Scientific name	Authority	First published in
Crucifera isatis	E.H.L.Krause	Deutschl. Fl. Abbild. , ed. 2, 6: 165 (1902)
Isatis alpina	Vill.	Prosp. Hist. Pl. Dauphiné : 38 (1779)
Isatis canescens	DC.	Fl. Franç. , ed. 3, 5: 598 (1815)
Isatis indigotica	Fortune	J. Hort. Soc. London 1: 270 (1846)
Isatis taurica	M.Bieb.	Fl. Taur.-Caucas. 3: 422 (1819)
Isatis tinctoria var. indigotica	(Fortune) T.Y.Cheo & K.C.Kuan	Acta Phytotax. Sin. 16(3): 100 (1978)
Isatis vermia	Papan.	Nordic J. Bot. 2: 555 (1983)
Isatis yezoensis	Ohwi	Acta Phytotax. Geobot. 4: 66 (1935)
Isatis tinctoria var. yezoensis	(Ohwi) Ohwi	Fl. Jap. 568 1953
Isatis oblongata var. yezoensis	(Ohwi) Y.L.Chang	Fl. Pl. Herb. Chin. Bor.-Or. 4: 78 (1980)
Isatis sibirica	Trautv.	Mém. Acad. Imp. Sci. St.-Pétersbourg Divers Savans 4: 305 (1845)
Isatis macrocarpa	B.Fedtsch. ex Nikitina	Fl. Kirgizsk. SSR 6: 189. 1955
Isatis koelzii	Rech.f.	Phyton (Horn) 3: 46 (1951)
Isatis bannatica	Hort.Cremen.74 ex Link	Enum. Hort. Berol. Alt. 2: 149 (1822)
Isatis ciesielskii	Zapał.	Bull. Int. Acad. Sci. Cracovie, Cl. Sci. Math., Sér. B, Sci. Nat. 13: 447 (1913)
Isatis kamienskii	Zapał.	Bull. Int. Acad. Sci. Cracovie, Cl. Sci. Math., Sér. B, Sci. Nat. 13: 447 (1913)
Isatis maritima	Rupr.	Fl. Caucasi : 133 (1869)
Isatis transsilvanica	Simonk	Természetrajzi Füz. 10: 180 (1886)
Isatis tinctoria var. canescens	Gren. & Godr.	Fl. Franç. 1: 134. 1847
Isatis tinctoria var. vulgaris	W.D.J.Koch	Syn. Fl. Germ. Helv. 1: 76. 1836
Isatis tinctoria subsp. canescens	Malag.	1: 401. 401. 1975
Isatis tinctoria subsp. koelzii	(Rech.f.) Jafri	Fl. W. Pakistan 55: 76 (1973)
Isatis tinctoria subsp. tinctoria	L.
Isatis tinctoria subsp. campestris	(Stev. ex DC.) Kulcz.	Fl. Polska, Rosl. Zarod. Polski Ziem Oscienn. 3: 117. 1927
Isatis tinctoria subsp. praecox	(Kit. ex Tratt.) Domin & Podp.	82. 82. 1928
Isatis japonica	Miq.	Ann. Mus. Bot. Lugduno-Batavi 2: 75 (1865)
Isatis vermia	Papanicolaou
Isatis campestris	Steven	Syst. Nat. [Candolle] 2: 571. 1821 [late May 1821]
Isatis funebris	Fed.	Bot. Zhurn. (Moscow & Leningrad) 33: 27 (1948)
Isatis maeotica	DC.	Syst. Nat. 2: 571 (1821)
Isatis reticulata	C.A.Mey.	Beitr. Pflanzenk. Russ. Reiches 6: 52 (1849)
Isatis villarsii	Gaudin	Syn. Fl. Helv. : 526 (1836)
Isatis tinctoria var. praecox	(Kit. ex Tratt.) W.D.J.Koch	1507ed. 2 81 1843
Isatis tinctoria subsp. oblongata	(DC.) N.Busch	Fl. Sibir. et Orient. Extr. 1: 158 1913
Isatis tinctoria subsp. transsilvanica	(Simonk.) Soó	Feddes Repert. 83: 174 (1972)

Common names Top

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Filter by language:

Language	Common/alternative name
English	woad
English	dyer's woad
English	asp of jerusalem
English	glastum
Spanish	glasto
Spanish	glastum
Spanish	hierba pastel
Spanish	isatide
Spanish	yerba pastel
Arabic	وسمة الصباغين
Azerbaijani	boyaq rəngotu
Azerbaijani	boyaq çüyütotu
azb	بویاق چویوت اوْتو
Belarusian	Фарбоўнік
Belarusian	Вайда фарбавальная
Belarusian	Фарбоўнік фарбавальны
Catalan	herba del pastell
Catalan	pastel
Czech	boryt barvířský
Welsh	llysiau lliw
Danish	vajd
Danish	farvevajd
German	färber-waid
German	pastel
German	färberwaid
Esperanto	vajdo
Estonian	harilik sinerõigas
Basque	urdinbelar
Persian	وسمه
Finnish	morsinko
Finnish	värimorsinko
French	pastel des teinturiers
French	guède
French	bleu guède
French	pastel
Hebrew	איסטיס הצבעים
Croatian	ličilarski vrbovnik
Upper Sorbian	barbjerska sywina
Hungarian	németindigó
Hungarian	festő csülleng
Japanese	細葉大青
Japanese	ホソバタイセイ
Kazakh	Бояулы исат
Korean	대청
Cornish	liwles
Cornish	líolaind
Lithuanian	pastel
Norwegian Bokmål	vaid
Norwegian Bokmål	banlangen
Dutch	wede
Norwegian Nynorsk	vaid
oc	pastèl
oc	cocanha
pcd	waide
Polish	urzet barwierski
Portuguese	pastel
Russian	Вайда красильная
Russian	Крутик
Russian	Усьма
Russian	Васмай
Russian	Индиго красильное
Russian	Красильная трава
Russian	Немецкое индиго
Russian	Синильник
Russian	Синиль
Russian	Шарник
Russian	Хурт
Russian	Фарбовник
Slovak	farbovník obyčajný
Swedish	vejde
Swedish	vejd
Swedish	pastel
tg	Ӯсма
Turkish	Çivit otu
Turkish	Çivitotu
Walloon	waisse
za	gohungh
Chinese	大青叶
Chinese	南板蓝根
Chinese	青黛
Chinese	菘蓝
Chinese	板蓝根
Chinese	欧洲菘蓝
Chinese	欧洲菘蓝*(@蓝、草大青）
Chinese	南板蓝叶
Chinese	菘藍

Subspecies (abbr. subsp./ssp.) Top

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Name	Authority	First published in
Isatis tinctoria subsp. athoa	(Boiss.) Papan.	Mount. Fl. Greece 1: 238 (1986)
Isatis tinctoria subsp. corymbosa	(Boiss.) P.H.Davis	Notes Roy. Bot. Gard. Edinburgh 26: 22 1964
Isatis tinctoria subsp. tomentella	(Boiss. & Balansa) P.H.Davis	Notes Roy. Bot. Gard. Edinburgh 26: 22 1964

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

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

Requires Darkness: These seeds need to be covered with soil or otherwise kept in the dark to germinate properly. Light inhibits their germination process.

better germination if seed is stored for 2 years

Distribution (via POWO/KEW) Top

Legend for the distribution data:

- Doubtful data

- Extinct

- Introduced

- Native

Africa click to expand
- Macaronesia
  - Canary Islands
  - Madeira
- Northern Africa
  - Algeria
  - Morocco

Asia-temperate click to expand
- China
  - China North-central
  - China South-central
  - China Southeast
  - Inner Mongolia
  - Manchuria
  - Tibet
  - Xinjiang
- Eastern Asia
  - Japan
  - Korea
- Middle Asia
  - Kazakhstan
  - Kirgizstan
  - Tadzhikistan
  - Uzbekistan
- Mongolia
  - Mongolia
- Russian Far East
  - Amur
  - Khabarovsk
  - Primorye
  - Sakhalin
- Western Asia
  - Afghanistan
  - Iraq
  - Turkey

Asia-tropical click to expand
- Indian Subcontinent
  - Pakistan
  - West Himalaya

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

Northern America click to expand
- Eastern Canada
  - Newfoundland
  - Ontario
  - Québec
- North-central U.S.A.
  - Illinois
  - Missouri
- Northeastern U.S.A.
  - New York
  - West Virginia
- Northwestern U.S.A.
  - Colorado
  - Idaho
  - Montana
  - Oregon
  - Washington
  - Wyoming
- South-central U.S.A.
  - New Mexico
- Southeastern U.S.A.
  - Virginia
- Southwestern U.S.A.
  - California
  - Nevada
  - Utah
- Western Canada
  - British Columbia

Southern America click to expand
- Southern South America
  - Chile Central
- Western South America
  - Peru

Links to other databases Top

Suggest others/fix!

Database	ID/link to page
World Flora Online	wfo-0000732433
UNII	T538276W1L
Canadensys	4059
USDA Plants	ISTI
Tropicos	4101316
INPN	103817
KEW	urn:lsid:ipni.org:names:285873-1
The Plant List	kew-2867046
Missouri Botanical Garden	278069
Open Tree Of Life	631500
Observations.org	6904
NCBI Taxonomy	161756
NBN Atlas	NBNSYS0000002839
Nature Serve	2.138895
IPNI	285873-1
iNaturalist	77509
GBIF	5374118
Freebase	/m/01l8gr
FEIS	plants/forb/isatin
EPPO	ISATI
EOL	583877
Elurikkus	5257
Calflora (Californian flora)	4364
US Library of Congress	sh85147200
USDA GRIN	20462
Wikipedia	Isatis_tinctoria
CMAUP	NPO31050
CMAUP	NPO4554
Plantarium	20911

Genomes (via NCBI) Top

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

Accession	Assembly
Accession	Name	Level	Submitter	Released	Coverage	Size
GCA_010577795.1	ASM1057779v1	Chromosome	Isatis indigotica	2020-02-14	142.7x	280.25 Mb

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

Lineage-specific gene duplication and expansion of DUF1216 gene family in Brassicaceae

Zhang ZB, Xiong T, Wang XJ, Chen YR, Wang JL, Guo CL, Ye ZY

PLoS One

16-Apr-2024

PMCID:	PMC11020792
doi:	10.1371/journal.pone.0302292
PMID:	38626181

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

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

BMC Genomics

08-Apr-2024

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

Upregulated synthesis and production of bioactive compounds in Lotus arabicus L. by in vitro feeding with dried powder of date palm seeds

Elsherif DE, Safhi FA, Khalifa AM, Ragab GA

BMC Plant Biol

27-Mar-2024

PMCID:	PMC10976678
doi:	10.1186/s12870-024-04919-7
PMID:	38539110

Shuganning Injection Suppresses Apoptosis for Protecting Against Cantharidin-Induced Liver Injury by Network Pharmacology and Experiment Validation

Duan X, Ao J, Yu M, Li S, Li X, Zhang J

ACS Omega

12-Mar-2024

PMCID:	PMC10976354
doi:	10.1021/acsomega.3c07981
PMID:	38559921

Aethionema arabicum dimorphic seed trait resetting during transition to seedlings

Arshad W, Steinbrecher T, Wilhelmsson PK, Fernandez-Pozo N, Pérez M, Mérai Z, Rensing SA, Chandler JO, Leubner-Metzger G

Front Plant Sci

08-Mar-2024

PMCID:	PMC10957558
doi:	10.3389/fpls.2024.1358312
PMID:	38525145

Inhibitory Efficacy of Main Components of Scutellaria baicalensis on the Interaction between Spike Protein of SARS-CoV-2 and Human Angiotensin-Converting Enzyme II

Lin CH, Chang HJ, Lin MW, Yang XR, Lee CH, Lin CS

Int J Mol Sci

02-Mar-2024

PMCID:	PMC10932139
doi:	10.3390/ijms25052935
PMID:	38474182

Integrating artificial intelligence into the modernization of traditional Chinese medicine industry: a review

Zhou E, Shen Q, Hou Y

Front Pharmacol

23-Feb-2024

PMCID:	PMC10921893
doi:	10.3389/fphar.2024.1181183
PMID:	38464717

Ethnobotanical study of medicinal plants used by the Yi people in Mile, Yunnan, China

Li H, Huang C, Li Y, Wang P, Sun J, Bi Z, Xia S, Xiong Y, Bai X, Huang X

J Ethnobiol Ethnomed

23-Feb-2024

PMCID:	PMC10893717
doi:	10.1186/s13002-024-00656-1
PMID:	38395900

The evolution of ephemeral flora in Xinjiang, China: insights from plastid phylogenomic analyses of Brassicaceae

Xiao TW, Song F, Vu DQ, Feng Y, Ge XJ

BMC Plant Biol

15-Feb-2024

PMCID:	PMC10868009
doi:	10.1186/s12870-024-04796-0
PMID:	38360561

Photochromic derivatives of indigo: historical overview of development, challenges and applications

Kaplan G, Seferoğlu Z, Berdnikova DV

Beilstein J Org Chem

07-Feb-2024

PMCID:	PMC10862137
doi:	10.3762/bjoc.20.23
PMID:	38352070

Multi-omics analysis on the mechanism of the effect of Isatis leaf on the growth performance of fattening sheep

Cao Z, Yi M, Zhou J, Zhang Z, Liu Z, Yang C, Sun S, Wang L, Ling Y, Zhang Z, Cao H

Front Vet Sci

07-Feb-2024

PMCID:	PMC10879442
doi:	10.3389/fvets.2024.1332457
PMID:	38384949

Polyploidization: A Biological Force That Enhances Stress Resistance

Li X, Zhang L, Wei X, Datta T, Wei F, Xie Z

Int J Mol Sci

06-Feb-2024

PMCID:	PMC10888447
doi:	10.3390/ijms25041957
PMID:	38396636

Genome-Wide Identification of MYC Transcription Factors and Their Potential Functions in the Growth and Development Regulation of Tree Peony (Paeonia suffruticosa)

Wang Q, Li B, Qiu Z, Lu Z, Hang Z, Wu F, Chen X, Zhu X

Plants (Basel)

02-Feb-2024

PMCID:	PMC10857424
doi:	10.3390/plants13030437
PMID:	38337970

Integrated transcriptomics and metabolomics analysis provides insights into aromatic volatiles formation in Cinnamomum cassia bark at different harvesting times

Yao S, Tan X, Huang D, Li L, Chen J, Ming R, Huang R, Yao C

BMC Plant Biol

02-Feb-2024

PMCID:	PMC10835945
doi:	10.1186/s12870-024-04754-w
PMID:	38308239

Characterization of NAC Gene Family in Ammopiptanthus mongolicus and Functional Analysis of AmNAC24, an Osmotic and Cold-Stress-Induced NAC Gene

Dorjee T, Cui Y, Zhang Y, Liu Q, Li X, Sumbur B, Yan H, Bing J, Geng Y, Zhou Y, Gao F

Biomolecules

02-Feb-2024

PMCID:	PMC10886826
doi:	10.3390/biom14020182
PMID:	38397419

Phytochemical Profile Top

Add a new one!

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

Name	PubChem ID	Canonical SMILES	MW	Found in	Proof
> Alkaloids and derivatives
(1R,4Z,6R,7S)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione	23305122	Click to see CC=C1CC(C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(CO)O)C	367.40	unknown	via CMAUP database
> Benzenoids / Anthracenes / Anthraquinones / Hydroxyanthraquinones
Emodin	3220	Click to see CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O	270.24	unknown	https://doi.org/10.1016/S0040-4020(97)00846-6
Emodin 1-glucoside	13084799	Click to see CC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)O	432.40	unknown	https://doi.org/10.1016/S0040-4020(97)00846-6
Emodin 1-O-beta-D-glucoside	5319333	Click to see CC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)O	432.40	unknown	https://doi.org/10.1016/S0040-4020(97)00846-6
> Benzenoids / Benzene and substituted derivatives / Anilides / Aromatic anilides
2-(4-Oxo-1,4-dihydroquinoline-3-ylcarbonylamino)benzoic acid methyl ester	17715333	Click to see COC(=O)C1=CC=CC=C1NC(=O)C2=CNC3=CC=CC=C3C2=O	322.30	unknown	via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Acylaminobenzoic acid and derivatives
Methyl N-formylanthranilate	162458	Click to see COC(=O)C1=CC=CC=C1NC=O	179.17	unknown	https://doi.org/10.1055/S-2006-959577
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Aminobenzoic acids and derivatives / Aminobenzoic acids
4-Aminobenzoic acid	978	Click to see C1=CC(=CC=C1C(=O)O)N	137.14	unknown	via CMAUP database
Anthranilic acid	227	Click to see C1=CC=C(C(=C1)C(=O)O)N	137.14	unknown	https://doi.org/10.1055/S-2006-959577 https://doi.org/10.1055/S-2006-957604
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
Methyl 2-(carbamoylamino)benzoate	258711	Click to see COC(=O)C1=CC=CC=C1NC(=O)N	194.19	unknown	https://doi.org/10.1055/S-2006-959577
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acids
2-(Formylamino)benzoic acid	101399	Click to see C1=CC=C(C(=C1)C(=O)O)NC=O	165.15	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
Benzoic Acid	243	Click to see C1=CC=C(C=C1)C(=O)O	122.12	unknown	https://doi.org/10.1055/S-2006-957604
> 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/10.1055/S-2006-958019
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
Syringic acid	10742	Click to see COC1=CC(=CC(=C1O)OC)C(=O)O	198.17	unknown	https://doi.org/10.1055/S-2006-957604
> 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/10.1055/S-2006-958019
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / O-methoxybenzoic acids and derivatives
2-Methoxybenzoic acid	11370	Click to see COC1=CC=CC=C1C(=O)O	152.15	unknown	https://doi.org/10.1055/S-2006-958019
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / P-methoxybenzoic acids and derivatives
p-Anisic acid	7478	Click to see COC1=CC=C(C=C1)C(=O)O	152.15	unknown	https://doi.org/10.1055/S-2006-958019
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Salicylic acid and derivatives / Salicylic acids
Salicylate	54675850	Click to see C1=CC=C(C(=C1)C(=O)O)[O-]	137.11	unknown	via CMAUP database
Salicylic Acid	338	Click to see C1=CC=C(C(=C1)C(=O)O)O	138.12	unknown	https://doi.org/10.1055/S-2006-957604 https://doi.org/10.1055/S-2006-958019
> Benzenoids / Benzene and substituted derivatives / Methoxybenzenes / Dimethoxybenzenes
Methyleugenol	7127	Click to see COC1=C(C=C(C=C1)CC=C)OC	178.23	unknown	via CMAUP database
> Benzenoids / Phenanthrenes and derivatives
Salutaridine	5408233	Click to see CN1CCC23C=C(C(=O)C=C2C1CC4=C3C(=C(C=C4)OC)O)OC	327.40	unknown	via CMAUP database
> Benzenoids / Phenols / 1-hydroxy-2-unsubstituted benzenoids
3-(4-Hydroxyphenyl)-1-propanol	82452	Click to see C1=CC(=CC=C1CCCO)O	152.19	unknown	via CMAUP database
4-Allylphenol	68148	Click to see C=CCC1=CC=C(C=C1)O	134.17	unknown	via CMAUP database
4-Hydroxyphenylacetic acid	127	Click to see C1=CC(=CC=C1CC(=O)O)O	152.15	unknown	https://doi.org/10.1055/S-2006-958019
> Benzenoids / Phenols / Benzenediols / Catechols
Catechol	289	Click to see C1=CC=C(C(=C1)O)O	110.11	unknown	via CMAUP database
> Benzenoids / Phenols / Methoxyphenols
(E)-3-(3,5-Dimethoxy-4-hydroxybenzylidene)indoline-2-one	2437106	Click to see COC1=CC(=CC(=C1O)OC)C=C2C3=CC=CC=C3NC2=O	297.30	unknown	via CMAUP database
(E)-3-(3',5'-Dimethoxy-4'-hydroxybenzylidene)-2-indolinone	2437104	Click to see COC1=CC(=CC(=C1O)OC)C=C2C3=CC=CC=C3NC2=O	297.30	unknown	https://doi.org/10.1055/S-2006-957604
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)(113C)prop-2-enal	10987510	Click to see COC1=CC(=CC(=C1O)OC)C=CC=O	209.20	unknown	via CMAUP database
2-Methoxy-4-vinylphenol	332	Click to see COC1=C(C=CC(=C1)C=C)O	150.17	unknown	via CMAUP database
3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one	5112012	Click to see COC1=CC(=CC(=C1O)OC)C=C2C3=CC=CC=C3NC2=O	297.30	unknown	https://doi.org/10.1055/S-2006-957604
Dihydroconiferyl alcohol	16822	Click to see COC1=C(C=CC(=C1)CCCO)O	182.22	unknown	via CMAUP database
Eugenol	3314	Click to see COC1=C(C=CC(=C1)CC=C)O	164.20	unknown	via CMAUP database
Syringaldehyde	8655	Click to see COC1=CC(=CC(=C1O)OC)C=O	182.17	unknown	https://doi.org/10.1055/S-2006-949964 https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
> Benzenoids / Phenols / Tyrosols and derivatives / Tyrosols
Tyrosol	10393	Click to see C1=CC(=CC=C1CCO)O	138.16	unknown	via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Nonacosane	12409	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCC	408.80	unknown	https://doi.org/10.4268/CJCMM20100812
> Lignans, neolignans and related compounds / Aryltetralin lignans / 9,9p-dihydroxyaryltetralin lignans
5-Methoxy-isolarisiresinol, (+)-	21574504	Click to see COC1=CC(=CC(=C1O)OC)C2C(C(CC3=CC(=C(C=C23)O)OC)CO)CO	390.40	unknown	via CMAUP database
Isolariciresinol, (+)-	160521	Click to see COC1=C(C=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O	360.40	unknown	via CMAUP database
> Lignans, neolignans and related compounds / Dibenzylbutane lignans
Secoisolariciresinol tetraacetate	14521049	Click to see CC(=O)OCC(CC1=CC(=C(C=C1)OC(=O)C)OC)C(CC2=CC(=C(C=C2)OC(=O)C)OC)COC(=O)C	530.60	unknown	via CMAUP database
> Lignans, neolignans and related compounds / Dibenzylbutane lignans / Dibenzylbutanediol lignans
(+)-Secoisolariciresinol	6336781	Click to see COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)CO)O	362.40	unknown	via CMAUP database
7-Hydroxysecoisolariciresinol	44566585	Click to see COC1=C(C=CC(=C1)CC(CO)C(CO)C(C2=CC(=C(C=C2)O)OC)O)O	378.40	unknown	via CMAUP database
Secoisolariciresinol	65373	Click to see COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)CO)O	362.40	unknown	via CMAUP database
> Lignans, neolignans and related compounds / Furanoid lignans
(-) Syringaresinol	332426	Click to see COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC	418.40	unknown	via CMAUP database
(-)-Epipinoresinol	12309639	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.PHYTOCHEM.2009.04.019
(-)-Pinoresinol	12309636	Click to see COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O	358.40	unknown	via CMAUP database
(-)-Syringaresinol	11604108	Click to see COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC	418.40	unknown	via CMAUP database
4-[(3aS,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol	137705081	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.PHYTOCHEM.2009.04.019
4-[(3R,3aR,6R,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol	12309637	Click to see COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O	358.40	unknown	via CMAUP database
4-[(3S,3aR,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol	332425	Click to see COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC	388.40	unknown	via CMAUP database
4-[3-(4-Hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol	4546425	Click to see COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC	388.40	unknown	via CMAUP database
4-[6-(4-Hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol	234817	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.PHYTOCHEM.2009.04.019
CID 17750970	17750970	Click to see COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O	358.40	unknown	via CMAUP database
Epipinoresinol	637584	Click to see COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O	358.40	unknown	via CMAUP database
Medioresinol	181681	Click to see COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC	388.40	unknown	via CMAUP database
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/10.1055/S-2006-949964
Syringaresinol	100067	Click to see COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC	418.40	unknown	via CMAUP database
Syringaresinol, (+)-	443023	Click to see COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC	418.40	unknown	via CMAUP database
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 7,9-epoxylignans
(-)-Lariciresinol	23815394	Click to see COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O	360.40	unknown	via CMAUP database
Lariciresinol	332427	Click to see COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O	360.40	unknown	via CMAUP database
Tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-4-((4-hydroxy-3-methoxyphenyl)methyl)-3-furanmethanol	134203	Click to see COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O	360.40	unknown	via CMAUP database
> Lignans, neolignans and related compounds / Lignan glycosides
Clemastanin B	10009802	Click to see COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)OC5C(C(C(C(O5)CO)O)O)O	684.70	unknown	via CMAUP database
Indigoticoside A	101770262	Click to see COC1=C(C=CC(=C1)CC2COCC2C(C3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)O)OC5C(C(C(C(O5)CO)O)O)O	684.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
Arachidic Acid	10467	Click to see CCCCCCCCCCCCCCCCCCCC(=O)O	312.50	unknown	https://doi.org/10.1055/S-2006-949964 https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
Icos-2-enoic acid	3035221	Click to see CCCCCCCCCCCCCCCCCC=CC(=O)O	310.50	unknown	https://doi.org/10.1055/S-2006-949964
Myristic Acid	11005	Click to see CCCCCCCCCCCCCC(=O)O	228.37	unknown	https://doi.org/10.1055/S-2006-958019
Oleic Acid	445639	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	282.50	unknown	https://doi.org/10.1055/S-2006-949964 https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
Palmitic Acid	985	Click to see CCCCCCCCCCCCCCCC(=O)O	256.42	unknown	https://doi.org/10.1055/S-2006-958019 https://doi.org/10.1055/S-2006-949964 https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
Palmitoleic Acid	445638	Click to see CCCCCCC=CCCCCCCCC(=O)O	254.41	unknown	https://doi.org/10.1055/S-2006-949964 https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
Pentadecanoic acid	13849	Click to see CCCCCCCCCCCCCCC(=O)O	242.40	unknown	https://doi.org/10.1055/S-2006-958019
Stearic Acid	5281	Click to see CCCCCCCCCCCCCCCCCC(=O)O	284.50	unknown	https://doi.org/10.1055/S-2006-949964 https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019 https://doi.org/10.1055/S-2006-958019
trans-11-Eicosenoic acid	5282769	Click to see CCCCCCCCC=CCCCCCCCCCC(=O)O	310.50	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
Adipic Acid	196	Click to see C(CCC(=O)O)CC(=O)O	146.14	unknown	https://doi.org/10.1055/S-2006-958019
Azelaic Acid	2266	Click to see C(CCCC(=O)O)CCCC(=O)O	188.22	unknown	https://doi.org/10.1055/S-2006-958019
Capric Acid	2969	Click to see CCCCCCCCCC(=O)O	172.26	unknown	https://doi.org/10.1055/S-2006-958019
Lauric Acid	3893	Click to see CCCCCCCCCCCC(=O)O	200.32	unknown	https://doi.org/10.1055/S-2006-958019
Nonanoic acid	8158	Click to see CCCCCCCCC(=O)O	158.24	unknown	https://doi.org/10.1055/S-2006-958019
Sebacic Acid	5192	Click to see C(CCCCC(=O)O)CCCC(=O)O	202.25	unknown	https://doi.org/10.1055/S-2006-958019
Suberic acid	10457	Click to see C(CCCC(=O)O)CCC(=O)O	174.19	unknown	https://doi.org/10.1055/S-2006-958019
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids
13-Docosenoic acid	8216	Click to see CCCCCCCCC=CCCCCCCCCCCCC(=O)O	338.60	unknown	https://doi.org/10.1002/RECL.19410601209
Erucic Acid	5281116	Click to see CCCCCCCCC=CCCCCCCCCCCCC(=O)O	338.60	unknown	https://doi.org/10.1002/RECL.19410601209
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
4-hydroxy-3,5,5-trimethyl-4-[(E,3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one	6325925	Click to see CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C	386.40	unknown	https://doi.org/10.1055/S-2006-959577
Byzantionoside B	14135395	Click to see CC1=CC(=O)CC(C1CCC(C)OC2C(C(C(C(O2)CO)O)O)O)(C)C	372.50	unknown	https://doi.org/10.1055/S-2006-959577
Roseoside	9930064	Click to see CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C	386.40	unknown	https://doi.org/10.1055/S-2006-959577
> Lipids and lipid-like molecules / Fatty Acyls / Fatty amides
Pent-4-enamide	11815293	Click to see C=CCCC(=O)N	99.13	unknown	via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
(10E,12E,14E,16R)-16-hydroxy-9-oxooctadeca-10,12,14-trienoic acid	162903630	Click to see CCC(C=CC=CC=CC(=O)CCCCCCCC(=O)O)O	308.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
(10E,12E,14E,16S)-16-hydroxy-9-oxooctadeca-10,12,14-trienoic acid	22956671	Click to see CCC(C=CC=CC=CC(=O)CCCCCCCC(=O)O)O	308.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
(9R,10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid	23724713	Click to see CCC=CCC=CC=CC(CCCCCCCC(=O)O)O	294.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
16-Hydroxy-9-oxooctadeca-10,12,14-trienoic acid	57137439	Click to see CCC(C=CC=CC=CC(=O)CCCCCCCC(=O)O)O	308.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
6,9,12-Octadecatrienoic acid	3453	Click to see CCCCCC=CCC=CCC=CCCCCC(=O)O	278.40	unknown	via CMAUP database
9-Hydroxy-10,12,15-octadecatrienoic acid	6439873	Click to see CCC=CCC=CC=CC(CCCCCCCC(=O)O)O	294.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
9-OxoOTrE	11380794	Click to see CCC=CCC=CC=CC(=O)CCCCCCCC(=O)O	292.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
9,12-Octadecadienoic acid, (E,Z)-	5282798	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
9,12,15-Octadecatrienoic acid	860	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O	278.40	unknown	https://doi.org/10.1002/RECL.19410601209
gamma-Linolenic acid	5280933	Click to see CCCCCC=CCC=CCC=CCCCCC(=O)O	278.40	unknown	via CMAUP database
Linoleic Acid	5280450	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	https://doi.org/10.1055/S-2006-949964 https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
Linolenic Acid	5280934	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O	278.40	unknown	https://doi.org/10.1002/RECL.19410601209 https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
Octadeca-9,12,15-trienoic acid	5282822	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O	278.40	unknown	https://doi.org/10.1055/S-2006-949964
> Lipids and lipid-like molecules / Glycerolipids / Glycosylglycerols / Glycosylmonoacylglycerols
(9Z,12Z,15Z)-(S)-2-Hydroxy-3-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)propyl octadeca-9,12,15-trienoate	67458951	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)O	514.60	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
[2-Hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] octadeca-9,12,15-trienoate	72984398	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)O	514.60	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
Ineketone	188456	Click to see CC1(CCCC2C1(CC(=O)C3=CC(CC(C23C)O)(C)C=C)O)C	318.40	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Tigliane and ingenane diterpenoids
[(1S,4S,5R,6R,9S,14R)-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl hexadecanoate	5318035	Click to see CCCCCCCCCCCCCCCC(=O)OCC1=CC2C3C(C3(C)C)CC(C4(C2=O)C=C(C(C4(C1O)O)O)C)C	586.80	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
3,7-Dimethyl-2,6-octadien-1-al	8843	Click to see CC(=CCCC(=CC=O)C)C	152.23	unknown	via CMAUP database
Myrcene	31253	Click to see CC(=CCCC(=C)C=C)C	136.23	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
(+)-alpha-Phellandrene	443160	Click to see CC1=CCC(C=C1)C(C)C	136.23	unknown	via CMAUP database
(+)-cis-Isopulegone	443529	Click to see CC1CCC(C(=O)C1)C(=C)C	152.23	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
Limonene, (-)-	439250	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(6R)-dehydrovomifoliol	688494	Click to see CC1=CC(=O)CC(C1(C=CC(=O)C)O)(C)C	222.28	unknown	via CMAUP database
(6S,9S)-vomifoliol	10537120	Click to see CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C	224.30	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
4-Hydroxy-4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-2-en-1-one	440244	Click to see CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C	224.30	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
Dehydrovomifoliol	688492	Click to see CC1=CC(=O)CC(C1(C=CC(=O)C)O)(C)C	222.28	unknown	via CMAUP database
Dihydro-beta-ionone	519382	Click to see CC1=C(C(CCC1)(C)C)CCC(=O)C	194.31	unknown	via CMAUP database
Vomifoliol	5280462	Click to see CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C	224.30	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Abscisic acids and derivatives
(-)-Abscisic acid	643732	Click to see CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C	264.32	unknown	via CMAUP database
(+)-Abscisic acid	5375200	Click to see CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C	264.32	unknown	via CMAUP database
5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid	287291	Click to see CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C	264.32	unknown	via CMAUP database
Abscisic acid	5280896	Click to see CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C	264.32	unknown	via CMAUP database
Dormin	5375199	Click to see CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C	264.32	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
(2S,4aR)-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-1-one	5318492	Click to see CC1=CCCC2(C1C(=O)C(CC2)C(C)C)C	220.35	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids / Scalarane sesterterpenoids
Myricadiol	3084282	Click to see CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)CO)C	442.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aS,14bR)-8a-[(2S,3R,4S,5R)-3-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid	23304705	Click to see CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C=O)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)(C)C)O)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)O	1351.40	unknown	via CMAUP database
methyl (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,8aR,10R,12aS,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-9,10-bis[[(Z)-2-methylbut-2-enoyl]oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylate	11969009	Click to see CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2O)O)C)C)(C)C(=O)OC)OC6C(C(C(C(O6)C(=O)OC)O)OC7C(C(C(CO7)O)O)O)O)C)CO)OC(=O)C(=CC)C	1037.20	unknown	via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
9-cis-Lutein	131801655	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C	568.90	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
9'-cis-Lutein	131801656	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C	568.90	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
Lutein	5281243	Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C	568.90	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol	51340201	Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO	442.70	unknown	via CMAUP database
(3aR,5aR,5bR,7aR,11aR,11bR,13aS)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-3,4,5,6,7,7a,10,11,11b,12,13,13a-dodecahydro-2H-cyclopenta[a]chrysen-9-one	17751023	Click to see CC(C)C1=C2C3CCC4C5(CCC(=O)C(C5CCC4(C3(CCC2(CC1)C)C)C)(C)C)C	424.70	unknown	via CMAUP database
Monogynol B (6CI)	44586882	Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C	426.70	unknown	via CMAUP database
norquadrangularic acid A	10790237	Click to see CC(CCC(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)C(CC(C5(C)C(=O)O)O)O)C)C	462.60	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
Ursolic Acid	64945	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O	456.70	unknown	https://doi.org/10.1055/S-2006-949964 https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
Ursolic acid acetate	6475119	Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C(=O)O	498.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Androstane steroids / Androgens and derivatives
16-(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	53399246	Click to see CCC(CCC(C)C1CC2C3CC=C4CC(CCC4(C3CCC2(C1)C)C)O)C(C)C	414.70	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Estrane steroids / Estrogens and derivatives
6-[(3,5-Dimethylphenyl)methyl]-5-ethyl-1-[[4-[2-(13-ethyl-17-hydroxy-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethynyl]phenyl]methoxymethyl]pyrimidine-2,4-dione	49769955	Click to see CCC1=C(N(C(=O)NC1=O)COCC2=CC=C(C=C2)C#CC3(CCC4C3(CCC5C4CCC6=CC(=O)CCC56)CC)O)CC7=CC(=CC(=C7)C)C	688.90	unknown	via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S)-17-[(2R,5R)-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-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol	52940117	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C	576.80	unknown	via CMAUP database
(3S,8R,9R,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	636741	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	via CMAUP database
3beta-(alpha-D-Glucopyranosyloxy)stigmasta-5-ene	12309073	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C	576.80	unknown	via CMAUP database
Clionasterol	457801	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	414.70	unknown	via CMAUP database
Sitogluside	5742590	Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C	576.80	unknown	via CMAUP database
> Nucleosides, nucleotides, and analogues / Purine nucleosides
(2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol	54732806	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N	267.24	unknown	via CMAUP database
2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol	191	Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N	267.24	unknown	https://doi.org/10.1016/J.FITOTE.2010.10.016 https://doi.org/10.1055/S-2006-959577
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one	6802	Click to see C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N	283.24	unknown	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	https://doi.org/10.1016/J.FITOTE.2010.10.016 https://doi.org/10.1055/S-2006-959577
> Nucleosides, nucleotides, and analogues / Pyrimidine nucleosides
1-((2r,5r)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1h-pyrimidine-2,4-dione	45356795	Click to see C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O	244.20	unknown	via CMAUP database
Cytidine	6175	Click to see C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O	243.22	unknown	via CMAUP database
Uridine	6029	Click to see C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O	244.20	unknown	https://doi.org/10.1055/S-2006-959577
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives
Cis-Cyclo(Leucyl-Tyrosyl)	15550385	Click to see CC(C)CC1C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O	276.33	unknown	via CMAUP database
Cyclo(L-leucyl-L-phenylalanyl)	7076347	Click to see CC(C)CC1C(=O)NC(C(=O)N1)CC2=CC=CC=C2	260.33	unknown	via CMAUP database
cyclo(L-tyrosyl-L-phenylalanyl)	11438306	Click to see C1=CC=C(C=C1)CC2C(=O)NC(C(=O)N2)CC3=CC=C(C=C3)O	310.30	unknown	via CMAUP database
L-Pyroglutamic acid	7405	Click to see C1CC(=O)NC1C(=O)O	129.11	unknown	via CMAUP database
Maculosin	119404	Click to see C1CC2C(=O)NC(C(=O)N2C1)CC3=CC=C(C=C3)O	260.29	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acid amides
1,6-(2-Oxoindoline-3,3-diyltrimethylene)-2-methyl-4(1H)-oxo-5,6-dihydronicotinic acid	5318488	Click to see CC1=C(C(=O)CC2N1C3(CCC2)C4=CC=CC=C4NC3=O)C(=O)O	326.30	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids
Nomega-Nitro-L-arginine	4367	Click to see C(CC(C(=O)O)N)CN=C(N)N[N+](=O)[O-]	219.20	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / L-alpha-amino acids
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydron	88031296	Click to see [H+].C(CC(C(=O)O)N)CN=C(N)N	175.21	unknown	via CMAUP database
2-Amino-5-guanidino-pentanoic acid	444360	Click to see C(CC(C(=O)O)[NH3+])C[NH+]=C(N)N	176.22	unknown	via CMAUP database
Arginine	6322	Click to see C(CC(C(=O)O)N)CN=C(N)N	174.20	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Proline and derivatives
(2S)-1-[(2Z)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]pyrrolidin-1-ium-2-carboxylate	71308222	Click to see C1CC([N+](=CC=C2CC(NC(=C2)C(=O)O)C(=O)O)C1)C(=O)[O-]	308.29	unknown	via CMAUP database
(2S)-pyrrolidin-1-ium-2-carboxylate	6971047	Click to see C1CC([NH2+]C1)C(=O)[O-]	115.13	unknown	via CMAUP database
D-proline	8988	Click to see C1CC(NC1)C(=O)O	115.13	unknown	via CMAUP database
DL-Proline	614	Click to see C1CC(NC1)C(=O)O	115.13	unknown	via CMAUP database
DL-Pyroglutamic acid	499	Click to see C1CC(=O)NC1C(=O)O	129.11	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Valine and derivatives
(2S)-2-amino-3-methylbutanoate;hydron	88733505	Click to see [H+].CC(C)C(C(=O)[O-])N	117.15	unknown	via CMAUP database
D-Valine	71563	Click to see CC(C)C(C(=O)O)N	117.15	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Amino acids and derivatives / Gamma amino acids and derivatives
4-Aminobutanoate	6992099	Click to see C(CC(=O)[O-])C[NH3+]	103.12	unknown	via CMAUP database
Oseltamivir	65028	Click to see CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC	312.40	unknown	https://doi.org/10.1021/NP3002833
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides
(Z)-10-[hydroxy-[(5S)-5-[[(2R,3S)-3-hydroxy-2-[(2-hydroxybenzoyl)amino]butanoyl]amino]-6-[(2R,3S)-1-[[(3R)-1-hydroxy-2-oxoazepan-3-yl]amino]-2-methyl-1-oxopentan-3-yl]oxy-6-oxohexyl]amino]-10-oxodec-8-enoic acid	163190360	Click to see CCC(C(C)C(=O)NC1CCCCN(C1=O)O)OC(=O)C(CCCCN(C(=O)C=CCCCCCCC(=O)O)O)NC(=O)C(C(C)O)NC(=O)C2=CC=CC=C2O	805.90	unknown	https://doi.org/10.1016/S0040-4039(01)02015-9
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
2-Oxo-2-oxonioacetate	18676629	Click to see [H+].[H+].C(=O)(C(=O)[O-])[O-]	90.03	unknown	via CMAUP database
Oxalic acid-13C2 dihydrate	16213469	Click to see C(=O)(C(=O)O)O.O.O	128.05	unknown	via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Pentacarboxylic acids and derivatives
[(2S,3S,4R)-4-methoxy-6-oxo-2-[(E,3S,5R,6S)-3,5,6-triacetyloxyhept-1-enyl]oxan-3-yl] acetate	101267306	Click to see CC(C(CC(C=CC1C(C(CC(=O)O1)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	458.50	unknown	https://doi.org/10.1055/S-2006-959577
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
2-(Carboxymethyl)-2-hydroxybutanedioate;hydron	88113319	Click to see [H+].[H+].C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O	192.12	unknown	via CMAUP database
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
(2S)-2-Hydroxybutanedioic acid	222656	Click to see C(C(C(=O)O)O)C(=O)O	134.09	unknown	via CMAUP database
D-malate	92824	Click to see C(C(C(=O)O)O)C(=O)O	134.09	unknown	via CMAUP database
Hydron;2-hydroxybutanedioate	20130941	Click to see [H+].[H+].C(C(C(=O)[O-])O)C(=O)[O-]	134.09	unknown	via CMAUP database
> Organic acids and derivatives / Keto acids and derivatives / Alpha-keto acids and derivatives
2-(4-Methoxycyclohexa-1,3-dien-1-yl)-2-oxoacetic acid	29927927	Click to see COC1=CC=C(CC1)C(=O)C(=O)O	182.17	unknown	via CMAUP database
> Organic acids and derivatives / Organic sulfuric acids and derivatives / Arylsulfates
potassium 1H-indol-3-yl sulfate	5177095	Click to see C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)[O-].[K+]	251.30	unknown	via CMAUP database
> Organic acids and derivatives / Peptidomimetics / Depsipeptides / Cyclic depsipeptides
(2R)-2alpha-Methyl-3,4,7,8-tetrahydro-2H,5H-pyrano[4,3-b]-1,4-oxazine-3,5-dione	60156056	Click to see CC1C(=O)NC2=C(O1)CCOC2=O	183.16	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
Chlorogenate anion	1794426	Click to see C1C(C(C(CC1(C(=O)[O-])O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O	353.30	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 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 / Carbohydrates and carbohydrate conjugates / Glucosinolates / Alkylglucosinolates
(2S)-2-Hydroxy-3-butenyl-glucosinolate	12309644	Click to see C=CC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)O	389.40	unknown	https://doi.org/10.1016/S0040-4039(01)02015-9
[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate	163187319	Click to see C1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	448.50	unknown	https://doi.org/10.1016/S0040-4039(01)02015-9
[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-N-sulfooxypent-4-enimidothioate	160243631	Click to see C=CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	373.40	unknown	https://doi.org/10.1016/S0040-4039(01)02015-9
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-4-methylsulfanyl-N-sulfooxybutanimidothioate	5748606	Click to see CSCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	407.50	unknown	via CMAUP database
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-phenyl-N-sulfooxyethanimidothioate	656498	Click to see C1=CC=C(C=C1)CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O	409.40	unknown	via CMAUP database
[(3R,5Z)-5-sulfooxyimino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpent-1-en-3-yl] 2-(2-oxo-1,3-dihydroindol-3-yl)acetate	101150466	Click to see C=CC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)OC(=O)CC2C3=CC=CC=C3NC2=O	562.60	unknown	https://doi.org/10.1016/S0040-4039(01)02015-9
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1-methoxyindol-3-yl)-N-sulfooxyethanimidothioate	4480094	Click to see CON1C=C(C2=CC=CC=C21)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	478.50	unknown	https://doi.org/10.1016/S0040-4039(01)02015-9
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate	547456	Click to see C1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	448.50	unknown	https://doi.org/10.1016/S0040-4039(01)02015-9
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-hydroxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate	4479916	Click to see C1=CC2=C(C(=C1)O)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	464.50	unknown	https://doi.org/10.1016/S0040-4039(01)02015-9
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-sulfooxypent-4-enimidothioate	4479905	Click to see C=CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	373.40	unknown	https://doi.org/10.1016/S0040-4039(01)02015-9
[5-Sulfooxyimino-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpent-1-en-3-yl] 2-(2-oxo-1,3-dihydroindol-3-yl)acetate	73798929	Click to see C=CC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)OC(=O)CC2C3=CC=CC=C3NC2=O	562.60	unknown	https://doi.org/10.1016/S0040-4039(01)02015-9
[5-sulfooxyimino-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpent-1-en-3-yl] 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate	73798931	Click to see C=CC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)OC(=O)CC2(C3=CC=CC=C3NC2=O)O	578.60	unknown	https://doi.org/10.1016/S0040-4039(01)02015-9
{[(E)-(2-phenyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene)amino]oxy}sulfonic acid	9573945	Click to see C1=CC=C(C=C1)CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O	409.40	unknown	via CMAUP database
1-S-[(1Z)-N-(sulfonatooxy)pent-4-enimidoyl]-1-thio-beta-D-glucopyranose	20843338	Click to see C=CCCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O	372.40	unknown	via CMAUP database
1-S-[(1Z)-N-(sulfooxy)pent-4-enimidoyl]-1-thio-beta-D-glucopyranose	5484740	Click to see C=CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	373.40	unknown	via CMAUP database
1-S-[2-(1-sulfo-1H-indol-3-yl)-N-(sulfonatooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose	9601102	Click to see C1=CC=C2C(=C1)C(=CN2S(=O)(=O)O)CC(=NOS(=O)(=O)[O-])SC3C(C(C(C(O3)CO)O)O)O	527.50	unknown	via CMAUP database
1-S-[2-(4-hydroxy-1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose	9548896	Click to see C1=CC2=C(C(=C1)O)C(=CN2)CC(=NOS(=O)(=O)[O-])SC3C(C(C(C(O3)CO)O)O)O	463.50	unknown	via CMAUP database
1-S-[4-(methylsulfonyl)-N-(sulfonatooxy)butanimidoyl]-1-thio-beta-D-glucopyranose	9548643	Click to see CS(=O)(=O)CCCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O	438.50	unknown	via CMAUP database
3-[(2E)-2-sulfooxyimino-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethyl]indole-1-sulfonic acid	6913964	Click to see C1=CC=C2C(=C1)C(=CN2S(=O)(=O)O)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	528.50	unknown	https://doi.org/10.1016/0031-9422(83)85019-5
3-[(2E)-2-sulfooxyimino-2-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-ethyl]indole-1-sulfonic acid	6828857	Click to see C1=CC=C2C(=C1)C(=CN2S(=O)(=O)O)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	528.50	unknown	https://doi.org/10.1016/0031-9422(83)85019-5
3-Butenylglucosinolate	3034765	Click to see C=CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	373.40	unknown	via CMAUP database
3-Indolylmethyl glucosinolate	6602378	Click to see C1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	448.50	unknown	via CMAUP database
3-Indolylmethylglucosinolate	5484743	Click to see C1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	448.50	unknown	via CMAUP database
3-Methylthiopropylglucosinolate	20843347	Click to see CSCCCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O	406.50	unknown	via CMAUP database
4-Hydroxyglucobrassicin	656561	Click to see C1=CC2=C(C(=C1)O)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	464.50	unknown	via CMAUP database
4-Hydroxyindol-3-ylmethylglucosinolate	49859657	Click to see C1=CC2=C(C(=C1)O)C(=CN2)CC(=NOS(=O)(=O)[O-])SC3C(C(C(C(O3)CO)O)O)O	463.50	unknown	via CMAUP database
4-Methoxyglucobrassicin	9576738	Click to see COC1=CC=CC2=C1C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	478.50	unknown	via CMAUP database
4-Ohimg	9576741	Click to see C1=CC2=C(C(=C1)O)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	464.50	unknown	via CMAUP database
Allyl glucosinolate	23684362	Click to see C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]	397.50	unknown	via CMAUP database
Benzyl glucosinolate	21600402	Click to see C1=CC=C(C=C1)CC(=NOS(=O)(=O)[O-])SC2C(C(C(C(O2)CO)O)O)O	408.40	unknown	via CMAUP database
Benzylglucosinolate (potassium)	74088024	Click to see C1=CC=C(C=C1)CC(=NOS(=O)(=O)[O-])SC2C(C(C(C(O2)CO)O)O)O.[K+]	447.50	unknown	via CMAUP database
But-3-enylglucosinolate	14390048	Click to see C=CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	373.40	unknown	https://doi.org/10.1016/S0040-4039(01)02015-9
epi-Progoitrin	9576649	Click to see C=CC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)O	389.40	unknown	https://doi.org/10.1016/S0040-4039(01)02015-9
Epiprogoitrin	5486194	Click to see C=CC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)O	389.40	unknown	via CMAUP database
Glucobrassicin	9601691	Click to see C1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	448.50	unknown	https://doi.org/10.1016/S0040-4039(01)02015-9
Glucobrassicin-1-Sulfonate	6602379	Click to see C1=CC=C2C(=C1)C(=CN2S(=O)(=O)O)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	528.50	unknown	via CMAUP database
Gluconapin	9548620	Click to see C=CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O	373.40	unknown	https://doi.org/10.1016/S0040-4039(01)02015-9
Gluconapin(1-)	9548619	Click to see C=CCCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O	372.40	unknown	via CMAUP database
Glucoside of allyl isothiocyanate	23712637	Click to see C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]	397.50	unknown	via CMAUP database
Glucotropaeolin Potassium Salt	23698846	Click to see C1=CC=C(C=C1)CC(=NOS(=O)(=O)[O-])SC2C(C(C(C(O2)CO)O)O)O.[K+]	447.50	unknown	via CMAUP database
Glucotropeolin	6537197	Click to see C1=CC=C(C=C1)CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O	409.40	unknown	via CMAUP database
Indolylmethyl glucosinolate	656506	Click to see C1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	448.50	unknown	via CMAUP database
Neoglucobrassicin	9576416	Click to see CON1C=C(C2=CC=CC=C21)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O	478.50	unknown	https://doi.org/10.1016/0031-9422(83)85019-5
Neoglucobrassicin anion	20843321	Click to see CON1C=C(C2=CC=CC=C21)CC(=NOS(=O)(=O)[O-])SC3C(C(C(C(O3)CO)O)O)O	477.50	unknown	via CMAUP database
Potassium 1-(beta-D-glucopyranosylthio)but-3-enylideneaminooxysulphonate	23682211	Click to see C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]	397.50	unknown	via CMAUP database
potassium;[(E)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbut-3-enylideneamino] sulfate	23671158	Click to see C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]	397.50	unknown	via CMAUP database
Progoitrin	4480096	Click to see C=CC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)O	389.40	unknown	https://doi.org/10.1016/S0040-4039(01)02015-9
R-2-Hydroxy-3-butenyl glucosinolate	9548893	Click to see C=CC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)O	389.40	unknown	https://doi.org/10.1016/S0040-4039(01)02015-9
Sinigrin potassium	44135691	Click to see C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]	397.50	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / C-glycosyl compounds
1H-indol-3-yl (2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate	162904085	Click to see C1=CC=C2C(=C1)C(=CN2)OC(=O)C3C(C(C(O3)(CO)O)O)O	309.27	unknown	https://doi.org/10.1016/S0031-9422(01)00335-1
1H-indol-3-yl (2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate	6325414	Click to see C1=CC=C2C(=C1)C(=CN2)OC(=O)C3C(C(C(O3)(CO)O)O)O	309.27	unknown	https://doi.org/10.1002/(SICI)1099-1565(200001/02)11:1<18::AID-PCA483>3.0.CO;2-X https://doi.org/10.1016/0031-9422(90)80025-C https://doi.org/10.1016/S0031-9422(01)00335-1 https://doi.org/10.1016/0031-9422(92)83613-4
1H-indol-3-yl 3,4,5-trihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate	4480503	Click to see C1=CC=C2C(=C1)C(=CN2)OC(=O)C3C(C(C(O3)(CO)O)O)O	309.27	unknown	https://doi.org/10.1016/S0031-9422(01)00335-1
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
[(4aS,8S,8aS)-1-methyl-3-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-yl] acetate	6325484	Click to see CC1C2C(CC(=O)O1)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C	404.40	unknown	via CMAUP database
2-phenylethyl beta-D-glucopyranoside	468284	Click to see C1=CC=C(C=C1)CCOC2C(C(C(C(O2)CO)O)O)O	284.30	unknown	https://doi.org/10.1055/S-2006-959577
D-Alt(a1-2a)L-Psif	53301851	Click to see C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O	342.30	unknown	via CMAUP database
Indican	441564	Click to see C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)CO)O)O)O	295.29	unknown	https://doi.org/10.1016/S0031-9422(01)00335-1 https://doi.org/10.1002/(SICI)1099-1565(200001/02)11:1<18::AID-PCA483>3.0.CO;2-X https://doi.org/10.1016/0031-9422(90)80025-C
Indoxyl-beta-D-glucoside	92769	Click to see C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)CO)O)O)O	295.29	unknown	via CMAUP database
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	https://doi.org/10.1055/S-2006-959577
Uroxanthin	258533	Click to see C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)CO)O)O)O	295.29	unknown	https://doi.org/10.1016/S0031-9422(01)00335-1
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
6-(beta-D-Glucopyranosyloxy)-1H-indole-3-acetonitrile	5318434	Click to see C1=CC2=C(C=C1OC3C(C(C(C(O3)CO)O)O)O)NC=C2CC#N	334.32	unknown	via CMAUP database
Glucopyranoside, 4-hydroxy-2-methoxyphenyl, beta-D-(8CI); 4-Hydroxy-2-methoxyphenyl beta-D-glucopyranoside	72744980	Click to see COC1=C(C=CC(=C1)O)OC2C(C(C(C(O2)CO)O)O)O	302.28	unknown	https://doi.org/10.1055/S-2006-959577
Isotachioside	15098566	Click to see COC1=C(C=CC(=C1)O)OC2C(C(C(C(O2)CO)O)O)O	302.28	unknown	https://doi.org/10.1055/S-2006-959577
Suffruticoside A	9986231	Click to see CC(=O)C1=C(C=C(C=C1)OC)OC2C(C(C(C(O2)COC3C(C(CO3)(COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O	612.50	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
1-O-beta-D-Glucopyranosyl anthranilate	70684367	Click to see C1=CC=C(C(=C1)C(=O)OC2C(C(C(C(O2)CO)O)O)O)N	299.28	unknown	via CMAUP database
3,5-dihydroxy-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)tetrahydropyran-4-one	49771193	Click to see C1=CC=C2C(=C1)C(=CN2)OC3C(C(=O)C(C(O3)CO)O)O	293.27	unknown	via CMAUP database
Isatan B	101529308	Click to see C1=CC=C2C(=C1)C(=CN2)OC3C(C(=O)C(C(O3)CO)O)O	293.27	unknown	https://doi.org/10.1002/(SICI)1099-1565(200001/02)11:1<18::AID-PCA483>3.0.CO;2-X https://doi.org/10.1016/0031-9422(90)80025-C https://doi.org/10.1016/S0031-9422(01)00335-1 https://doi.org/10.1016/0031-9422(92)83613-4
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Pentoses / Pentose phosphates
(2S)-2-[[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[[(1R)-1-[(7S)-2-amino-7-methyl-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl]ethyl]amino]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxypentanedioic acid	5459995	Click to see CC1C(NC2=C(N1)NC(=NC2=O)N)C(C)NC3=CC=C(C=C3)CC(C(C(COC4C(C(C(O4)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O	776.70	unknown	https://doi.org/10.1016/S0040-4039(01)02015-9
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes
5-Hydroxymethylfurfural	237332	Click to see C1=C(OC(=C1)C=O)CO	126.11	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
3-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone	75142	Click to see COC1=C(C=CC(=C1)C(=O)CCO)O	196.20	unknown	via CMAUP database
3-Hydroxy-1-(4-hydroxyphenyl)propan-1-one	638759	Click to see C1=CC(=CC=C1C(=O)CCO)O	166.17	unknown	via CMAUP database
Acetosyringone	17198	Click to see CC(=O)C1=CC(=C(C(=C1)OC)O)OC	196.20	unknown	via CMAUP database
Acetovanillone	2214	Click to see CC(=O)C1=CC(=C(C=C1)O)OC	166.17	unknown	via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Enediols
Dihydro-caffeic acid	15847196	Click to see C1C(C=CC(=C1O)O)C=CC(=O)O	182.17	unknown	https://doi.org/10.1055/S-2006-958019
> Organoheterocyclic compounds / Azoles / Oxadiazoles / 1,2,4-oxadiazoles / Phenyloxadiazoles
Pleconaril	1684	Click to see CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)C3=NOC(=N3)C(F)(F)F	381.30	unknown	https://doi.org/10.1021/NP3002833
> Organoheterocyclic compounds / Azolidines / Oxazolidines
DL-Goitrin	3034683	Click to see C=CC1CNC(=S)O1	129.18	unknown	https://doi.org/10.1177/1534735410387420 https://doi.org/10.1016/J.FITOTE.2010.10.016
Epigoitrin	3032313	Click to see C=CC1CNC(=S)O1	129.18	unknown	via CMAUP database
Goitrin	7568320	Click to see C=CC1CNC(=S)O1	129.18	unknown	via CMAUP database
> Organoheterocyclic compounds / Benzodiazepines / 1,4-benzodiazepines
(S)-(+)-2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione	677114	Click to see C1CC2C(=O)NC3=CC=CC=C3C(=O)N2C1	216.24	unknown	https://doi.org/10.1055/S-2006-957604
2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11ah)-dione	551139	Click to see C1CC2C(=O)NC3=CC=CC=C3C(=O)N2C1	216.24	unknown	https://doi.org/10.1055/S-2006-957604
> Organoheterocyclic compounds / Diazanaphthalenes / Benzodiazines / Quinazolines
1H-quinazolin-4-one	63112	Click to see C1=CC=C2C(=C1)C(=O)N=CN2	146.15	unknown	via CMAUP database
2-(4-oxoquinazolin-3-yl)benzoic Acid	4381224	Click to see C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC=CC=C3C(=O)O	266.25	unknown	https://doi.org/10.1055/S-2006-957604
2(1H)-Quinazolinone	344381	Click to see C1=CC=C2C(=C1)C=NC(=O)N2	146.15	unknown	via CMAUP database
3-[(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one	163021895	Click to see COC1=CC(=CC(=C1O)OC)C=C2CCN3C2=NC4=CC=CC=C4C3=O	350.40	unknown	https://doi.org/10.1016/S0040-4020(97)00846-6
Benzoyleneurea	64048	Click to see C1=CC=C2C(=C1)C(=O)NC(=O)N2	162.15	unknown	via CMAUP database
Deoxyvasicinone	68261	Click to see C1CC2=NC3=CC=CC=C3C(=O)N2C1	186.21	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019 https://doi.org/10.1016/S0040-4020(97)00846-6
Isaindigotone	135433966	Click to see COC1=CC(=CC(=C1O)OC)C=C2CCN3C2=NC4=CC=CC=C4C3=O	350.40	unknown	https://doi.org/10.1021/NP0101898 https://doi.org/10.1016/S0040-4020(97)00846-6
Methylmethaqualone	63382	Click to see CC1=CC(=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C)C	264.32	unknown	via CMAUP database
> Organoheterocyclic compounds / Diazanaphthalenes / Benzodiazines / Quinazolines / Indoloquinazolines
(6E)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one	3035728	Click to see C1=CC=C2C(=C1)C(=O)C(=C3C4=CC=CC=C4N5C3=NC6=CC=CC=C6C5=O)N2	363.40	unknown	https://doi.org/10.4268/CJCMM20100812 https://doi.org/10.1055/S-2006-957604
6-[(2Z)-3-Oxo-2,3-dihydro-1H-indole-2-ylidene]indolo[2,1-b]quinazoline-12-one	5320815	Click to see C1=CC=C2C(=C1)C(=O)C(=C3C4=CC=CC=C4N5C3=NC6=CC=CC=C6C5=O)N2	363.40	unknown	https://doi.org/10.1055/S-2006-957604
Indolo[2,1-b]quinazoline-6,12-dione	73549	Click to see C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=O)C3=N2	248.24	unknown	https://doi.org/10.1055/S-2002-20252 https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019 https://doi.org/10.1055/S-2003-39718 https://doi.org/10.1055/S-2001-15805 https://doi.org/10.1515/ZNC-1994-1-208 https://doi.org/10.1021/NP3002833 https://doi.org/10.1055/S-2006-949964 https://doi.org/10.4268/CJCMM20100812
> Organoheterocyclic compounds / Diazines / Pyrimidines and pyrimidine derivatives / Hydropyrimidines
N-(furan-2-ylmethyl)-5H-purin-6-amine	409735	Click to see C1=COC(=C1)CNC2=NC=NC3=NC=NC32	215.21	unknown	via CMAUP database
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
Ascorbic Acid	54670067	Click to see C(C(C1C(=C(C(=O)O1)O)O)O)O	176.12	unknown	via CMAUP database
D-ascorbic acid	54690394	Click to see C(C(C1C(=C(C(=O)O1)O)O)O)O	176.12	unknown	via CMAUP database
L-[2-13C]ascorbic acid	54676536	Click to see C(C(C1C(=C(C(=O)O1)O)O)O)O	176.12	unknown	via CMAUP database
> Organoheterocyclic compounds / Furans / Furoic acid and derivatives / Furoic acids
3-Methyl-2-furoic acid	78127	Click to see CC1=C(OC=C1)C(=O)O	126.11	unknown	via CMAUP database
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives
2-amino-3,7-dihydropurin-6-one	764	Click to see C1=NC2=C(N1)C(=O)N=C(N2)N	151.13	unknown	https://doi.org/10.1016/S0040-4020(97)00846-6
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / 6-aminopurines
Adenine phosphate	198277	Click to see C1=NC2=NC=NC(=C2N1)N.OP(=O)(O)O	233.12	unknown	via CMAUP database
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / 6-aminopurines / 6-alkylaminopurines
Kinetin	3830	Click to see C1=COC(=C1)CNC2=NC=NC3=C2NC=N3	215.21	unknown	via CMAUP database
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / Purinones / Hypoxanthines
CID 790	790	Click to see C1=NC2=C(N1)C(=O)N=CN2	136.11	unknown	via CMAUP database
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / Xanthines
Xanthine	1188	Click to see C1=NC2=C(N1)C(=O)NC(=O)N2	152.11	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives
hydron;1H-indole	22035206	Click to see [H+].C1=CC=C2C(=C1)C=CN2	118.16	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Hydroxyindoles
1H-Indol-3-ol	50591	Click to see C1=CC=C2C(=C1)C(=CN2)O	133.15	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019 https://doi.org/10.1016/S0031-9422(01)00335-1 https://doi.org/10.1055/S-2006-949964
1H-Indole-2,5-diol	45082883	Click to see C1=CC2=C(C=C1O)C=C(N2)O	149.15	unknown	via CMAUP database
Indigo	10215	Click to see C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)O	262.26	unknown	https://doi.org/10.1021/NP049662I https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019 https://doi.org/10.4268/CJCMM20100812 https://doi.org/10.1016/S0031-9422(01)00335-1
Indigotine	135436515	Click to see C1=CC2=C(C=C1S(=O)(=O)O)C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)O)O.[Na+]	445.40	unknown	https://doi.org/10.1021/NP049662I https://doi.org/10.1021/NP3002833 https://doi.org/10.1055/S-2006-949964 https://doi.org/10.1016/S0031-9422(01)00335-1
Indirubin	10177	Click to see C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=O	262.26	unknown	https://doi.org/10.1021/NP049662I https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019 https://doi.org/10.4268/CJCMM20100812 https://doi.org/10.1016/S0031-9422(01)00335-1 https://doi.org/10.1055/S-2006-957604
Isoindigotin	164610	Click to see C1=CC=C2C(=C1)C(=C(N2)O)C3=C4C=CC=CC4=NC3=O	262.26	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019 https://doi.org/10.1016/S0031-9422(01)00335-1
> Organoheterocyclic compounds / Indoles and derivatives / Indolecarboxylic acids and derivatives
Indole-3-carboxylic acid	69867	Click to see C1=CC=C2C(=C1)C(=CN2)C(=O)O	161.16	unknown	https://doi.org/10.1016/J.FITOTE.2010.10.016 https://doi.org/10.1055/S-2006-958019
> Organoheterocyclic compounds / Indoles and derivatives / Indolecarboxylic acids and derivatives / Indolecarboxamides and derivatives
1H-indole-3-carboxamide	2192542	Click to see C1=CC=C2C(=C1)C(=CN2)C(=O)N	160.17	unknown	https://doi.org/10.1021/NP3002833
> Organoheterocyclic compounds / Indoles and derivatives / Indoles
(2E)-2-(1H-indol-3-ylmethylidene)-1H-indol-3-one	678855	Click to see C1=CC=C2C(=C1)C(=CN2)C=C3C(=O)C4=CC=CC=C4N3	260.29	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
1-Acetylbisindigotin	135497157	Click to see CC(=O)N1C2=CC=CC=C2C(=O)C1=C3C(=C4C=CC=CC4=N3)C5=C(NC6=CC=CC=C65)C7=NC8=CC=CC=C8C7=O	532.50	unknown	https://doi.org/10.1021/NP049662I
2-(1H-indol-3-ylmethylidene)-1H-indol-3-one	3475290	Click to see C1=CC=C2C(=C1)C(=CN2)C=C3C(=O)C4=CC=CC=C4N3	260.29	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
2-(1H-Indole-3-ylmethylene)indoline-3-one	678856	Click to see C1=CC=C2C(=C1)C(=CN2)C=C3C(=O)C4=CC=CC=C4N3	260.29	unknown	https://doi.org/10.1021/NP3002833
2-[3-[(2E)-2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one	136861641	Click to see C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)C5=C6C=CC=CC6=NC5=C7C(=O)C8=CC=CC=C8N7	490.50	unknown	https://doi.org/10.1021/NP049662I https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
2-[3-[2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one	163080242	Click to see C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)C5=C6C=CC=CC6=NC5=C7C(=O)C8=CC=CC=C8N7	490.50	unknown	https://doi.org/10.1021/NP049662I
3-[[3,5-dihydroxy-6-(1H-indol-3-yloxy)-4-oxo-tetrahydropyran-2-yl]methoxy]-3-oxo-propanoic acid	49771191	Click to see C1=CC=C2C(=C1)C(=CN2)OC3C(C(=O)C(C(O3)COC(=O)CC(=O)O)O)O	379.30	unknown	via CMAUP database
Bisindigotin	135545472	Click to see C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)C5=C6C=CC=CC6=NC5=C7C(=O)C8=CC=CC=C8N7	490.50	unknown	https://doi.org/10.1021/NP049662I https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
Indole	798	Click to see C1=CC=C2C(=C1)C=CN2	117.15	unknown	https://doi.org/10.1055/S-2006-958019
Indole-3-carboxaldehyde	10256	Click to see C1=CC=C2C(=C1)C(=CN2)C=O	145.16	unknown	https://doi.org/10.1021/NP3002833 https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
Isatan A	101371539	Click to see C1=CC=C2C(=C1)C(=CN2)OC3C(C(=O)C(C(O3)COC(=O)CC(=O)O)O)O	379.30	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indoles / 3-alkylindoles
(2S)-2-[3-(cyanomethyl)-4-methoxy-1H-indol-7-yl]-2-(1H-indol-3-yl)acetonitrile	70690687	Click to see COC1=C2C(=CNC2=C(C=C1)C(C#N)C3=CNC4=CC=CC=C43)CC#N	340.40	unknown	https://doi.org/10.1021/NP3002833
(2S)-2-[3-(cyanomethyl)-4-methoxy-1H-indol-7-yl]-2-(4-methoxy-1H-indol-3-yl)acetonitrile	70690688	Click to see COC1=C2C(=CNC2=C(C=C1)C(C#N)C3=CNC4=C3C(=CC=C4)OC)CC#N	370.40	unknown	https://doi.org/10.1021/NP3002833
1H-Indole-3-acetonitrile, 1-methoxy-	11954881	Click to see CON1C=C(C2=CC=CC=C21)CC#N	186.21	unknown	via CMAUP database
2-(4-methoxy-1H-indol-3-yl)acetonitrile	119406	Click to see COC1=CC=CC2=C1C(=CN2)CC#N	186.21	unknown	https://doi.org/10.1021/NP3002833
2-[7-[(1S)-1-(4-hydroxyphenyl)ethyl]-4-methoxy-1H-indol-3-yl]acetonitrile	60155950	Click to see CC(C1=CC=C(C=C1)O)C2=C3C(=C(C=C2)OC)C(=CN3)CC#N	306.40	unknown	https://doi.org/10.1021/NP3002833
3-Indoleacetonitrile	351795	Click to see C1=CC=C2C(=C1)C(=CN2)CC#N	156.18	unknown	https://doi.org/10.1055/S-2006-959577 https://doi.org/10.1021/NP3002833 https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019 https://doi.org/10.1515/ZNC-1994-1-208
Isatisine A	45112299	Click to see C1=CC=C2C(=C1)C(=CN2)C34C5C(C(C(O5)CO)O)(C(=O)N3C6=CC=CC=C6C4=O)O	406.40	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indolines
(2E)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one	5318432	Click to see C1=CC=C2C(=C1)C(=O)C(=C3C(=O)C4=CC=CC=C4N3)N2	262.26	unknown	via CMAUP database
(2E)-2-(4-hydroxy-2-oxo-1H-indol-3-ylidene)acetonitrile	60156059	Click to see C1=CC2=C(C(=C1)O)C(=CC#N)C(=O)N2	186.17	unknown	via CMAUP database
(2Z)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one	5354391	Click to see C1=CC=C2C(=C1)C(=O)C(=C3C(=O)C4=CC=CC=C4N3)N2	262.26	unknown	via CMAUP database
(2Z)-2-[3-[(2E)-2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]indol-2-ylidene]-1H-indol-3-one	11225588	Click to see C1=CC=C2C(=C1)C(=O)C(=C3C(=C4C=CC=CC4=N3)C5=C6C=CC=CC6=NC5=C7C(=O)C8=CC=CC=C8N7)N2	490.50	unknown	via CMAUP database
(3E)-3-(2-oxo-1H-indol-3-ylidene)-1H-indol-2-one	5318575	Click to see C1=CC=C2C(=C1)C(=C3C4=CC=CC=C4NC3=O)C(=O)N2	262.26	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019 https://doi.org/10.1016/S0031-9422(01)00335-1
(3E)-3-(3-oxo-1H-indol-2-ylidene)-1H-indol-2-one	5359405	Click to see C1=CC=C2C(=C1)C(=C3C(=O)C4=CC=CC=C4N3)C(=O)N2	262.26	unknown	https://doi.org/10.1021/NP049662I https://doi.org/10.1055/S-2001-15805 https://doi.org/10.1055/S-2006-957604 https://doi.org/10.1021/NP3002833 https://doi.org/10.1055/S-2006-949964 https://doi.org/10.1016/S0031-9422(01)00335-1
(3Z)-3-(3-oxo-1H-indol-2-ylidene)-1H-indol-2-one	5318433	Click to see C1=CC=C2C(=C1)C(=C3C(=O)C4=CC=CC=C4N3)C(=O)N2	262.26	unknown	https://doi.org/10.1016/S0031-9422(01)00335-1 https://doi.org/10.1021/NP3002833
(s)-2-(3-Hydroxy-4-methoxy-2-oxoindolin-3-yl) acetamide	60156062	Click to see COC1=CC=CC2=C1C(C(=O)N2)(CC(=O)N)O	236.22	unknown	via CMAUP database
2-(2-Oxo-1,3-dihydroindol-3-yl)acetamide	60156064	Click to see C1=CC=C2C(=C1)C(C(=O)N2)CC(=O)N	190.20	unknown	https://doi.org/10.1021/NP3002833
2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one	5464295	Click to see C1=CC=C2C(=C1)C(=O)C(=C3C(=O)C4=CC=CC=C4N3)N2	262.26	unknown	https://doi.org/10.1016/S0031-9422(01)00335-1
2-(4-Hydroxy-2-oxoindolin-3-yl)acetonitrile	5316720	Click to see C1=CC2=C(C(C(=O)N2)CC#N)C(=C1)O	188.18	unknown	via CMAUP database
2-[(3R)-4-hydroxy-2-oxo-1,3-dihydroindol-3-yl]acetamide	60156063	Click to see C1=CC2=C(C(C(=O)N2)CC(=O)N)C(=C1)O	206.20	unknown	via CMAUP database
2-[(3R)-4-hydroxy-2-oxo-1,3-dihydroindol-3-yl]acetonitrile	60156058	Click to see C1=CC2=C(C(C(=O)N2)CC#N)C(=C1)O	188.18	unknown	https://doi.org/10.1021/NP3002833
2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetamide	60156061	Click to see C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)N)O	206.20	unknown	via CMAUP database
2-[(3S)-3-hydroxy-4-methoxy-2-oxo-1H-indol-3-yl]acetonitrile	60156060	Click to see COC1=CC=CC2=C1C(C(=O)N2)(CC#N)O	218.21	unknown	https://doi.org/10.1021/NP3002833
2-[(3S)-3,4-dihydroxy-2-oxo-1H-indol-3-yl]acetonitrile	60156057	Click to see C1=CC2=C(C(=C1)O)C(C(=O)N2)(CC#N)O	204.18	unknown	via CMAUP database
2-[3-[(2E)-2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]indol-2-ylidene]-1H-indol-3-one	102465002	Click to see C1=CC=C2C(=C1)C(=O)C(=C3C(=C4C=CC=CC4=N3)C5=C6C=CC=CC6=NC5=C7C(=O)C8=CC=CC=C8N7)N2	490.50	unknown	via CMAUP database
4-Methoxyindoline-2,3-dione	11378819	Click to see COC1=CC=CC2=C1C(=O)C(=O)N2	177.16	unknown	via CMAUP database
5-Hydroxyoxindole	76955	Click to see C1C2=C(C=CC(=C2)O)NC1=O	149.15	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019 https://doi.org/10.1055/S-2006-949964
Isatin	7054	Click to see C1=CC=C2C(=C1)C(=O)C(=O)N2	147.13	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019 https://doi.org/10.1055/S-2006-949964 https://doi.org/10.1016/S0031-9422(01)00335-1 https://doi.org/10.4268/CJCMM20100812
Oxindole	321710	Click to see C1C2=CC=CC=C2NC1=O	133.15	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives
(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoate	6923516	Click to see C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])[NH3+]	204.22	unknown	via CMAUP database
(3s)2,3-Dihydro-l-tryptophan	56844224	Click to see C1C(C2=CC=CC=C2N1)CC(C(=O)O)N	206.24	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives / Indole-3-acetic acid derivatives
Indole-3-acetic acid	802	Click to see C1=CC=C2C(=C1)C(=CN2)CC(=O)O	175.18	unknown	https://doi.org/10.1055/S-2006-958019
methyl 2-(1H-indol-3-yl)acetate	74706	Click to see COC(=O)CC1=CNC2=CC=CC=C21	189.21	unknown	via CMAUP database
Sodium 2-(1H-indol-3-yl)acetate	23677501	Click to see C1=CC=C2C(=C1)C(=CN2)CC(=O)[O-].[Na+]	197.17	unknown	via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Pyridoindoles / Beta carbolines
9H-Pyrido[3,4-B]indole	64961	Click to see C1=CC=C2C(=C1)C3=C(N2)C=NC=C3	168.19	unknown	https://doi.org/10.1055/S-2006-958019
> Organoheterocyclic compounds / Indoles and derivatives / Pyrroloindoles
(5aR)-6-Hydroxy-5,6beta-ethano-5,5aalpha,6,12-tetrahydroindolo[2,1-b]quinazoline-12,14-dione	60156156	Click to see C1C(=O)N2C3C1(C4=CC=CC=C4N3C(=O)C5=CC=CC=C52)O	292.29	unknown	via CMAUP database
8-Hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.012,17]nonadeca-2,4,6,12,14,16-hexaene-10,18-dione	60155951	Click to see C1C(=O)N2C3C1(C4=CC=CC=C4N3C(=O)C5=CC=CC=C52)O	292.29	unknown	https://doi.org/10.1021/NP3002833
> Organoheterocyclic compounds / Isoindoles and derivatives / Isoindolines / Isoindolones
3-(3-oxo-1H-indol-2-ylidene)isoindol-1-one	53399276	Click to see C1=CC=C2C(=C1)C(=C3C(=O)C4=CC=CC=C4N3)NC2=O	262.26	unknown	via CMAUP database
> Organoheterocyclic compounds / Naphthofurans
6,6,9a-Trimethyl-5,5a,7,8,9,9b-hexahydrobenzo[e][2]benzofuran-1,3-dione	85316951	Click to see CC1(CCCC2(C1CC=C3C2C(=O)OC3=O)C)C	248.32	unknown	https://doi.org/10.1016/S0040-4039(01)02015-9
> Organoheterocyclic compounds / Quinolines and derivatives / Hydroxyquinolines
4-[5-(Hydroxymethyl)-2-furanyl]-6-hydroxy-1,2-dihydroquinoline-2-one	60155952	Click to see C1=CC2=C(C=C1O)C(=CC(=O)N2)C3=CC=C(O3)CO	257.24	unknown	via CMAUP database
> Organoheterocyclic compounds / Quinolines and derivatives / Indoloquinolines
Quindoline	98912	Click to see C1=CC=C2C(=C1)C=C3C(=N2)C4=CC=CC=C4N3	218.25	unknown	via CMAUP database
> Organoheterocyclic compounds / Quinolines and derivatives / Quinoline carboxamides
(+)-(r)-2-Oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide	60156055	Click to see C1C(C2=CC=CC=C2NC1=O)C(=O)N	190.20	unknown	https://doi.org/10.1021/NP3002833
> Organoheterocyclic compounds / Quinolines and derivatives / Quinolones and derivatives
7-(4-Hydroxy-3,5-dimethoxyphenyl)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione	163034927	Click to see COC1=CC(=CC(=C1O)OC)C2C3CCCN3C(=O)C4=C2C(=O)NC5=CC=CC=C54	406.40	unknown	https://doi.org/10.1016/S0040-4020(97)00846-6
> Organoheterocyclic compounds / Quinolines and derivatives / Quinolones and derivatives / Hydroquinolones
(7R,7aS)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione	49831671	Click to see COC1=CC(=CC(=C1O)OC)C2C3CCCN3C(=O)C4=C2C(=O)NC5=CC=CC=C54	406.40	unknown	https://doi.org/10.1016/S0040-4020(97)00846-6
(7R)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione	102328974	Click to see COC1=CC(=CC(=C1O)OC)C2C3CCCN3C(=O)C4=C2C(=O)NC5=CC=CC=C54	406.40	unknown	https://doi.org/10.1016/S0040-4020(97)00846-6
(7S,7aR)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione	6325413	Click to see COC1=CC(=CC(=C1O)OC)C2C3CCCN3C(=O)C4=C2C(=O)NC5=CC=CC=C54	406.40	unknown	via CMAUP database
> Organoheterocyclic compounds / Tetrapyrroles and derivatives
10-Hydroxyphaeophorbide	135474498	Click to see CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C4=N3)(C(=O)OC)O)O)C)C	608.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
Pheophorbide a	253193	Click to see CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C4=N3)C(=O)OC)O)C)C	592.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
Pyrophaeophorbide a	3819540	Click to see CCC1=C(C2=NC1=CC3=C(C4=C(CC(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C4=N3)O)C)C	534.60	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
> Organoheterocyclic compounds / Tetrapyrroles and derivatives / Chlorins
3-[(3R,21S,22S)-16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaen-22-yl]propanoic acid	5323510	Click to see CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C5=C6C(=C(C(=N6)C=C1N2)C)C(=O)C5C(=O)OC)CCC(=O)O)C)C)C=C)C	592.70	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
> Phenylpropanoids and polyketides / Ciguatera toxins
Ciguatoxin-2	76957583	Click to see CC1CC2C(CC3C(O2)C(C(C4C(O3)C(C(C5(O4)CCCO5)C)C)O)C)OC6CC7C(C(CC8C(O7)CC=CCC9C(O8)C=CC2C(O9)C=CC3C(O2)CC2C(O3)C(C3C(O2)CC=CC(O3)C=CC(CO)O)O)O)(OC6C1)C	1095.30	unknown	https://doi.org/10.1016/S0040-4039(01)02015-9
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives
4-(3,5-Dimethoxy-4-hydroxyphenyl)-3-buten-2-one	10727728	Click to see CC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC	222.24	unknown	https://doi.org/10.1055/S-2006-957604
4-(4-Hydroxy-3,5-dimethoxyphenyl)-3-buten-2-one	71350958	Click to see CC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC	222.24	unknown	https://doi.org/10.1055/S-2006-957604
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
Martynoside	5319292	Click to see CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)OC)O)O)O)O)O	652.60	unknown	https://doi.org/10.1055/S-2006-959577
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
Caffeic Acid	689043	Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O	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
Ferulic acid	445858	Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O	194.18	unknown	https://doi.org/10.1055/S-2006-949964 https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019 https://doi.org/10.1055/S-2006-958019
p-Coumaric acid	637542	Click to see C1=CC(=CC=C1C=CC(=O)O)O	164.16	unknown	https://doi.org/10.1055/S-2006-959577 https://doi.org/10.1515/ZNC-1994-1-208
Sinapinic acid	637775	Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O	224.21	unknown	https://doi.org/10.1055/S-2006-958019 https://doi.org/10.1055/S-2006-949964 https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019
> Phenylpropanoids and polyketides / Flavonoids / Flavones
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexoxy]chromen-4-one	15959354	Click to see C1C(C(C(C(C1OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O)CO	462.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Kaempferol	5280863	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O	286.24	unknown	via CMAUP database
Quercetin	5280343	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	302.23	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	3549959	Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O	462.40	unknown	https://doi.org/10.3987/COM-05-10343
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	4475102	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/10.3987/COM-05-10343
6-[(2S,3S,4R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one	102352203	Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O	624.50	unknown	https://doi.org/10.3987/COM-05-10343
6-[(2S,3S,4R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one	102352204	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O	594.50	unknown	https://doi.org/10.3987/COM-05-10343
6-[3,5-Dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one	163024379	Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O	624.50	unknown	https://doi.org/10.3987/COM-05-10343
6-[3,5-Dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one	163000060	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O	594.50	unknown	https://doi.org/10.3987/COM-05-10343
Isoorientin	114776	Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O)O	448.40	unknown	via CMAUP database
Isoscoparin	442611	Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O	462.40	unknown	https://doi.org/10.1016/J.PHYTOCHEM.2009.04.019 https://doi.org/10.3987/COM-05-10343
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/10.3987/COM-05-10343
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one	44257674	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O	594.50	unknown	via CMAUP database
Chrysoeriol 6,8-di-C-glucoside	44258167	Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O	624.50	unknown	via CMAUP database
Vicenin 2	442664	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O	594.50	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-3-O-glucuronides
Miquelianin (Quercetin 3-O-glucuronide)	13258914	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O	478.40	unknown	via CMAUP database
Querciturone	5274585	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O	478.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides
2-(4-Hydroxyphenyl)-5,7-dihydroxy-6-(beta-D-glucopyranosyloxy)-4H-1-benzopyran-4-one	11546834	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC4C(C(C(C(O4)CO)O)O)O)O)O	448.40	unknown	https://doi.org/10.1016/S0040-4020(97)00846-6
5-hydroxy-3,6-dimethoxy-2-[3-methoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one	5316287	Click to see COC1=C(C2=C(C=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)O	506.50	unknown	via CMAUP database
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	14017874	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC4C(C(C(C(O4)CO)O)O)O)O)O	448.40	unknown	https://doi.org/10.1016/S0040-4020(97)00846-6
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
Astragalin	5282102	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O	448.40	unknown	via CMAUP database
Isoquercetin	5280804	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
5-Hydroxy-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one	5480901	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O	592.50	unknown	https://doi.org/10.1016/S0040-4020(97)00846-6
Linarin	5317025	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O	592.50	unknown	https://doi.org/10.1016/S0040-4020(97)00846-6
Saponarin	441381	Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O	594.50	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids
5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexoxy]chromen-4-one	15959353	Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4CC(C(C(C4O)O)O)CO)O	476.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 4-O-methylated flavonoids
Hesperetin	72281	Click to see COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O	302.28	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Coumestans
Glycyrol	5320083	Click to see CC(=CCC1=C(C2=C(C=C1O)OC(=O)C3=C2OC4=C3C=CC(=C4)O)OC)C	366.40	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids / 3-hydroxy,4-methoxyisoflavonoids
Calycosin	5280448	Click to see COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O	284.26	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Phenylpropanoic acids
2-(4-Hydroxy-3-methoxyphenyl)propanoic acid	18987074	Click to see CC(C1=CC(=C(C=C1)O)OC)C(=O)O	196.20	unknown	https://doi.org/10.1055/S-2006-958019
3-(3,4-Dihydroxyphenyl)propionic acid	348154	Click to see C1=CC(=C(C=C1CCC(=O)O)O)O	182.17	unknown	https://doi.org/10.1055/S-2006-958019
> Phenylpropanoids and polyketides / Stilbenes
(-)-Evofolin B	46229015	Click to see COC1=C(C=CC(=C1)C(CO)C(=O)C2=CC(=C(C=C2)O)OC)O	318.32	unknown	via CMAUP database
Evofolin B	5317306	Click to see COC1=C(C=CC(=C1)C(CO)C(=O)C2=CC(=C(C=C2)O)OC)O	318.32	unknown	via CMAUP database
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
(57R,58S,510R,511R,519S)-14,15,16,24,25,26,52,53,516,517,517-Undecahydroxy-55,513,515,3,8-pentaoxo-55,57,58,510,511,513,515,516,517,517a-decahydro-4,7-dioxa-5(19,10)-1,16-epoxy-7,11-methanodibenzo[i,k][1,4,7]trioxacyclotridecina-1,2(1,2)-dibenzenacyclooctaphane-58-yl 3,4,5-trihydroxybenzoate	138991573	Click to see C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7C(=CC(=O)C(C7(O)O)(O6)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O	952.60	unknown	https://doi.org/10.1016/S0040-4039(01)02015-9
Bicyclol	9821754	Click to see COC1=C2C(=C(C(=C1)CO)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2	390.30	unknown	https://doi.org/10.1021/NP3002833

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Isatis tinctoria

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