eurycomaoside	11283976	Click to see	530.60	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(+)-Ursolic Acid	64945	Click to see	456.70	unknown	https://doi.org/10.1002/PTR.1088
(3S,5R,10S,13S,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-6-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol	163005190	Click to see	426.70	unknown	https://doi.org/10.1016/0031-9422(92)80485-W
(4aS,6aS,6aS,6bR,10S,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,10,11,12,13,14b-dodecahydropicene-4a-carboxylic acid	44576059	Click to see	470.70	unknown	https://doi.org/10.1021/NP50080A002
(4aS,6aS,6aS,6bR,10S,11S,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,10,11,12,13,14b-dodecahydropicene-4a-carboxylic acid	44576060	Click to see CC1(CCC2(CCC3(C(=CCC4C3(CC=C5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C	470.70	unknown	https://doi.org/10.1021/NP50080A002
(E,6R)-6-[(2R,5S)-5-[(2R,5R)-5-[(2S,5R)-5-[(E,2R)-6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-2-methylhept-3-ene-2,6-diol	44585468	Click to see	540.70	unknown	via CMAUP database
(E,6S)-6-[(2R,5S)-5-[(2R,5R)-5-[(2S,5R)-5-[(E,2S)-6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-2-methylhept-3-ene-2,6-diol	10896840	Click to see	540.70	unknown	via CMAUP database
10-Acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid	619165	Click to see	498.70	unknown	https://doi.org/10.1016/0031-9422(83)83058-1
14-Deacetyl eurylene	11786187	Click to see CC(=CCCC(C)(C1CCC(O1)(C)C(CCC(C2(CCC(O2)C(C)(CCC=C(C)C)O)C)OC(=O)C)O)O)C	552.80	unknown	via CMAUP database
3-O-Acetyloleanolic Acid	151202	Click to see	498.70	unknown	https://doi.org/10.1016/0031-9422(83)83058-1
4,4,10,13,14-pentamethyl-17-(6-methylhept-6-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol	163005189	Click to see	426.70	unknown	https://doi.org/10.1016/0031-9422(92)80485-W
Betulinic Acid	64971	Click to see	456.70	unknown	https://doi.org/10.1002/PTR.1088
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	via CMAUP database
Eurylene	179304	Click to see CC(=CCCC(C)(C1CCC(O1)(C)C(CCC(C2(CCC(O2)C(C)(CCC=C(C)C)O)C)OC(=O)C)OC(=O)C)O)C	594.80	unknown	via CMAUP database
Teurilene	185415	Click to see CC(=CCCC(C)(C1CCC(O1)(C)C2CCC(O2)C3(CCC(O3)C(C)(CCC=C(C)C)O)C)O)C	492.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid lactones
(1S,2R,10R,11R,12R,13R,16R)-12-hydroxy-2,6,10,16-tetramethyl-9,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadeca-4,6-diene-3,8,15-trione	10336848	Click to see	332.30	unknown	via CMAUP database
(1S,2R,3R,8S,9S,10R,11S,12R,13R,16R)-3,8,9,12-tetrahydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-5-ene-4,15-dione	44612898	Click to see	366.40	unknown	via CMAUP database
(1S,2R,4R,5S,8S,9S,10R,11R,12R,13R,16R)-4,8,9,12-tetrahydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,15-dione	44612900	Click to see	366.40	unknown	via CMAUP database
(1S,2R,6R,9S,10R,11R,12R,13R,16R)-9,12-dihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-4-ene-3,8,15-trione	76314382	Click to see CC1CC(=O)C(C2(C1=CC(=O)C3(C2C(C4C(C3C(=O)O4)C)O)C)C)O	348.40	unknown	via CMAUP database
5,6-Dehydroeurycomalactone	15173195	Click to see	346.40	unknown	via CMAUP database
6alpha-Hydroxyeurycomalactone	10067332	Click to see	364.40	unknown	via CMAUP database
7alpha-Hydroxyeurycomalactone	46878901	Click to see CC1C2C(C3C4(C(CC(C3(C1C(=O)O2)C)O)C(=CC(=O)C4O)C)C)O	350.40	unknown	via CMAUP database
Eurycolactone E	636592	Click to see	350.40	unknown	via CMAUP database
Eurycomalactone	441793	Click to see CC1C2C(C3C4(C(CC(=O)C3(C1C(=O)O2)C)C(=CC(=O)C4O)C)C)O	348.40	unknown	via CMAUP database
Eurycomalide B	46878940	Click to see	348.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(-)-beta-Sitosterol	222284	Click to see	414.70	unknown	https://doi.org/10.1016/0031-9422(92)80485-W
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/10.1021/NP50080A002 https://doi.org/10.1002/PTR.1088 https://doi.org/10.1016/0031-9422(92)80485-W
beta-Sitosterol 3-O-beta-D-galactopyranoside	296119	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C	576.80	unknown	https://doi.org/10.1021/NP50080A002
Sitogluside	5742590	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C	576.80	unknown	https://doi.org/10.1021/NP50080A002
Stigmast-5-en-3-ol	22012	Click to see	414.70	unknown	https://doi.org/10.1021/NP50080A002 https://doi.org/10.1002/PTR.1088
> Nucleosides, nucleotides, and analogues / Purine nucleosides
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one	6802	Click to see	283.24	unknown	via CMAUP database
Adenosine	60961	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N	267.24	unknown	via CMAUP database
> Nucleosides, nucleotides, and analogues / Pyrimidine nucleosides / Pyrimidine 2-deoxyribonucleosides
Thymidine	5789	Click to see CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O	242.23	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
2-(3-acetyloxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-ylidene)acetic acid	75179650	Click to see CC1CCC2C(C(CCC2(C13CCC(=CC(=O)O)O3)C)OC(=O)C)(C)C	364.50	unknown	https://doi.org/10.1016/J.BMC.2009.11.004
2-[(3S,4aS,7R,8R,8aS)-3-acetyloxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-ylidene]acetic acid	162972774	Click to see CC1CCC2C(C(CCC2(C13CCC(=CC(=O)O)O3)C)OC(=O)C)(C)C	364.50	unknown	https://doi.org/10.1016/J.BMC.2009.11.004
methyl 2-(3-acetyloxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-ylidene)acetate	75179646	Click to see	378.50	unknown	https://doi.org/10.1016/J.BMC.2009.11.004
Negundoin A	46229707	Click to see CC1CCC2C(C(CCC2(C13CCC(=CC(=O)OC)O3)C)OC(=O)C)(C)C	378.50	unknown	https://doi.org/10.1016/J.BMC.2009.11.004
Negundoin B	46229718	Click to see CC1CCC2C(C(CCC2(C13CCC(=CC(=O)O)O3)C)OC(=O)C)(C)C	364.50	unknown	https://doi.org/10.1016/J.BMC.2009.11.004
Vitetrifolin D	11015016	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	via CMAUP database
> Organic acids and derivatives / Organic phosphoric acids and derivatives / Phosphate esters / Aryl phosphates / Aryl phosphotriesters
Tris(2,4-DI-tert-butylphenyl)phosphate	14572930	Click to see	662.90	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
3,4-Dicaffeoylquinic acid	6474309	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O	516.40	unknown	via CMAUP database
4,5-Dicaffeoylquinic acid	5281780	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O	516.40	unknown	via CMAUP database
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	via CMAUP database
cis-Chlorogenic acid	1794425	Click to see	354.31	unknown	via CMAUP database
isochlorogenic acid A	6474310	Click to see	516.40	unknown	via CMAUP database
Neochlorogenic acid	5280633	Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	354.31	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
2-Methyl-6-methyleneoctan-2-ol	87671	Click to see CCC(=C)CCCC(C)(C)O	156.26	unknown	via CMAUP database
Dihydromyrcenol	29096	Click to see CC(CCCC(C)(C)O)C=C	156.26	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
Npc122922	76332505	Click to see	556.60	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
Decanal	8175	Click to see	156.26	unknown	https://doi.org/10.1055/S-2006-959580
Nonanal	31289	Click to see CCCCCCCCC=O	142.24	unknown	https://doi.org/10.1055/S-2006-959580
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes
3,4-Dihydroxybenzaldehyde	8768	Click to see	138.12	unknown	via CMAUP database
4-Hydroxybenzaldehyde	126	Click to see	122.12	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
6-Methyl-5-hepten-2-one	9862	Click to see	126.20	unknown	https://doi.org/10.1055/S-2006-959580
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
(2R)-2,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one	92446370	Click to see COC1=C(C=CC(=C1)C(=O)C(CO)O)O	212.20	unknown	via CMAUP database
1-[5-acetyl-2-hydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]phenyl]-3-methylbutan-1-one	5318238	Click to see	304.40	unknown	via CMAUP database
2-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)ethanone	87530	Click to see	182.17	unknown	via CMAUP database
3-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone	75142	Click to see	196.20	unknown	via CMAUP database
> Organoheterocyclic compounds / Coumarans
Eurycomalin A	102004690	Click to see	406.40	unknown	via CMAUP database
> Organoheterocyclic compounds / Epoxides
(-)-Humulene epoxide II	10704181	Click to see	220.35	unknown	via CMAUP database
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / Xanthines
Caffeine	2519	Click to see CN1C=NC2=C1C(=O)N(C(=O)N2C)C	194.19	unknown	via CMAUP database
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
(1,1,4a,6-tetramethyl-5'-oxospiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-yl) acetate	73095230	Click to see	322.40	unknown	https://doi.org/10.1016/J.BMC.2009.11.004
[(2R,4aR,5S,6S,8aR)-1,1,4a,6-tetramethyl-5'-oxospiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-yl] acetate	162981341	Click to see CC1CCC2C(C(CCC2(C13CCC(=O)O3)C)OC(=O)C)(C)C	322.40	unknown	https://doi.org/10.1021/NP040102T
Vitedoin B	11771639	Click to see CC1CCC2C(C(CCC2(C13CCC(=O)O3)C)OC(=O)C)(C)C	322.40	unknown	https://doi.org/10.1016/J.BMC.2009.11.004 https://doi.org/10.1021/NP040102T
> Organoheterocyclic compounds / Naphthofurans
6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3H-benzo[f][1]benzofuran-2-one	10043572	Click to see	352.30	unknown	https://doi.org/10.1248/CPB.52.1269 https://doi.org/10.1016/J.PHYMED.2004.09.001
> Organoheterocyclic compounds / Naphthopyrans
(1R,5S,6S,7R,8R,11R,13S,17S,18S,19R)-5,7,8,17-tetrahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.05,19.013,18]nonadec-14-ene-4,9,16-trione	78210165	Click to see	408.40	unknown	via CMAUP database
> Organoheterocyclic compounds / Oxanes
1,8-Cineole	2758	Click to see	154.25	unknown	via CMAUP database
> Organoheterocyclic compounds / Pyridines and derivatives / Hydropyridines / Dihydropyridines
Dihydropyridines	407038	Click to see	81.12	unknown	https://doi.org/10.1080/14786410802696494 https://doi.org/10.1016/S0031-9422(00)80420-3
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridinecarboxylic acids and derivatives / Pyridinecarboxylic acids
Nicotinic Acid	938	Click to see	123.11	unknown	via CMAUP database
> Organoheterocyclic compounds / Tetrahydrofurans
[(2R,4aR,5S,5'Z,6S,8aR)-1,1,4a,6-tetramethyl-5'-(2-oxoethylidene)spiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-yl] acetate	163191392	Click to see	348.50	unknown	https://doi.org/10.1016/J.FITOTE.2011.09.012
[(2R,4aR,5S,6S,8aR)-1,1,4a,6-tetramethyl-5'-(2-oxoethylidene)spiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-yl] acetate	162959453	Click to see	348.50	unknown	https://doi.org/10.1016/J.FITOTE.2011.09.012
[1,1,4a,6-tetramethyl-5'-(2-oxoethylidene)spiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-yl] acetate	75146143	Click to see CC1CCC2C(C(CCC2(C13CCC(=CC=O)O3)C)OC(=O)C)(C)C	348.50	unknown	https://doi.org/10.1016/J.BMC.2009.11.004
Negundoin C	46229719	Click to see	348.50	unknown	https://doi.org/10.1016/J.BMC.2009.11.004
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
(7S,8R)-Dihydrodehydrodiconiferyl Alcohol	384679	Click to see	360.40	unknown	https://doi.org/10.1021/NP040102T
4-[3-(Hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol	4365980	Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CCCO	360.40	unknown	https://doi.org/10.1021/NP040102T
Dihydrodehydroconiferyl alcohol, (7R,8S)-(-)-	5274623	Click to see COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CCCO	360.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
Caffeic Acid	689043	Click to see	180.16	unknown	via CMAUP database
cis-Caffeic acid	1549111	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	180.16	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Coumarin glycosides
Scopolin	439514	Click to see COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O	354.31	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins
Fraxidin	3083616	Click to see COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)OC	222.19	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
Scopoletin	5280460	Click to see	192.17	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Depsides and depsidones
[5-(5-Benzoyloxy-3,6,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] benzoate	11006401	Click to see	582.60	unknown	https://doi.org/10.1021/NP0300784
[5-(5-Hydroxy-3,6,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] benzoate	10928896	Click to see	478.40	unknown	https://doi.org/10.1021/NP0300784
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
(+)-Epicatechin	182232	Click to see	290.27	unknown	via CMAUP database
2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	1203	Click to see	290.27	unknown	via CMAUP database
Catechin	9064	Click to see	290.27	unknown	via CMAUP database
Epicatechin	72276	Click to see	290.27	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins / Epigallocatechins
(-)-Gallocatechin	9882981	Click to see	306.27	unknown	via CMAUP database
Gallocatechin	65084	Click to see	306.27	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
(+-)-Naringenin	932	Click to see	272.25	unknown	via CMAUP database
(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one	667495	Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O	272.25	unknown	via CMAUP database
Naringenin	439246	Click to see	272.25	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones
Luteolin	5280445	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O	286.24	unknown	https://doi.org/10.1016/J.BMCL.2006.09.051
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Quercetin	5280343	Click to see	302.23	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)chromen-4-one	6426860	Click to see	448.40	unknown	https://doi.org/10.1016/J.BMCL.2006.09.051
5,7-dihydroxy-8-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(3,4,5-trimethoxyphenyl)chromen-4-one	162822949	Click to see	536.50	unknown	https://doi.org/10.1021/NP50005A019
Isoorientin	114776	Click to see	448.40	unknown	https://doi.org/10.1016/J.BMCL.2006.09.051
Isovitexin	162350	Click to see	432.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one	44257699	Click to see	564.50	unknown	via CMAUP database
Flavosativaside	44257704	Click to see	594.50	unknown	via CMAUP database
Isoschaftoside	3084995	Click to see C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O	564.50	unknown	via CMAUP database
Schaftoside	442658	Click to see C1C(C(C(C(O1)C2=C3C(=C(C(=C2O)C4C(C(C(C(O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)O	564.50	unknown	via CMAUP database
Vitexin	5280441	Click to see	432.40	unknown	via CMAUP database
vitexin 2''-O-beta-D-glucoside	5280641	Click to see	594.50	unknown	via CMAUP database
Vitexin 2''-O-rhamnoside	5282151	Click to see	578.50	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides
methyl (2S,3S,4S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylate	44439687	Click to see	476.40	unknown	https://doi.org/10.1016/J.BMCL.2006.09.051
Methyl 6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylate	73312758	Click to see	476.40	unknown	https://doi.org/10.1016/J.BMCL.2006.09.051
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides
(2S)-5-hydroxy-7-methoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one	162996627	Click to see	594.60	unknown	https://doi.org/10.1248/CPB.52.1269
[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4-oxochromen-5-yl]oxyoxan-2-yl]methyl acetate	162938454	Click to see	564.50	unknown	https://doi.org/10.1021/NP50005A019
[(2R,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4-oxochromen-5-yl]oxyoxan-2-yl]methyl acetate	163188145	Click to see	564.50	unknown	https://doi.org/10.1021/NP50005A019
5-[(2S,3R,4R,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxychromen-4-one	162892086	Click to see CC1C(C(C(C(O1)OC2=C3C(=CC(=C2OC)OC)OC(=C(C3=O)OC)C4=CC(=C(C=C4)OC)OC)O)O)OC5C(C(C(C(O5)CO)O)O)O	696.60	unknown	https://doi.org/10.1055/S-2008-1074853
5-Hydroxy-7-methoxy-2-[4-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one	162996625	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)C4CC(=O)C5=C(C=C(C=C5O4)OC)O)O)O)O)O)O)O	594.60	unknown	https://doi.org/10.1248/CPB.52.1269
7-hydroxy-8-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one	162848170	Click to see	682.60	unknown	https://doi.org/10.1021/NP50005A019
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
3-[(2S,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxychromen-4-one	163051067	Click to see COC1=C(C=C(C=C1O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)O	656.50	unknown	https://doi.org/10.1055/S-2008-1074853
5,7-Dihydroxy-2-(4-Hydroxyphenyl)-3-(3,4,5-Trihydroxy-6-((3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxymethyl)Oxan-2-Yl)Oxychromen-4-One	12313332	Click to see	594.50	unknown	via CMAUP database
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one	20055286	Click to see	594.50	unknown	via CMAUP database
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,4R,5S)-3,4,5-trihydroxy-6-[[(2R,4R,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one	24211973	Click to see	594.50	unknown	via CMAUP database
Hyperoside	5281643	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	via CMAUP database
Kaempferol-3-O-Rutinoside	5318767	Click to see	594.50	unknown	via CMAUP database
Npc7602	44258856	Click to see	534.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
Apigenin 7-O-glucoside	5280704	Click to see	432.40	unknown	via CMAUP database
Apigenin-7-O-Glucoside	12304093	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/10.1080/14786410802696494
Luteolin 7-O-glucoside	5280637	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O	448.40	unknown	https://doi.org/10.1080/14786410802696494
Npc85473	5385553	Click to see	432.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Hydroxyflavonoids / 7-hydroxyflavonoids
Delphinidin Chloride	68245	Click to see	338.69	unknown	via CMAUP database
Flavylium, 3,3',4',5,5',7-hexahydroxy-	128853	Click to see C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O	303.24	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
(2R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-2,3-dihydrochromen-4-one	163001215	Click to see	346.30	unknown	https://doi.org/10.1016/S0031-9422(00)80420-3
(2S)-3',5-Dihydroxy-4',6,7-trimethoxyflavanone	44566966	Click to see	346.30	unknown	https://doi.org/10.1016/S0031-9422(00)80420-3
[2-Methoxy-5-(3,6,7-trimethoxy-4-oxo-5-pent-4-enoyloxychromen-2-yl)phenyl] pent-4-enoate	10886025	Click to see	538.50	unknown	https://doi.org/10.1021/NP0300784
[2-Methoxy-5-(3,6,7-trimethoxy-4-oxo-5-propanoyloxychromen-2-yl)phenyl] propanoate	10961939	Click to see	486.50	unknown	https://doi.org/10.1021/NP0300784
[5-(5-Acetyloxy-3,6,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] acetate	44559651	Click to see	458.40	unknown	https://doi.org/10.1021/NP0300784
[5-(5-Butanoyloxy-3,6,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] butanoate	10885755	Click to see	514.50	unknown	https://doi.org/10.1021/NP0300784
[5-(5-Hexanoyloxy-3,6,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] hexanoate	10438002	Click to see	570.60	unknown	https://doi.org/10.1021/NP0300784
5,3'-Dihydroxy-6,7,4'-Trimethoxyflavanone	13871373	Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O	346.30	unknown	https://doi.org/10.1016/S0031-9422(00)80420-3
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/10.1016/0031-9422(92)80485-W https://doi.org/10.1021/NP50005A019 https://doi.org/10.1021/NP50080A002 https://doi.org/10.1016/J.BMCL.2006.09.051
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/10.1021/NP0300784
Hexamethylquercetagetin	386331	Click to see	402.40	unknown	https://doi.org/10.1021/NP0300784
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 8-O-methylated flavonoids
(2R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7,8-dimethoxy-2,3-dihydrochromen-4-one	154496035	Click to see	346.30	unknown	https://doi.org/10.1016/S0031-9422(00)80420-3
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7,8-dimethoxy-2,3-dihydrochromen-4-one	163189287	Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC)O	346.30	unknown	https://doi.org/10.1016/S0031-9422(00)80420-3
3,5,6,7,8-Pentamethoxy-2-(2-methoxyphenyl)chromen-4-one	54135212	Click to see	402.40	unknown	https://doi.org/10.1021/NP0300784
3,5,6,7,8,3',4'-Heptamethoxyflavone	150893	Click to see	432.40	unknown	via CMAUP database
5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone	13871369	Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC)O	346.30	unknown	https://doi.org/10.1016/S0031-9422(00)80420-3
5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one	177696	Click to see	360.30	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones
Genistein	5280961	Click to see	270.24	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids / 4-O-methylisoflavones
Biochanin A	5280373	Click to see	284.26	unknown	via CMAUP database
biochanin A(1-)	25203224	Click to see	283.25	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Stilbenes
(1S,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol	12468617	Click to see	320.30	unknown	via CMAUP database

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Vitex negundo

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