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Chaenomeles sinensis

Chaenomeles sinensis - Unknown
Part: Unknown
Author: Public Domain - WikiMedia
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Table of Contents

Details
Description
Synonyms
Common Names
Subtypes (subspecies, varieties, subvarieties, forms)
Germination/Propagation
Distribution
Links to other databases
Genome
Scientific Literature
Phytochemical Profile
Biological Material
Contributors
Collections

Details Top

Internal ID UUID644040691470d327223871
Scientific name Chaenomeles sinensis
Authority (Thouin) Koehne
First published in Gatt. Pomac. : 29 (1890)

Description Top

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Synonyms Top

Scientific name Authority First published in
Malus communis var. chinensis (Dum.Cours.) Wenz. ; 1883 291 1883
Chaenomeles chinensis (Dum.Cours.) Koehne Die Gattungen der Pomaceen ; 1890 29 1890
Cydonia vulgaris Pavol. ; 1908 415 1908
Pyrus chinensis (Dum.Cours.) Poir. Encyclop‚die m‚thodique. Botanique. Suppl‚ment. ; 1810 452 1816

Common names Top

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Language Common/alternative name
Azerbaijani Çin heyvası
Chinese 木瓜
Chinese 木瓜枝
Chinese 木瓜核
Chinese 木瓜根
Chinese 木瓜皮
Chinese 木瓜花
Chinese 冥楂
Chinese 木瓜（模楂、楂）
Chinese 榠樝
Chinese 酸木瓜
Chinese 木李
Chinese 榠楂
Chinese 海棠
Chinese 楂
Chinese 模楂

Subspecies (abbr. subsp./ssp.) Top

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Varieties (abbr. var.) Top

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Subvarieties (abbr. subvar.) Top

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Forms (abbr. f.) Top

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Germination/Propagation Top

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No germination or propagation data was added yet.

Distribution (via POWO/KEW) Top

No distribution data was extracted from POWO/KEW yet. We are constantly monitoring for new data.

Links to other databases Top

Suggest others/fix!
Database ID/link to page
World Flora Online wfo-0001016365
UNII 7A54KJ4F5H
Tropicos 27806378
KEW urn:lsid:ipni.org:names:722124-1
The Plant List rjp-6991
Open Tree Of Life 316549
NCBI Taxonomy 36622
IPNI 722124-1
iNaturalist 129657
GBIF 3000696
EPPO PDCSI
EOL 229993
Calflora (Californian flora) 10277
USDA GRIN 10013
CMAUP NPO26327

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
Name Level Submitter Released Coverage Size
GCA_044986365.1 ASM4498636v1 Chromosome dali university 2024-11-16 155.0x 500.98 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
Mume Fructus reduces interleukin-1 beta-induced cartilage degradation via MAPK downregulation in rat articular chondrocytes Park DR, Choi BR, Yeo C, Yoon JE, Hong EY, Baek SH, Lee YJ, Ha IH PLoS One 08-May-2024
PMCID:PMC11078424
doi:10.1371/journal.pone.0302906
PMID:38718039
A comprehensive review of Siraitia grosvenorii (Swingle) C. Jeffrey: chemical composition, pharmacology, toxicology, status of resources development, and applications Huang H, Peng Z, Zhan S, Li W, Liu D, Huang S, Zhu Y, Wang W Front Pharmacol 04-Apr-2024
PMCID:PMC11024725
doi:10.3389/fphar.2024.1388747
Phylogeny of genera in Maleae (Rosaceae) based on chloroplast genome analysis Sun J, Zhao D, Qiao P, Wang Y, Wu P, Wang K, Guo L, Huang L, Zhou S Front Plant Sci 26-Mar-2024
PMCID:PMC11002139
doi:10.3389/fpls.2024.1367645
PMID:38595768
Identification and functional analysis of the LEAFY gene in longan flower induction Jue D, Li Z, Zhang W, Tang J, Xie T, Sang X, Guo Q BMC Genomics 25-Mar-2024
PMCID:PMC10962150
doi:10.1186/s12864-024-10229-x
PMID:38528464
Commodity risk assessment of plants of 12 selected Prunus species from Moldova Bragard C, Baptista P, Chatzivassiliou E, 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, Van der Werf W, Vicent Civera A, Zappalà L, Di Serio F, Gómez P, Urek G, Lucchi A, Carluccio AV, Chiumenti M, Fanelli E, Bernardo U, Marzachì C, Bubici G, Dimitropoulou S, Correia CD, Mosbach‐Schulz O, Kaczmarek A, Yuen J EFSA J 12-Mar-2024
PMCID:PMC10928764
doi:10.2903/j.efsa.2024.8647
PMID:38476321
Editorial: Plant's bioactivity in modern health and diet: benefits, limitations and trendy application Kostić AŽ, Mihaylova D, Petkova NT Front Nutr 11-Mar-2024
PMCID:PMC10961430
doi:10.3389/fnut.2024.1385444
PMID:38529195
Plant-Derived Senotherapeutics for the Prevention and Treatment of Intervertebral Disc Degeneration and Aging Mavrogonatou E, Kletsas D Metabolites 28-Feb-2024
PMCID:PMC10971879
doi:10.3390/metabo14030146
PMID:38535306
Bio-mordants: a review Benli H Environ Sci Pollut Res Int 23-Feb-2024
PMCID:PMC10948525
doi:10.1007/s11356-024-32174-8
PMID:38396176
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
Network Pharmacology with Metabolomics Study to Reveal the Mechanisms of Bushen Huoxue Formula in Intervertebral Disc Degeneration Treatment Guo J, Yang S, Zhai W, Xie Y, Shen Z, Zhang J, Jia Y Drug Des Devel Ther 21-Feb-2024
PMCID:PMC10894601
doi:10.2147/DDDT.S451197
PMID:38405577
Chaenomeles sinensis Extract Ameliorates Ovalbumin-Induced Allergic Rhinitis by Inhibiting the IL-33/ST2 Axis and Regulating Epithelial Cell Dysfunction Jin J, Fan YJ, Nguyen TV, Yu ZN, Song CH, Lee SY, Shin HS, Chai OH Foods 18-Feb-2024
PMCID:PMC10888344
doi:10.3390/foods13040611
PMID:38397588
Anti-Hyperuricemic Effects of Extracts from Chaenomeles speciosa (Sweet) Nakai Fruits on Hyperuricemic Rats Xu R, Deng P, Ma Y, Li K, Ren F, Li N Metabolites 10-Feb-2024
PMCID:PMC10890149
doi:10.3390/metabo14020117
PMID:38393010
Correction: He et al. Biology, Ecology and Management of Tephritid Fruit Flies in China: A Review. Insects 2023, 14, 196 He Y, Xu Y, Chen X Insects 31-Jan-2024
PMCID:PMC10889426
doi:10.3390/insects15020093
PMID:38392559
Study on medicinal food plants in the Gaoligongshan Biosphere Reserve, the richest biocultural diversity center in China Cheng Z, Lin S, Wu Z, Lin C, Zhang Q, Xu C, Li J, Long C J Ethnobiol Ethnomed 15-Jan-2024
PMCID:PMC10790445
doi:10.1186/s13002-023-00638-9
PMID:38225656
Quinces (Cydonia oblonga, Chaenomeles sp., and Pseudocydonia sinensis) as Medicinal Fruits of the Rosaceae Family: Current State of Knowledge on Properties and Use Kostecka-Gugała A Antioxidants (Basel) 03-Jan-2024
PMCID:PMC10812678
doi:10.3390/antiox13010071
PMID:38247495

Phytochemical Profile Top

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Below are displayed the proven (via scientific papers) natural compounds!
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Name PubChem ID Canonical SMILES MW Found in Proof
> Alkaloids and derivatives / Harmala alkaloids
1-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanone 617627 Click to see CC(=O)C1=NC=C(C2=C1NC3=CC=CC=C32)OC 240.26 unknown https://doi.org/10.1248/CPB.51.1318
5-Bromo-8-methoxy-1-methyl-beta-carboline 42638980 Click to see CC1=NC=CC2=C1NC3=C(C=CC(=C23)Br)OC 291.14 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives
(S)-Mandelonitrile 439767 Click to see C1=CC=C(C=C1)C(C#N)O 133.15 unknown via CMAUP database
Benzeneacetate 4409936 Click to see C1=CC=C(C=C1)CC(=O)[O-] 135.14 unknown via CMAUP database
Ethyl, 2-phenyl- 146323 Click to see [CH2]CC1=CC=CC=C1 105.16 unknown via CMAUP database
Ethylbenzene 7500 Click to see CCC1=CC=CC=C1 106.16 unknown via CMAUP database
Mesitylene 7947 Click to see CC1=CC(=CC(=C1)C)C 120.19 unknown via CMAUP database
Phenylethyl Alcohol 6054 Click to see C1=CC=C(C=C1)CCO 122.16 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Aminobenzoic acids and derivatives / Aminobenzoic acids
2-((Carboxymethyl)amino)-4-chlorobenzoic acid 11107141 Click to see C1=CC(=C(C=C1Cl)NCC(=O)O)C(=O)O 229.62 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
Diethyl Phthalate 6781 Click to see CCOC(=O)C1=CC=CC=C1C(=O)OCC 222.24 unknown via CMAUP database
Diisobutyl phthalate 6782 Click to see CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C 278.34 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acids
4-Hydroxybenzoate 54675830 Click to see C1=CC(=CC=C1C(=O)O)[O-] 137.11 unknown via CMAUP database
Benzoic Acid 243 Click to see C1=CC=C(C=C1)C(=O)O 122.12 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
2,5-Dihydroxybenzoic acid 3469 Click to see C1=CC(=C(C=C1O)C(=O)O)O 154.12 unknown via CMAUP database
3,4-Dihydroxybenzoate 54675866 Click to see C1=CC(=C(C=C1C(=O)O)O)[O-] 153.11 unknown via CMAUP database
3,4-Dihydroxybenzoic acid 72 Click to see C1=CC(=C(C=C1C(=O)O)O)O 154.12 unknown https://doi.org/10.1248/BPB.26.1031
4-Hydroxybenzoic acid 135 Click to see C1=CC(=CC=C1C(=O)O)O 138.12 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
3,4,5-Trihydroxybenzoate 54675821 Click to see C1=C(C=C(C(=C1O)[O-])O)C(=O)O 169.11 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 C1=C(C=C(C(=C1O)O)O)C(=O)O 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 / 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 via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / p-Hydroxybenzoic acid esters / p-Hydroxybenzoic acid alkyl esters
Ethyl 3,4-Dihydroxybenzoate 77547 Click to see CCOC(=O)C1=CC(=C(C=C1)O)O 182.17 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
Benzaldehyde 240 Click to see C1=CC=C(C=C1)C=O 106.12 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzyl alcohols
1,4-Benzenedimethanol, 2,5-difluoro- 22630192 Click to see C1=C(C(=CC(=C1F)CO)F)CO 174.14 unknown via CMAUP database
4-Methoxybenzyl alcohol 7738 Click to see COC1=CC=C(C=C1)CO 138.16 unknown via CMAUP database
phenylmethan(18O)ol 11062333 Click to see C1=CC=C(C=C1)CO 110.14 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Biphenyls and derivatives
2,6-Dimethoxy-4-(2-methoxyphenyl)phenol 44720381 Click to see COC1=CC=CC=C1C2=CC(=C(C(=C2)OC)O)OC 260.28 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Halobenzenes / Chlorobenzenes
(1Z)-2-[6-[[amino-[(Z)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine 5353524 Click to see C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl 505.40 unknown via CMAUP database
> 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 / Benzene and substituted derivatives / Phenylpropanes
Propylbenzene 7668 Click to see CCCC1=CC=CC=C1 120.19 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Toluenes
3-Ethyltoluene 12100 Click to see CCC1=CC=CC(=C1)C 120.19 unknown via CMAUP database
4-Ethyltoluene 12160 Click to see CCC1=CC=C(C=C1)C 120.19 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Xylenes / o-Xylenes
O-Xylene 7237 Click to see CC1=CC=CC=C1C 106.16 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Xylenes / p-Xylenes
P-Xylene 7809 Click to see CC1=CC=C(C=C1)C 106.16 unknown via CMAUP database
> Benzenoids / Indanes
(4bS,5S,9bS,10S)-5,10-bis(4-hydroxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,1-a]indene-1,3,6,8-tetrol 101801696 Click to see C1=CC(=CC=C1C2C3C(C(C4=C3C=C(C=C4O)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)O 454.50 unknown via CMAUP database
Pallidol 484757 Click to see C1=CC(=CC=C1C2C3C(C(C4=C3C=C(C=C4O)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)O 454.50 unknown via CMAUP database
> Benzenoids / Naphthalenes
1,1,6-Trimethyl-1,2-dihydronaphthalene 121677 Click to see CC1=CC2=C(C=C1)C(CC=C2)(C)C 172.27 unknown via CMAUP database
> Benzenoids / Phenol ethers / Anisoles
Estragole 8815 Click to see COC1=CC=C(C=C1)CC=C 148.20 unknown via CMAUP database
> Benzenoids / Phenols / 1-hydroxy-4-unsubstituted benzenoids
Hydron;phenoxide 20488062 Click to see [H+].C1=CC=C(C=C1)[O-] 94.11 unknown via CMAUP database
> Benzenoids / Phenols / Benzenediols / Catechols
Catechol 289 Click to see C1=CC=C(C(=C1)O)O 110.11 unknown via CMAUP database
> Benzenoids / Phenols / Benzenediols / Hydroquinones
Hydroquinone 785 Click to see C1=CC(=CC=C1O)O 110.11 unknown via CMAUP database
> Benzenoids / Phenols / Methoxyphenols
2,3,6-Trideuterio-4-hydroxy-5-methoxybenzaldehyde 11389509 Click to see COC1=C(C=CC(=C1)C=O)O 155.17 unknown via CMAUP database
Eugenol 3314 Click to see COC1=C(C=CC(=C1)CC=C)O 164.20 unknown via CMAUP database
> Benzenoids / Phenols / Methoxyphenols / Shogaols
Shogaol 5281794 Click to see CCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC 276.40 unknown https://doi.org/10.1021/ACS.JNATPROD.5B00090
> Benzenoids / Tetralins
alpha-Ionene 68057 Click to see CC1=CC2=C(C=C1)C(CCC2)(C)C 174.28 unknown via CMAUP database
> Hydrocarbons / Saturated hydrocarbons
CID 172416 172416 Click to see CCCCCCCCCCCCCCC[CH2] 225.43 unknown via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes
(111C)pentadecane 450704 Click to see CCCCCCCCCCCCCCC 211.42 unknown via CMAUP database
Heptacosane 11636 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCC 380.70 unknown via CMAUP database
Heptadecane 12398 Click to see CCCCCCCCCCCCCCCCC 240.50 unknown via CMAUP database
Undecane 14257 Click to see CCCCCCCCCCC 156.31 unknown via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Cycloalkanes
Cyclohexane 8078 Click to see C1CCCCC1 84.16 unknown via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Unsaturated aliphatic hydrocarbons
8-Methyl-1-undecene 522552 Click to see CCCC(C)CCCCCC=C 168.32 unknown via CMAUP database
> Lignans, neolignans and related compounds / Lignan glycosides
(+)-Lyoniresinol 9'-O-glucoside 10483388 Click to see COC1=CC(=CC(=C1O)OC)C2C(C(CC3=CC(=C(C(=C23)OC)O)OC)CO)COC4C(C(C(C(O4)CO)O)O)O 582.60 unknown https://doi.org/10.1248/CPB.51.1318
https://doi.org/10.1021/ACS.JNATPROD.5B00090
(2R,3R,4R,5R,6S)-2-[(2S,3S)-4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy]-6-methyloxane-3,4,5-triol 122179015 Click to see CC1C(C(C(C(O1)OCC(CC2=CC(=C(C(=C2)OC)O)OC)C(CC3=CC(=C(C(=C3)OC)O)OC)CO)O)O)O 568.60 unknown https://doi.org/10.1021/ACS.JNATPROD.5B00090
(2R,3R,4R,5R,6S)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-methyloxane-3,4,5-triol 71477642 Click to see CC1C(C(C(C(O1)OCC2C(CC3=CC(=C(C(=C3C2C4=CC(=C(C(=C4)OC)O)OC)OC)O)OC)CO)O)O)O 566.60 unknown https://doi.org/10.1248/CPB.51.1318
https://doi.org/10.1021/ACS.JNATPROD.5B00090
(2R,3R,4R,5R,6S)-2-[[(2R,3R,4R)-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-3-yl]methoxy]-6-methyloxane-3,4,5-triol 122179014 Click to see CC1C(C(C(C(O1)OCC2C(COC2C3=CC(=C(C(=C3)OC)O)OC)CC4=CC(=C(C(=C4)OC)O)OC)O)O)O 566.60 unknown https://doi.org/10.1021/ACS.JNATPROD.5B00090
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methoxy]-6-methyloxane-3,4,5-triol 122179012 Click to see CC1C(C(C(C(O1)OCC2C(COC2C3=CC(=C(C=C3)O)OC)CC4=CC(=C(C=C4)O)OC)O)O)O 506.50 unknown https://doi.org/10.1021/ACS.JNATPROD.5B00090
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-3-yl]methoxy]-6-methyloxane-3,4,5-triol 122179013 Click to see CC1C(C(C(C(O1)OCC2C(COC2C3=CC(=C(C(=C3)OC)O)OC)CC4=CC(=C(C(=C4)OC)O)OC)O)O)O 566.60 unknown https://doi.org/10.1021/ACS.JNATPROD.5B00090
2-[[7-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-methyloxane-3,4,5-triol 85129914 Click to see CC1C(C(C(C(O1)OCC2C(CC3=CC(=C(C=C3C2C4=CC(=C(C=C4)O)OC)O)OC)CO)O)O)O 506.50 unknown https://doi.org/10.1248/CPB.51.1318
2-[[7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 14521083 Click to see COC1=CC(=CC(=C1O)OC)C2C(C(CC3=CC(=C(C(=C23)OC)O)OC)CO)COC4C(C(C(C(O4)CO)O)O)O 582.60 unknown https://doi.org/10.1248/CPB.51.1318
2-[[7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-methyloxane-3,4,5-triol 14704510 Click to see CC1C(C(C(C(O1)OCC2C(CC3=CC(=C(C(=C3C2C4=CC(=C(C(=C4)OC)O)OC)OC)O)OC)CO)O)O)O 566.60 unknown https://doi.org/10.1248/CPB.51.1318
Aviculin 10391477 Click to see CC1C(C(C(C(O1)OCC2C(CC3=CC(=C(C=C3C2C4=CC(=C(C=C4)O)OC)O)OC)CO)O)O)O 506.50 unknown https://doi.org/10.1248/CPB.51.1318
https://doi.org/10.1021/ACS.JNATPROD.5B00090
> Lignans, neolignans and related compounds / Stilbenolignans
1,2-Benzenediol, 4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodioxin-2-yl]- 5279246 Click to see C1=CC2=C(C=C1C=CC3=CC(=CC(=C3)O)O)OC(C(O2)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=C5)O)O 486.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
Butyl hexanoate 12294 Click to see CCCCCC(=O)OCCCC 172.26 unknown via CMAUP database
Butyl octanoate 11517 Click to see CCCCCCCC(=O)OCCCC 200.32 unknown via CMAUP database
Ethyl octanoate 7799 Click to see CCCCCCCC(=O)OCC 172.26 unknown via CMAUP database
Ethyl Oleate 5363269 Click to see CCCCCCCCC=CCCCCCCCC(=O)OCC 310.50 unknown via CMAUP database
Ethyl palmitate 12366 Click to see CCCCCCCCCCCCCCCC(=O)OCC 284.50 unknown via CMAUP database
Ethylene glycol monostearate 24762 Click to see CCCCCCCCCCCCCCCCCC(=O)OCCO 328.50 unknown via CMAUP database
hexyl (2R)-2-methylbutanoate 76960408 Click to see CCCCCCOC(=O)C(C)CC 186.29 unknown via CMAUP database
Hexyl butyrate 17525 Click to see CCCCCCOC(=O)CCC 172.26 unknown via CMAUP database
Hexyl Hexanoate 22873 Click to see CCCCCCOC(=O)CCCCC 200.32 unknown via CMAUP database
Hexyl octanoate 14228 Click to see CCCCCCCC(=O)OCCCCCC 228.37 unknown via CMAUP database
Isoamyl isovalerate 12613 Click to see CC(C)CCOC(=O)CC(C)C 172.26 unknown via CMAUP database
Methyl 2,5-octadecadiynoate 42151 Click to see CCCCCCCCCCCCC#CCC#CC(=O)OC 290.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters
methyl (114C)hexadecanoate 10378565 Click to see CCCCCCCCCCCCCCCC(=O)OC 272.44 unknown via CMAUP database
Methyl 6-octadecenoate 5366845 Click to see CCCCCCCCCCCC=CCCCCC(=O)OC 296.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
(+)-Pinellic acid 9923590 Click to see CCCCCC(C(C=CC(CCCCCCCC(=O)O)O)O)O 330.50 unknown via CMAUP database
(9S,13S,16S)-d10-12-PhytoF(12S,15S) 102339348 Click to see CCC(C1CC(C(O1)C=CC(CCCCCCCC(=O)O)O)O)O 344.40 unknown via CMAUP database
Gallicynoic Acid A 24800364 Click to see CCCCC(C#CC(C=CCCCC(=O)O)O)O 254.32 unknown via CMAUP database
Gallicynoic Acid B 24800193 Click to see CCCCC(C#CC(C=CCCCCC(=O)O)O)O 268.35 unknown via CMAUP database
Gallicynoic Acid C 24800365 Click to see CCCCC(C#CC(C=CCCCCCC(=O)O)O)O 282.37 unknown via CMAUP database
Gallicynoic Acid D 24800194 Click to see CCCCC(C#CC(C=CCCCCCCCC(=O)O)O)O 310.40 unknown via CMAUP database
Gallicynoic Acid H 24800368 Click to see CCCCC(C#CC(CCCCCCCC(=O)O)O)O 284.39 unknown via CMAUP database
Heneicosanoic acid 16898 Click to see CCCCCCCCCCCCCCCCCCCCC(=O)O 326.60 unknown via CMAUP database
Nonadecanoic acid 12591 Click to see CCCCCCCCCCCCCCCCCCC(=O)O 298.50 unknown via CMAUP database
Oleic Acid 445639 Click to see CCCCCCCCC=CCCCCCCCC(=O)O 282.50 unknown via CMAUP database
Palmitoleate 5461012 Click to see CCCCCCC=CCCCCCCCC(=O)[O-] 253.40 unknown via CMAUP database
Palmitoleic Acid 445638 Click to see CCCCCCC=CCCCCCCCC(=O)O 254.41 unknown via CMAUP database
Pentadecanoate 22169126 Click to see CCCCCCCCCCCCCCC(=O)[O-] 241.39 unknown via CMAUP database
Pinellic acid 9858729 Click to see CCCCCC(C(C=CC(CCCCCCCC(=O)O)O)O)O 330.50 unknown via CMAUP database
Stearic Acid 5281 Click to see CCCCCCCCCCCCCCCCCC(=O)O 284.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
(3E,9E)-undeca-3,9-dienoic acid 52914864 Click to see CC=CCCCCC=CCC(=O)O 182.26 unknown via CMAUP database
Caproic Acid 8892 Click to see CCCCCC(=O)O 116.16 unknown via CMAUP database
Dodecanoate 4149208 Click to see CCCCCCCCCCCC(=O)[O-] 199.31 unknown via CMAUP database
Nonanedioate 3801344 Click to see C(CCCC(=O)[O-])CCCC(=O)[O-] 186.20 unknown via CMAUP database
Nonanoic Acid 8158 Click to see CCCCCCCCC(=O)O 158.24 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Straight chain fatty acids
2-Butenoic acid 19499 Click to see CC=CC(=O)O 86.09 unknown via CMAUP database
Butyric Acid 264 Click to see CCCC(=O)O 88.11 unknown via CMAUP database
Crotonic acid 637090 Click to see CC=CC(=O)O 86.09 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids
Triacontanoic acid 10471 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O 452.80 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
(2E)-2-Hexenoic acid beta-D-glucopyranosyl ester 101347691 Click to see CCCC=CC(=O)OC1C(C(C(C(O1)CO)O)O)O 276.28 unknown via CMAUP database
(4S)-4-[(E,3R)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxybut-1-enyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one 15747356 Click to see CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)O)(C)C 518.60 unknown via CMAUP database
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 via CMAUP database
Linalool-3-Rutinoside 21630850 Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C)(CCC=C(C)C)C=C)O)O)O)O)O)O 462.50 unknown via CMAUP database
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 via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters
Octyl butyrate 61030 Click to see CCCCCCCCOC(=O)CCC 200.32 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
(3R,6S)-2,6-dimethyloct-7-ene-2,3,6-triol 10856240 Click to see CC(C)(C(CCC(C)(C=C)O)O)O 188.26 unknown via CMAUP database
1-Dodecanol 8193 Click to see CCCCCCCCCCCCO 186.33 unknown via CMAUP database
1-Hexanol 8103 Click to see CCCCCCO 102.17 unknown via CMAUP database
1-Triacontanol 68972 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO 438.80 unknown via CMAUP database
3,5,5-Trimethyl-1-hexanol 18938 Click to see CC(CCO)CC(C)(C)C 144.25 unknown via CMAUP database
3,9-Diethyl-6-tridecanol 225882 Click to see CCCCC(CC)CCC(CCC(CC)CC)O 256.50 unknown via CMAUP database
Ethyl 9-hydroxynonanoate 3613654 Click to see CCOC(=O)CCCCCCCCO 202.29 unknown via CMAUP database
Nonan-1-ol 8914 Click to see CCCCCCCCCO 144.25 unknown via CMAUP database
trans-3-Hexen-1-ol 5284503 Click to see CCC=CCCO 100.16 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
Stearyl Alcohol 8221 Click to see CCCCCCCCCCCCCCCCCCO 270.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty aldehydes
Hexacosanal 3084462 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCC=O 380.70 unknown via CMAUP database
Hexadecanal 984 Click to see CCCCCCCCCCCCCCCC=O 240.42 unknown via CMAUP database
Octacosanal 3084376 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O 408.70 unknown via CMAUP database
Octadecanal 12533 Click to see CCCCCCCCCCCCCCCCCC=O 268.50 unknown via CMAUP database
Triacontanal 3084375 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O 436.80 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
(10e,15z)-9,12,13-Trihydroxyoctadeca-10,15-dienoic acid 44559173 Click to see CCC=CCC(C(C=CC(CCCCCCCC(=O)O)O)O)O 328.40 unknown via CMAUP database
(9S,10E,12S,13S,14E,16R)-9,12,13,16-tetrahydroxyoctadeca-10,14-dienoic acid 102339345 Click to see CCC(C=CC(C(C=CC(CCCCCCCC(=O)O)O)O)O)O 344.40 unknown via CMAUP database
(9S,10E,12S,13S,14E,16S)-9,12,13,16-tetrahydroxyoctadeca-10,14-dienoic acid 102339344 Click to see CCC(C=CC(C(C=CC(CCCCCCCC(=O)O)O)O)O)O 344.40 unknown via CMAUP database
(9S,10E,12S,13S,14E)-9,12,13-trihydroxy-16-oxooctadeca-10,14-dienoic acid 102339346 Click to see CCC(=O)C=CC(C(C=CC(CCCCCCCC(=O)O)O)O)O 342.40 unknown via CMAUP database
(9S,10E,12S,13S,15S,16E)-9,12,13,15-tetrahydroxyoctadeca-10,16-dienoic acid 102339347 Click to see CC=CC(CC(C(C=CC(CCCCCCCC(=O)O)O)O)O)O 344.40 unknown via CMAUP database
9,12-Octadecadienoate 5867807 Click to see CCCCCC=CCC=CCCCCCCCC(=O)[O-] 279.40 unknown via CMAUP database
Linoleic Acid 5280450 Click to see CCCCCC=CCC=CCCCCCCCC(=O)O 280.40 unknown via CMAUP database
Methyl linoleate 5284421 Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC 294.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Glycerolipids / Monoradylglycerols / Monoacylglycerols / 1-monoacylglycerols
(2R)-2,3-Dihydroxypropyl acetate 6999061 Click to see CC(=O)OCC(CO)O 134.13 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Tigliane and ingenane diterpenoids / Phorbol esters
Phorbol 12-myristate 13-acetate 27924 Click to see CCCCCCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)C)O)C 616.80 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
Linalool, (-)- 443158 Click to see CC(=CCCC(C)(C=C)O)C 154.25 unknown via CMAUP database
Linalool, (+/-)- 6549 Click to see CC(=CCCC(C)(C=C)O)C 154.25 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
(+)-Neomenthol 439263 Click to see CC1CCC(C(C1)O)C(C)C 156.26 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(2S)-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-ol 71553170 Click to see CC1=C(C(CCC1)(C)C)CCC(C)O 196.33 unknown via CMAUP database
(4R)-4-hydroxy-4-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one 25755221 Click to see CC1=CC(=O)CC(C1(CCC(C)O)O)(C)C 226.31 unknown via CMAUP database
Alpha-Farnesene 5281516 Click to see CC(=CCCC(=CCC=C(C)C=C)C)C 204.35 unknown via CMAUP database
Dehydrovomifoliol 688492 Click to see CC1=CC(=O)CC(C1(C=CC(=O)C)O)(C)C 222.28 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 / Terpene glycosides
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol 15612565 Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC=C(C)CCC=C(C)C)O)O)O)O)O)O 462.50 unknown via CMAUP database
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol 15624182 Click to see CC(=CCCC(=CCOC1C(C(C(C(O1)COC2C(C(C(O2)CO)O)O)O)O)O)C)C 448.50 unknown via CMAUP database
Geranyl 6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranoside 15624181 Click to see CC(=CCCC(=CCOC1C(C(C(C(O1)COC2C(C(C(O2)CO)O)O)O)O)O)C)C 448.50 unknown via CMAUP database
Neryl 6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranoside 15612566 Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC=C(C)CCC=C(C)C)O)O)O)O)O)O 462.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
(2R,3R,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid 10055182 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C2C1)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C 664.80 unknown https://doi.org/10.1055/S-2003-38884
2,3-Dihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid 74428167 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C2C1)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C 664.80 unknown https://doi.org/10.1055/S-2003-38884
NCGC00169718-03_C36H56O12_beta-D-Glucopyranose, 1-O-[(2alpha,3beta,5xi,9xi)-2,3,19,24-tetrahydroxy-24,28-dioxours-12-en-28-yl]- 14707004 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C2C1(C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O 680.80 unknown https://doi.org/10.1055/S-2003-38884
Trachelosperoside A-1 21637743 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C2C1(C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O 680.80 unknown https://doi.org/10.1055/S-2003-38884
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes
(6'S)-beta,epsilon-carotene 6419724 Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C 536.90 unknown via CMAUP database
15-cis-Phytoene 9963391 Click to see CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C 544.90 unknown via CMAUP database
Beta-Carotene 5280489 Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C 536.90 unknown via CMAUP database
gamma-Carotene 5280791 Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C 536.90 unknown via CMAUP database
Lycopene 446925 Click to see CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C 536.90 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
(3S,5R,8R,3'R)-mutatoxanthin 21765300 Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2C=C3C(CC(CC3(O2)C)O)(C)C)C)C 584.90 unknown via CMAUP database
Antheraxanthin 5281223 Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C 584.90 unknown via CMAUP database
Cryptoxanthin 5281235 Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C 552.90 unknown via CMAUP database
Flavoxanthin 5281238 Click to see CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2C=C3C(CC(CC3(O2)C)O)(C)C)C)C)(C)C)O 584.90 unknown via CMAUP database
Lutein 5281243 Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C 568.90 unknown via CMAUP database
Lutein 5,6-epoxide 5281244 Click to see CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C)(C)C)O 584.90 unknown via CMAUP database
Neoxanthin 5282217 Click to see CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(CC(CC1(C)O)O)(C)C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C 600.90 unknown via CMAUP database
Violaxanthin 448438 Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C 600.90 unknown via CMAUP database
Zeaxanthin 5280899 Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C 568.90 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(10R)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid 45358157 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O 456.70 unknown via CMAUP database
(1R,2S,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid 162944724 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O 472.70 unknown https://doi.org/10.1248/CPB.51.1318
(1R,3aS,5aR,5bR,7aR,9R,10R,11aR,11bR,13aR,13bS)-9,10-dihydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid 124899932 Click to see CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)O)O)C)C)C(=O)O 472.70 unknown https://doi.org/10.1248/CPB.51.1318
(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aS,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid 11897956 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O 456.70 unknown via CMAUP database
(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
(1R,3aS,5aS,5bR,9R,10R,11aR)-9,10-dihydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid 470606 Click to see CC(=C)C1CCC2(C1C3=CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)O)O)C)C)C(=O)O 470.70 unknown https://doi.org/10.1248/CPB.51.1318
(1S,2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid 45483617 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O 456.70 unknown via CMAUP database
(1S,2S,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 163187258 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O 488.70 unknown https://doi.org/10.1248/CPB.51.1318
(1S,2S,4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 162917200 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O 488.70 unknown https://doi.org/10.1248/CPB.51.1318
(2R,3R,4R,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid 69569684 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C2C1(C)O)C)C(=O)O 518.70 unknown https://doi.org/10.1055/S-2003-38884
(2R,3R,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid 10029042 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C2C1)C)C(=O)O)C 502.70 unknown https://doi.org/10.1055/S-2003-38884
(3a,5a,5b,8,8,11a-Hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl) 3-(3,4-dihydroxyphenyl)prop-2-enoate 73101157 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)O)C)C 588.90 unknown https://doi.org/10.1248/CPB.51.1318
(3S,4aS,6aR,6bS,8aS,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol 154496541 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)CO)C 442.70 unknown https://doi.org/10.1248/CPB.51.1318
(4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-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 45483610 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C 456.70 unknown via CMAUP database
(4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bR)-10,11-dihydroxy-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 7163260 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C 472.70 unknown https://doi.org/10.1248/CPB.51.1318
(6S,10R,15S,19R)-2,6,10,15,19,23-hexamethyltetracosane 73416503 Click to see CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C 422.80 unknown via CMAUP database
[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bS,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate 162878113 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C=CC6=CC=C(C=C6)O)C)CO 588.90 unknown https://doi.org/10.1248/CPB.51.1318
[(1R,3aS,5aR,5bR,7aR,9S,11aS,11bR,13aR,13bS)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 162894263 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)O)C)CO 604.90 unknown https://doi.org/10.1248/CPB.51.1318
[(1R,3aS,5aR,5bR,7aS,9S,11aR,11bS,13aS,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate 162878112 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C=CC6=CC=C(C=C6)O)C)CO 588.90 unknown https://doi.org/10.1248/CPB.51.1318
[3a-(Hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate 72518979 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)O)C)CO 604.90 unknown https://doi.org/10.1248/CPB.51.1318
2,3-Dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid 436072 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C2C1)C)C(=O)O)C 502.70 unknown https://doi.org/10.1055/S-2003-38884
2,3-Dihydroxyolean-12-en-28-oic acid 3694932 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C 472.70 unknown https://doi.org/10.1248/CPB.51.1318
23-Hydroxybetulin 14605681 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)O)C)CO 458.70 unknown https://doi.org/10.1248/CPB.51.1318
3-Hydroxyolean-12-en-28-oic acid 619166 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C 456.70 unknown https://doi.org/10.1055/S-2003-38884
3-O-(E)-p-Coumaroylbetulin 12086730 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C=CC6=CC=C(C=C6)O)C)CO 588.90 unknown https://doi.org/10.1248/CPB.51.1318
3a,8-Bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol 14605680 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)O)C)CO 458.70 unknown https://doi.org/10.1248/CPB.51.1318
9-Hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid 2371 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O 456.70 unknown https://doi.org/10.1248/CPB.51.1318
9,10-Dihydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid 12305767 Click to see CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)O)O)C)C)C(=O)O 472.70 unknown https://doi.org/10.1248/CPB.51.1318
Alphitolic acid 12305768 Click to see CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)O)O)C)C)C(=O)O 472.70 unknown https://doi.org/10.1248/CPB.51.1318
Avenacin A 1 174808 Click to see CC12CCC(C(C1CCC3(C2CC4C5(C3(CC(C6(C5CC(C(C6)OC(=O)C7=CC=CC=C7NC)(C)C=O)C)O)C)O4)C)(C)CO)OC8C(C(C(CO8)OC9C(C(C(C(O9)CO)O)O)O)O)OC1C(C(C(C(O1)CO)O)O)O 1094.20 unknown via CMAUP database
beta-Ursolic acid 220774 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-2003-38884
Betulin 72326 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO 442.70 unknown https://doi.org/10.1248/CPB.51.1318
Betulin caffeate 10153267 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)O)C)CO 604.90 unknown https://doi.org/10.1248/CPB.51.1318
Betulinic Acid 64971 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O 456.70 unknown https://doi.org/10.1248/CPB.51.1318
Caffeoxylupeol 12149208 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)O)C)C 588.90 unknown https://doi.org/10.1248/CPB.51.1318
Colosolic acid 15917996 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O 472.70 unknown https://doi.org/10.1248/CPB.51.1318
Corosin 286498 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C2C1(C)O)C)C(=O)O 518.70 unknown https://doi.org/10.1055/S-2003-38884
Corosolic acid 6918774 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O 472.70 unknown https://doi.org/10.1248/CPB.51.1318
dimethyl (2R,3R,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate 162948271 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)OC)O)O)C)C)C2C1)C)C(=O)OC)C 530.70 unknown https://doi.org/10.1055/S-2003-38884
Dimethyl 2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate 14587742 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)OC)O)O)C)C)C2C1)C)C(=O)OC)C 530.70 unknown https://doi.org/10.1055/S-2003-38884
Erythrodiol 101761 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)CO)C 442.70 unknown https://doi.org/10.1248/CPB.51.1318
Euscaphic Acid 471426 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O 488.70 unknown https://doi.org/10.1248/CPB.51.1318
Jacarandic acid 13653335 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O 488.70 unknown https://doi.org/10.1248/CPB.51.1318
Lup-20(29)-ene-3beta,28-diol 221023 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO 442.70 unknown https://doi.org/10.1248/CPB.51.1318
Lupa-20(29)-ene-3beta,28-diol 3-(4-hydroxy-cis-cinnamate) 101756120 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C=CC6=CC=C(C=C6)O)C)CO 588.90 unknown https://doi.org/10.1248/CPB.51.1318
Maslinic Acid 73659 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C 472.70 unknown https://doi.org/10.1248/CPB.51.1318
Olean-12-ene-3,28-diol 608886 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)CO)C 442.70 unknown https://doi.org/10.1248/CPB.51.1318
Oleanolic Acid 10494 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C 456.70 unknown https://doi.org/10.1055/S-2003-38884
Oleanolic Acid (Caryophyllin) 49867939 Click to see CC1(CC2C(CCC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C(C1)C(=O)O)C 456.70 unknown via CMAUP database
Oleanolic aldehyde 10321055 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C=O)C 440.70 unknown via CMAUP database
Tormentic acid 73193 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O 488.70 unknown https://doi.org/10.1248/CPB.51.1318
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-2003-38884
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Pregnane steroids / Gluco/mineralocorticoids, progestogins and derivatives
Hydroxyprogesterone Caproate 169870 Click to see CCCCCC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)C 428.60 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid esters
Testosterone Enanthate 9416 Click to see CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C 400.60 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
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/10.1248/CPB.51.1318
24-Ethylcholest-5-en-3beta-ol 22012 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 414.70 unknown https://doi.org/10.1248/CPB.51.1318
Beta-Sitosterol 222284 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 414.70 unknown https://doi.org/10.1248/CPB.51.1318
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
> Organic acids and derivatives / Carbothioic S-acids
pentadecanethioic S-acid 18413781 Click to see CCCCCCCCCCCCCCC(=O)S 258.50 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Leucine and derivatives
(2S,3R)-2-amino-3-hydroxy-4-methylpentanoic acid 6994743 Click to see CC(C)C(C(C(=O)O)N)O 147.17 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Phenylalanine and derivatives
4-Iodo-N-methylphenylalanine 17933024 Click to see CNC(CC1=CC=C(C=C1)I)C(=O)O 305.11 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides / Oligopeptides
Papain Inhibitor 3705436 Click to see C1=CC(=CC=C1CC(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)CN)O 451.50 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Alpha,beta-unsaturated carboxylic esters / Enoate esters
Glycidyl methacrylate 7837 Click to see CC(=C)C(=O)OCC1CO1 142.15 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
Ethyl 3-(methylthio)propionate 61592 Click to see CCOC(=O)CCSC 148.23 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
(E)-but-2-enedioate;hydron 21883788 Click to see [H+].[H+].C(=CC(=O)[O-])C(=O)[O-] 116.07 unknown via CMAUP database
Butanedioate;hydron 21952380 Click to see [H+].[H+].C(CC(=O)[O-])C(=O)[O-] 118.09 unknown via CMAUP database
Lauric anhydride 69527 Click to see CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC 382.60 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Tetracarboxylic acids and derivatives
3,4,5-Tris(acetyloxy)benzoic acid 95088 Click to see CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)O 296.23 unknown via CMAUP database
> 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
2-[(4S)-4-hydroxy-3,6-dioxodioxan-4-yl]acetic acid 54759166 Click to see C1C(=O)OOC(=O)C1(CC(=O)O)O 190.11 unknown via CMAUP database
cis-Aconitic acid 643757 Click to see C(C(=CC(=O)O)C(=O)O)C(=O)O 174.11 unknown via CMAUP database
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
(2R)-2-hydroxy(313C)butanedioic acid 10953564 Click to see C(C(C(=O)O)O)C(=O)O 135.08 unknown via CMAUP database
(2S)-2-Hydroxybutanedioic acid 222656 Click to see C(C(C(=O)O)O)C(=O)O 134.09 unknown via CMAUP database
> Organic acids and derivatives / Hydroxy acids and derivatives / Medium-chain hydroxy acids and derivatives
9-Hydroxynonanoic acid 138052 Click to see C(CCCCO)CCCC(=O)O 174.24 unknown https://doi.org/10.1007/S11745-014-3953-0
Gallicynoic Acid G 24800367 Click to see CCCCC(C#CC(CCCC(=O)O)O)O 228.28 unknown via CMAUP database
> Organic oxygen compounds / Organic oxides
2-Methylpentanal 31245 Click to see CCCC(C)C=O 100.16 unknown via CMAUP database
beta-Cyclocitral 9895 Click to see CC1=C(C(CCC1)(C)C)C=O 152.23 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
Chlorogenic Acid 1794427 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 354.31 unknown via CMAUP database
Chlorogensaure 12310830 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
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 / Cyclitols and derivatives / Shikimic acids and derivatves
Bracken fern toxic component 49867941 Click to see C1C(C(C(C=C1C(=O)O)O)O)O 174.15 unknown via CMAUP database
Shikimic acid 8742 Click to see C1C(C(C(C=C1C(=O)O)O)O)O 174.15 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Polyols / 1,2-diols
(R,R)-2,3-butanediol 225936 Click to see CC(C(C)O)O 90.12 unknown via CMAUP database
S-1,2-Propanediol 439846 Click to see CC(CO)O 76.09 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols
(Cyclobut-2-en-1-yl)methanol 13815416 Click to see C1C=CC1CO 84.12 unknown via CMAUP database
3-Buten-1-ol 69389 Click to see C=CCCO 72.11 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
(3R)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-1-en-3-ol 92222182 Click to see CC1(C(O1)CCC(C)(C=C)O)C 170.25 unknown via CMAUP database
2,6-Dimethyl-5,7-octadien-2-ol 5368785 Click to see CC(=CCCC(C)(C)O)C=C 154.25 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Cyanogenic glycosides
Amygdalin 656516 Click to see C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O 457.40 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
(2R,3R,4R,5R,6S)-2-[[(1S,2S,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-methyloxane-3,4,5-triol 157239638 Click to see CC1C(C(C(C(O1)OCC2C(CC3=CC(=C(C=C3C2C4=CC(=C(C=C4)O)OC)O)OC)OC)O)O)O 506.50 unknown https://doi.org/10.1248/CPB.51.1318
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
2-(Hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol 13922637 Click to see COC1=CC(=CC(=C1OC)OC)OC2C(C(C(C(O2)CO)O)O)O 346.33 unknown https://doi.org/10.1248/CPB.51.1318
Koaburaside monomethyl ether 636454 Click to see COC1=CC(=CC(=C1OC)OC)OC2C(C(C(C(O2)CO)O)O)O 346.33 unknown https://doi.org/10.1248/CPB.51.1318
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives
(2R)-2,3-Dihydroxypropanoic acid 439194 Click to see C(C(C(=O)O)O)O 106.08 unknown via CMAUP database
d-Tartaric acid 439655 Click to see C(C(C(=O)O)O)(C(=O)O)O 150.09 unknown via CMAUP database
L-Tartaric acid 444305 Click to see C(C(C(=O)O)O)(C(=O)O)O 150.09 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar alcohols
Glycerin 753 Click to see C(C(CO)O)O 92.09 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes
3-Furaldehyde 10351 Click to see C1=COC=C1C=O 96.08 unknown via CMAUP database
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 / Aldehydes / Medium-chain aldehydes
2-Hexenal 5281168 Click to see CCCC=CC=O 98.14 unknown via CMAUP database
2-Undecenal 5283356 Click to see CCCCCCCCC=CC=O 168.28 unknown via CMAUP database
2,4-Hexadienal 637564 Click to see CC=CC=CC=O 96.13 unknown via CMAUP database
cis-3-Hexenal 643941 Click to see CCC=CCC=O 98.14 unknown via CMAUP database
Nonanal 31289 Click to see CCCCCCCCC=O 142.24 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Enones
(E)-1-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]but-2-en-1-one 92254819 Click to see CC=CC(=O)C1=C(CC(CC1(C)C)O)C 208.30 unknown via CMAUP database
Damascenone 5366074 Click to see CC=CC(=O)C1=C(C=CCC1(C)C)C 190.28 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes
Protocatechualdehyde 8768 Click to see C1=CC(=C(C=C1C=O)O)O 138.12 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
2beta,6,6-Trimethylcyclohexane-1,4-dione 60090780 Click to see CC1CC(=O)CC(C1=O)(C)C 154.21 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
4-(But-2-en-1-ylidene)-3,5,5-trimethylcyclohex-2-enone 18645216 Click to see CC=CC=C1C(=CC(=O)CC1(C)C)C 190.28 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones / Beta-hydroxy ketones
Diacetone Alcohol 31256 Click to see CC(=O)CC(C)(C)O 116.16 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Ethers / Dialkyl ethers
2-(2-Butoxyethoxy)ethanol 8177 Click to see CCCCOCCOCCO 162.23 unknown via CMAUP database
2-Butoxyethanol 8133 Click to see CCCCOCCO 118.17 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Ethers / Dialkyl ethers / Polyethylene glycols
Tetraethylene Glycol 8200 Click to see C(COCCOCCOCCO)O 194.23 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Ketene acetals
(1Z,3E)-1,4-diaminobuta-1,3-diene-1,4-diolate 53338995 Click to see C(=C(N)[O-])C=C(N)[O-] 114.10 unknown via CMAUP database
> Organoheterocyclic compounds / Benzofurans
(S)-4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one 157995 Click to see CC1(CCCC2(C1=CC(=O)O2)C)C 180.24 unknown via CMAUP database
Dehydrololiolide, (R)- 14158699 Click to see CC1(CC(=O)CC2(C1=CC(=O)O2)C)C 194.23 unknown via CMAUP database
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans
2-[(2S)-5-oxo-3-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-2H-furan-2-yl]acetic acid 101345908 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)OC3CC(=O)O)O 322.27 unknown via CMAUP database
Viniferone A 101345907 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)OC3CC(=O)O)O 322.27 unknown via CMAUP database
Viniferone C 101345909 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)OC3CC(=O)O)O 322.27 unknown via CMAUP database
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
2,3-Dimethylmaleic anhydride 13010 Click to see CC1=C(C(=O)OC1=O)C 126.11 unknown via CMAUP database
4,5-Dimethyl-3-hydroxy-2,5-dihydro-2-furanone, (-)- 12799212 Click to see CC1C(=C(C(=O)O1)O)C 128.13 unknown via CMAUP database
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 / Dihydrothiophenes
2,3-Dihydrothiophene 136880 Click to see C1CSC=C1 86.16 unknown via CMAUP database
> Organoheterocyclic compounds / Furofurans / Isosorbides
Isosorbide Mononitrate 27661 Click to see C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O 191.14 unknown via CMAUP database
> Organoheterocyclic compounds / Imidolactams
Oxazol-4-amine 21655019 Click to see C1=C(N=CO1)N 84.08 unknown via CMAUP database
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
(5R)-5-ethoxyoxolan-2-one 59947682 Click to see CCOC1CCC(=O)O1 130.14 unknown via CMAUP database
gamma-Butyrolactone 7302 Click to see C1CC(=O)OC1 86.09 unknown via CMAUP database
> Organoheterocyclic compounds / Oxanes
(3R,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol 6428574 Click to see CC1(C(CCC(O1)(C)C=C)O)C 170.25 unknown via CMAUP database
> Organoheterocyclic compounds / Oxolanes
(2S,5S)-2,6,6-trimethyl-10-methylidene-1-oxaspiro[4.5]dec-8-ene 15624541 Click to see CC1CCC2(O1)C(=C)C=CCC2(C)C 192.30 unknown via CMAUP database
2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, (2R,5R)-rel- 6431475 Click to see CC1(CCC(O1)C(C)(C)O)C=C 170.25 unknown via CMAUP database
2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, cis- 11116492 Click to see CC1(CCC(O1)C(C)(C)O)C=C 170.25 unknown via CMAUP database
cis-Linalool oxide, carbamate 91752909 Click to see CC1(CCC(O1)C(C)(C)OC(=O)N)C=C 213.27 unknown via CMAUP database
cis-Vitispirane 91748031 Click to see CC1CCC2(O1)C(=C)C=CCC2(C)C 192.30 unknown via CMAUP database
> Organoheterocyclic compounds / Pyrans / Pyranones and derivatives
6-(Hydroxymethyl)-4-oxopyran-3-olate 25202640 Click to see C1=C(OC=C(C1=O)[O-])CO 141.10 unknown via CMAUP database
Kojic acid 3840 Click to see C1=C(OC=C(C1=O)O)CO 142.11 unknown via CMAUP database
> Organoheterocyclic compounds / Pyridines and derivatives / Bipyridines and oligopyridines
pterocellin E 24770105 Click to see CC(C)CC1=NC=CC2=C1N3C=C(C(=O)C(=C3C2=O)C4=C5C(=O)C6=C(N5C=C(C4=O)OC)C(=NC=C6)CC(C)C)OC 566.60 unknown via CMAUP database
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridinecarboxylic acids and derivatives
Pterocellin C 24770104 Click to see CC(C)CC1=NC=CC2=C1N3C=C(C(=O)C(=C3C2=O)CCCCC(=O)C)OC 382.50 unknown via CMAUP database
pterocellin D 24770102 Click to see CC(C)CC1=NC=CC2=C1N3C=C(C(=O)C(=C3C2=O)C(C)C)OC 326.40 unknown via CMAUP database
Pterocellin F 24770103 Click to see CC(C)CC1=NC=CC2=C1N3C=C(C(=O)C(=C3C2=O)CC4=C5C(=O)C6=C(N5C=C(C4=O)OC)C(=NC=C6)CC(C)C)OC 580.60 unknown via CMAUP database
Pyrido[4,3-b]indolizine-5,7-dione, 8-methoxy-1-(2-methylpropyl)- 9971118 Click to see CC(C)CC1=NC=CC2=C1N3C=C(C(=O)C=C3C2=O)OC 284.31 unknown via CMAUP database
Pyrido[4,3-b]indolizine-5,7-dione, 8-methoxy-1-(phenylmethyl)- 10426008 Click to see COC1=CN2C(=CC1=O)C(=O)C3=C2C(=NC=C3)CC4=CC=CC=C4 318.30 unknown via CMAUP database
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
(-)-Ampelopsin A 60065970 Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)O)O 470.50 unknown via CMAUP database
(-)-Hopeaphenol 44334030 Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7C(C8=C(C=C(C=C8O)O)C9C(OC1=CC(=CC7=C91)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O 906.90 unknown via CMAUP database
(+)-epsilon-Viniferin 5315233 Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O 454.50 unknown via CMAUP database
(+)-Viniferol E 101725651 Click to see C1=CC(=CC=C1C2C(C(C(O2)C3=CC=C(C=C3)O)C4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=CC(=CC(=C7)O)O)C8=C9C(C(OC9=CC(=C8)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O 924.90 unknown via CMAUP database
(+)-Vitisin C 16145527 Click to see C1=CC(=CC=C1C2C(C3=C(C=C(C=C3O2)O)C=CC4=CC5=C(C=C4)OC(C5C6=C7C(C(OC7=CC(=C6)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O 906.90 unknown via CMAUP database
(1R,2S,3S,9R,10R,17R)-2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol 59409135 Click to see C1=CC(=CC=C1C2C(C3C(C4=C(C=C(C=C4O)O)C5C(OC6=C5C3=C2C(=C6)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)O 680.70 unknown via CMAUP database
(1R,4S,5S,11R,12R,15S,16S,22R)-4,15-bis(3,5-dihydroxyphenyl)-5,11,16,22-tetrakis(4-hydroxyphenyl)-6,17-dioxahexacyclo[10.10.0.02,10.03,7.013,21.014,18]docosa-2(10),3(7),8,13(21),14(18),19-hexaene-9,20-diol 10795822 Click to see C1=CC(=CC=C1C2C3C(C(C4=C3C5=C(C=C4O)OC(C5C6=CC(=CC(=C6)O)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=C2C(=CC1=C9C(C(O1)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O 906.90 unknown via CMAUP database
(1S,2R,3R,9R,10R,17R)-2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol 101383933 Click to see C1=CC(=CC=C1C2C(C3C(C4=C(C=C(C=C4O)O)C5C(OC6=C5C3=C2C(=C6)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)O 680.70 unknown via CMAUP database
(1S,2R,3R,9S,10S,17S)-2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol 9917932 Click to see C1=CC(=CC=C1C2C(C3C(C4=C(C=C(C=C4O)O)C5C(OC6=C5C3=C2C(=C6)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)O 680.70 unknown via CMAUP database
(1S,2S,3S,9S,10S,17R)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol 101191783 Click to see C1=CC(=CC=C1C2C3C(C4=C(C=C(C=C4O)O)C5C(OC6=C5C3=C(C2C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)C(=C6)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O 906.90 unknown via CMAUP database
(1S,2S,3S,9S,10S,17S)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol 101110191 Click to see C1=CC(=CC=C1C2C3C(C4=C(C=C(C=C4O)O)C5C(OC6=C5C3=C(C2C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)C(=C6)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O 906.90 unknown via CMAUP database
(1S,8S,9R,16S)-9-[5-[(E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-4-yl]ethenyl]-2-hydroxyphenyl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol 100952761 Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7=C(C=CC(=C7)C=CC8=C9C(=CC(=C8)O)OC(=C9C1=CC(=CC(=C1)O)O)C1=CC=C(C=C1)O)O)O 904.90 unknown via CMAUP database
(1S,8S,9R,16S)-9-[5-[(Z)-2-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-hydroxyphenyl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol 102120913 Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7=C(C=CC(=C7)C=CC8=C9C(C(OC9=CC(=C8)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O 906.90 unknown via CMAUP database
(2R,3R,4R,5R,6S)-2-[[(2R,3S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-methyloxane-3,4,5-triol 122179011 Click to see CC1C(C(C(C(O1)OCC2C(OC3=C2C=C(C=C3OC)CCCO)C4=CC(=C(C(=C4)OC)O)OC)O)O)O 536.60 unknown https://doi.org/10.1021/ACS.JNATPROD.5B00090
(2R,3R,4R,5R,6S)-2-[[(2S,3R)-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-methyloxane-3,4,5-triol 122179010 Click to see CC1C(C(C(C(O1)OCC2C(OC3=C2C=C(C=C3OC)CCCO)C4=CC(=C(C(=C4)OC)O)OC)O)O)O 536.60 unknown https://doi.org/10.1021/ACS.JNATPROD.5B00090
(2R,3S)-cis-epsilon-viniferin 72551485 Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O 454.50 unknown via CMAUP database
(2S,3R)-cis-epsilon-viniferin 72551486 Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O 454.50 unknown via CMAUP database
(2s,3s)-3-(3,5-Dihydroxyphenyl)-2-(4-Hydroxyphenyl)-4-[(E)-2-(4-Hydroxyphenyl)ethenyl]-2,3-Dihydro-1-Benzofuran-6-Yl Beta-D-Glucopyranoside 46890010 Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)O 616.60 unknown via CMAUP database
(2S,3S)-trans-delta-viniferin 10095474 Click to see C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)O)O)O 454.50 unknown via CMAUP database
(7R,8S)-dihydrodehydrodiconiferyl alcohol 9-O-beta-D-glucopyranoside 44577121 Click to see COC1=CC(=CC2=C1OC(C2COC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)OC)CCCO 522.50 unknown https://doi.org/10.1021/ACS.JNATPROD.5B00090
2-(4-Hydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4-(4-hydroxystyryl)benzofuran-6-ol 9803898 Click to see C1=CC(=CC=C1C=CC2=C3C(=CC(=C2)O)OC(=C3C4=CC(=CC(=C4)O)O)C5=CC=C(C=C5)O)O 452.50 unknown via CMAUP database
3-[2alpha-(3-Methoxy-4-hydroxyphenyl)-3beta-(alpha-L-rhamnopyranosyloxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]-1-propanol 102284482 Click to see CC1C(C(C(C(O1)OCC2C(OC3=C2C=C(C=C3OC)CCCO)C4=CC(=C(C=C4)O)OC)O)O)O 506.50 unknown https://doi.org/10.1021/ACS.JNATPROD.5B00090
3-Hydroxy-5-[2-[2,3-dihydro-2alpha-(4-hydroxyphenyl)-3beta-(3,5-dihydroxyphenyl)benzofuran-5-yl]ethenyl]phenyl beta-D-glucopyranoside 10555800 Click to see C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=CC(=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC(=CC(=C6)O)O)O 616.60 unknown via CMAUP database
4-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[(E)-2-(4-hydroxyphenyl)vinyl]-2,3-dihydrobenzofuran-2-yl]benzene-1,2-diol 5279244 Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O 470.50 unknown via CMAUP database
5-[(2R,3R,5S,6S)-3-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-5-yl]benzene-1,3-diol 11765134 Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC4=C2C(C(O4)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O 680.70 unknown via CMAUP database
5-[(2R,3R)-7-hydroxy-5-[(2S,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol 102004665 Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC6=C(C(=C5)O)OC(C6C7=CC(=CC(=C7)O)O)C8=CC=C(C=C8)O)O 680.70 unknown via CMAUP database
5-[(2R,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol 5315234 Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O 454.50 unknown via CMAUP database
5-[(2S,3S)-4-[(2R,3R)-5-[(E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol 100952762 Click to see C1=CC(=CC=C1C2C(C3=C(C=C(C=C3O2)O)C4C(OC5=C4C=C(C=C5)C=CC6=C7C(=CC(=C6)O)OC(=C7C8=CC(=CC(=C8)O)O)C9=CC=C(C=C9)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O 904.90 unknown via CMAUP database
5-[(2S,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol 91060526 Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O 454.50 unknown via CMAUP database
Alpha-Viniferin 196402 Click to see C1=CC(=CC=C1C2C3C4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=C3C(=CC(=C1)O)O2)O 678.70 unknown via CMAUP database
Ampelopsin A 182999 Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)O)O 470.50 unknown via CMAUP database
Ampelopsin E 10439550 Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC4=C2C(C(O4)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O 680.70 unknown via CMAUP database
CID 16138152 16138152 Click to see C1=CC(=CC=C1C2C(C3=C(C=C(C=C3O2)O)C=CC4=CC5=C(C=C4)OC(C5C6=C7C(C(OC7=CC(=C6)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O 906.90 unknown via CMAUP database
CID 71307315 71307315 Click to see C1=CC(=CC=C1C2C(C3C(C4=C(C=C(C=C4O)O)C5C(OC6=C5C3=C2C(=C6)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)O 680.70 unknown via CMAUP database
cis-Miyabenol C 14412022 Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=C6C(C(OC6=CC(=C5)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O 680.70 unknown via CMAUP database
delta-Viniferin 637098 Click to see C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)O)O)O 454.50 unknown via CMAUP database
Epsilon-viniferin 5281728 Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O 454.50 unknown via CMAUP database
Isohopeaphenol 21669382 Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7C(C8=C(C=C(C=C8O)O)C9C(OC1=CC(=CC7=C91)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O 906.90 unknown via CMAUP database
Lsnfjdfyazdwfx-ucypnaszsa- 21669380 Click to see C1=CC(=CC=C1C2C3C(C(C4=C(C=C(C=C4O)O)C5C(OC6=CC(=CC3=C56)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=C2C(=CC1=C9C(C(O1)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O 906.90 unknown via CMAUP database
Malibatol 102417404 Click to see C1=CC(=CC=C1C2C(C3=C4C(=CC(=C3)O)OC(=C4C5=C2C(=CC(=C5)O)O)C6=CC=C(C=C6)O)O)O 468.50 unknown via CMAUP database
Miyabenol C 6475924 Click to see C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=C6C(C(OC6=CC(=C5)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O 680.70 unknown via CMAUP database
r-2-Viniferin 44251742 Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7=C(C=CC(=C7)C=CC8=C9C(C(OC9=CC(=C8)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O 906.90 unknown via CMAUP database
resveratrol (E)-dehydrodimer 11-O-beta-D-glucopyranoside 10746383 Click to see C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)OC6C(C(C(C(O6)CO)O)O)O)O)O 616.60 unknown via CMAUP database
Viniferal 57518718 Click to see C1=CC(=CC=C1C2C(C3=C(C=C(C=C3O2)O)C4C(OC5=C4C=C(C=C5)C=O)C6=CC=C(C=C6)O)C7=CC(=CC(=C7)O)O)O 574.60 unknown via CMAUP database
Vitisin A 16131430 Click to see C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7=C(C=CC(=C7)C=CC8=C9C(C(OC9=CC(=C8)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O 906.90 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acids
Cinnamic acid 444539 Click to see C1=CC=C(C=C1)C=CC(=O)O 148.16 unknown via CMAUP database
cis-Cinnamate 6857483 Click to see C1=CC=C(C=C1)C=CC(=O)[O-] 147.15 unknown via CMAUP database
cis-Cinnamic acid 5372954 Click to see C1=CC=C(C=C1)C=CC(=O)O 148.16 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
(2R,3S)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid 9796778 Click to see C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O 312.23 unknown via CMAUP database
(2S,3S)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid 642609 Click to see C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O 312.23 unknown via CMAUP database
CID 3036737 3036737 Click to see C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O 312.23 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acid esters / Coumaric acid esters
(2S,3R)-2-hydroxy-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxybutanedioic acid 101742956 Click to see C1=CC(=CC=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O 296.23 unknown via CMAUP database
2-O-(4-Hydroxy-trans-cinnamoyl)mesotartaric acid 101742957 Click to see C1=CC(=CC=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O 296.23 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
3-(3,4-Dihydroxyphenyl)prop-2-enoate 54710367 Click to see C1=CC(=C(C=C1C=CC(=O)O)O)[O-] 179.15 unknown via CMAUP database
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
p-Coumaric acid 637542 Click to see C1=CC(=CC=C1C=CC(=O)O)O 164.16 unknown via CMAUP database
Sinapinic acid 637775 Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O 224.21 unknown via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 6,7-dihydroxycoumarins
Esculetin 5281416 Click to see C1=CC(=O)OC2=CC(=C(C=C21)O)O 178.14 unknown via CMAUP database
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7,8-dihydroxycoumarins
Daphnetin 5280569 Click to see C1=CC(=C(C2=C1C=CC(=O)O2)O)O 178.14 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids
(2R,2'R,2''R)-2alpha,2'alpha,2''alpha-Tris(3,4-dihydroxyphenyl)-4alpha,8':4'alpha,8''-terchroman-3beta,3'beta,3''alpha,5,5',5'',7,7',7''-nonol 21676343 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O 866.80 unknown via CMAUP database
(2R,2'R,2''R)-2alpha,2'alpha,2''alpha-Tris(3,4-dihydroxyphenyl)-4alpha,8':4'beta,6''-terchroman-3beta,3'alpha,3''beta,5,5',5'',7,7',7''-nonol 101935154 Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)C9=CC(=C(C=C9)O)O)O 866.80 unknown via CMAUP database
(2R,2'R,3R,3'R)-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol 5320711 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown via CMAUP database
(2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol 11649946 Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown via CMAUP database
(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol 12967793 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown via CMAUP database
(2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol 24823045 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown via CMAUP database
1-[11-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxa-8-oxoniatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-3-yl]ethanone 102313791 Click to see CC(=O)C1=CC2=C(C(=[O+]C3=C2C(=CC(=C3)O)O1)C4=CC(=C(C(=C4)OC)O)OC)OC5C(C(C(C(O5)CO)O)O)O 559.50 unknown via CMAUP database
3,3'-Digalloylprocyanidin B2 124016 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O 882.70 unknown via CMAUP database
Arecatannin A1 13752000 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O 866.80 unknown via CMAUP database
Arecatannin B1 14237657 Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)C9=CC(=C(C=C9)O)O)O 866.80 unknown via CMAUP database
Epicatechin-(4beta->6)-epicatechin-(4beta->8)-catechin 14309769 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=C(C(=C4)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O 866.80 unknown via CMAUP database
Epicatechin-(4beta->6)-epicatechin-(4beta->8)-epicatechin 10865804 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=C(C(=C4)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O 866.80 unknown via CMAUP database
Epicatechin-(4beta->8)-epicatechin-(4beta->8)-catechin 3''-gallate 101607200 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O 1018.90 unknown via CMAUP database
Epicatechin-(4beta-8)-epicatechin-(4beta-6)-epicatechin 14237653 Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)C9=CC(=C(C=C9)O)O)O 866.80 unknown via CMAUP database
Procyanidin B1 11250133 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown via CMAUP database
procyanidin B1 3-O-gallate 12795888 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)O 730.60 unknown via CMAUP database
procyanidin B1 3'-O-gallate 72193635 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O 730.60 unknown via CMAUP database
procyanidin B2 3-O-gallate 46181828 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)O 730.60 unknown via CMAUP database
Procyanidin B2 3'-O-gallate 15593124 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O 730.60 unknown via CMAUP database
Procyanidin B2, (+)- 122738 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown via CMAUP database
Procyanidin B3 146798 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown via CMAUP database
Procyanidin B4 147299 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown via CMAUP database
procyanidin B4 3'-O-gallate 15593123 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O 730.60 unknown via CMAUP database
Procyanidin B5 124017 Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown via CMAUP database
Procyanidin B6 474540 Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown via CMAUP database
Procyanidin B7 13990893 Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown via CMAUP database
Procyanidin B8 474541 Click to see C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O 578.50 unknown via CMAUP database
Procyanidin C1 169853 Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O 866.80 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
(-)-Catechin 73160 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O 290.27 unknown via CMAUP database
(+)-4alpha-Benzylthiocatechin 13990900 Click to see C1=CC=C(C=C1)CSC2C(C(OC3=CC(=CC(=C23)O)O)C4=CC(=C(C=C4)O)O)O 412.50 unknown via CMAUP database
(+)-Epicatechin 182232 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O 290.27 unknown via CMAUP database
(2R,3S,4R)-4-benzylsulfanyl-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol 13990901 Click to see C1=CC=C(C=C1)CSC2C(C(OC3=CC(=CC(=C23)O)O)C4=CC(=C(C=C4)O)O)O 412.50 unknown via CMAUP database
(4S)-4beta,6alpha-Bis(3,4-dihydroxyphenyl)-7beta,9-dihydroxy-2,3,4,6,7,8-hexahydro-1,5-dioxaphenanthrene-2-one 10366587 Click to see C1C(C(OC2=C1C(=CC3=C2C(CC(=O)O3)C4=CC(=C(C=C4)O)O)O)C5=CC(=C(C=C5)O)O)O 452.40 unknown via CMAUP database
2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol 1203 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O 290.27 unknown https://doi.org/10.1248/CPB.51.1318
4beta-(2-Aminoethylthio)-epicatechin 10939749 Click to see C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)SCCN)O)O)O 365.40 unknown via CMAUP database
4beta-(2-Aminoethylthio)catechin 11187672 Click to see C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)SCCN)O)O)O 365.40 unknown via CMAUP database
Cianidanol 9064 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O 290.27 unknown via CMAUP database
Epicatechin 72276 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O 290.27 unknown https://doi.org/10.1248/CPB.51.1318
https://doi.org/10.1007/BF02977002
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins / Catechin gallates
(-)-Catechin gallate 6419835 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O 442.40 unknown via CMAUP database
(-)-Epicatechin gallate 107905 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O 442.40 unknown via CMAUP database
4beta-(2-Aminoethylthio)epicatechin 3-gallate 10919263 Click to see C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)SCCN)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O 517.50 unknown via CMAUP database
Epicatechin-3-gallate 65056 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O 442.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins / Epigallocatechins
(-)-Gallocatechin 9882981 Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O 306.27 unknown via CMAUP database
(2R,3S,4S)-4-benzylsulfanyl-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol 93477121 Click to see C1=CC=C(C=C1)CSC2C(C(OC3=CC(=CC(=C23)O)O)C4=CC(=C(C(=C4)O)O)O)O 428.50 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
(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
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones / Flavanonols
(-)-Epitaxifolin 712318 Click to see C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O 304.25 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones
Apigenin 5280443 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O 270.24 unknown https://doi.org/10.1248/BPB.26.1031
Quercetin-7-olate 46906036 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)[O-])O)O 301.23 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Myricetin 5281672 Click to see C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O 318.23 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 https://doi.org/10.1248/BPB.26.1031
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-3-O-glycosides
(2R,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 10165328 Click to see COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O 493.40 unknown via CMAUP database
1-[11-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxa-8-oxoniatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-3-yl]ethanone 102313792 Click to see CC(=O)C1=CC2=C(C(=[O+]C3=C2C(=CC(=C3)O)O1)C4=CC(=C(C=C4)O)OC)OC5C(C(C(C(O5)CO)O)O)O 529.50 unknown via CMAUP database
Delphinidin 3-O-glucoside cation 443650 Click to see C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O 465.40 unknown via CMAUP database
Kuromanin 441667 Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O 449.40 unknown via CMAUP database
Malvidin 3-O-beta-D-glucoside 443652 Click to see COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O 493.40 unknown via CMAUP database
Peonidin-3-glucoside 443654 Click to see COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O 463.40 unknown via CMAUP database
Petunidin 3-glucoside 443651 Click to see COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O 479.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid 3-O-p-coumaroyl glycosides
2-(4-Hydroxy-3,5-dimethoxyphenyl)-3-[6-O-[3-(4-hydroxyphenyl)acryloyl]-beta-D-glucopyranosyloxy]-7-hydroxy-10-[2alpha-(3,4-dihydroxyphenyl)-3alpha,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-5,4-(epoxyetheno)-1-benzopyrylium 102051216 Click to see COC1=CC(=CC(=C1O)OC)C2=C(C3=C4C(=CC(=[OH+])C=C4O2)OC(=C3)C5=C(C=C(C6=C5OC(C(C6)O)C7=CC(=C(C=C7)O)O)O)O)OC8C(C(C(C(O8)COC(=O)C=CC9=CC=C(C=C9)O)O)O)O 951.90 unknown via CMAUP database
2-(4-Hydroxy-3,5-dimethoxyphenyl)-3-[6-O-[3-(4-hydroxyphenyl)acryloyl]-beta-D-glucopyranosyloxy]-7-hydroxy-10-[2alpha-(3,4-dihydroxyphenyl)-3beta,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-5,4-(epoxyetheno)-1-benzopyrylium 102051215 Click to see COC1=CC(=CC(=C1O)OC)C2=C(C3=C4C(=CC(=[OH+])C=C4O2)OC(=C3)C5=C(C=C(C6=C5OC(C(C6)O)C7=CC(=C(C=C7)O)O)O)O)OC8C(C(C(C(O8)COC(=O)C=CC9=CC=C(C=C9)O)O)O)O 951.90 unknown via CMAUP database
Malvidin 3-(6''-p-coumarylglucoside) 72193651 Click to see COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O)O)O 639.60 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-3-O-glucuronides
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-glucuronides / Flavonoid-7-O-glucuronides
Acacetin 7-glucuronide 44257886 Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O 460.40 unknown https://doi.org/10.1248/BPB.26.1031
Apigenin 7-glucuronide 5319484 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O 446.40 unknown https://doi.org/10.1007/BF02977002
https://doi.org/10.1248/BPB.26.1031
Apigenin 7-O-methylglucuronide 13844658 Click to see COC(=O)C1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O 460.40 unknown https://doi.org/10.1007/BF02977002
Luteolin 7-glucuronide 5280601 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O 462.40 unknown https://doi.org/10.1007/BF02977002
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides
Luteolin-4'-o-glucoside 5319116 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O 448.40 unknown https://doi.org/10.1007/BF02977002
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Aurone O-glycosides
2,6-dihydroxy-2-[(4-hydroxyphenyl)methyl]-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one 133554286 Click to see C1=CC(=CC=C1CC2(C(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O)O)O 450.40 unknown https://doi.org/10.1007/BF02977002
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one 46173911 Click to see CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O 450.40 unknown via CMAUP database
[3-(4-hydroxy-3,5-dimethoxyphenyl)-7-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium 102376056 Click to see CC1=CC2=C3C(=CC(=[OH+])C=C3OC(=C2OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C(=C5)OC)O)OC)O1 531.50 unknown via CMAUP database
[7-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium 101422850 Click to see COC1=CC(=CC(=C1O)OC)C2=C(C3=C4C(=CC(=[OH+])C=C4O2)OC(=C3)C5=C(C=C(C6=C5OC(C(C6)O)C7=CC(=C(C=C7)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O 805.70 unknown via CMAUP database
2-(2,3-Dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one 53399169 Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=C(C(=CC=C5)O)O)O)O)O)O)O)O 610.50 unknown via CMAUP database
3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one 12308704 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O)O 434.30 unknown https://doi.org/10.1248/CPB.51.1318
3-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one 12308708 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O)O 434.30 unknown https://doi.org/10.1248/CPB.51.1318
5-[2alpha-(3,4-Dihydroxyphenyl)-3alpha,5,7-trihydroxychroman-8-yl]-2-(3,5-dimethoxy-4-hydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-8-hydroxy-2-dehydro-2H-pyrano[4,3,2-de]-1-benzopyran-1-ium 101422846 Click to see COC1=CC(=CC(=C1O)OC)C2=C(C3=C4C(=CC(=[OH+])C=C4O2)OC(=C3)C5=C(C=C(C6=C5OC(C(C6)O)C7=CC(=C(C=C7)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O 805.70 unknown via CMAUP database
Astilbin 119258 Click to see CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O 450.40 unknown via CMAUP database
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
Avicularin 5490064 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O)O 434.30 unknown https://doi.org/10.1007/BF02977002
https://doi.org/10.1248/CPB.51.1318
Engeletin 6453452 Click to see CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O 434.40 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 https://doi.org/10.1248/BPB.26.1031
https://doi.org/10.1007/BF02977002
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
Laricitrin 3-O-glucoside 101682256 Click to see COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O 494.40 unknown via CMAUP database
Myricetin 3-galactoside 5491408 Click to see C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O 480.40 unknown via CMAUP database
Quercitrin 5280459 Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O 448.40 unknown https://doi.org/10.1248/BPB.26.1031
https://doi.org/10.1007/BF02977002
Rutin 5280805 Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O 610.50 unknown via CMAUP database
Syringetin-3-o-glucoside 5321577 Click to see COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O 508.40 unknown via CMAUP database
Vitisin B (vitis vinifera) 44195285 Click to see COC1=CC(=CC(=C1O)OC)C2=C(C3=C4C(=CC(=[OH+])C=C4O2)OC=C3)OC5C(C(C(C(O5)CO)O)O)O 517.50 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
kaempferol 7-O-glucoside 10095180 Click to see C1=CC(=CC=C1C2=C(C(=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/10.1248/CPB.51.1318
Kaempferol-7-o-glucoside 5480982 Click to see C1=CC(=CC=C1C2=C(C(=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/10.1248/CPB.51.1318
Prunin 92794 Click to see C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O 434.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Hydroxyflavonoids / 7-hydroxyflavonoids
(2S,3S)-2-(3,4-dihydroxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-5,7-diol 44445800 Click to see CC1CC2=C(C=C(C=C2OC1C3=CC(=C(C=C3)O)O)O)O 288.29 unknown via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavonoid O-glycosides
3-(4-Hydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-4H-1-benzopyran-4-one 14583643 Click to see C1=CC(=CC=C1C2=COC3=C(C2=O)C(=CC(=C3)O)OC4C(C(C(C(O4)CO)O)O)O)O 432.40 unknown https://doi.org/10.1248/CPB.51.1318
Genistein 5-glucoside 14583642 Click to see C1=CC(=CC=C1C2=COC3=C(C2=O)C(=CC(=C3)O)OC4C(C(C(C(O4)CO)O)O)O)O 432.40 unknown https://doi.org/10.1248/CPB.51.1318
Genistin 5281377 Click to see C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O 432.40 unknown https://doi.org/10.1007/BF02977002
https://doi.org/10.1248/CPB.51.1318
Genistoside 5284639 Click to see C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O 432.40 unknown https://doi.org/10.1248/CPB.51.1318
> Phenylpropanoids and polyketides / Macrolides and analogues
Carpaine 442630 Click to see CC1C2CCC(N1)CCCCCCCC(=O)OC3CCC(CCCCCCCC(=O)O2)NC3C 478.70 unknown via CMAUP database
> Phenylpropanoids and polyketides / Stilbenes
(+)-Viniferether B 101769425 Click to see COC(C1C(C(C2=C1C=C(C=C2O)O)C3=CC(=CC(=C3)O)O)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O 486.50 unknown via CMAUP database
(1R,2S,3R)-2-(3,5-dihydroxyphenyl)-1-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-4,6-diol 60151313 Click to see C1=CC(=CC=C1C2C(C(C3=C2C(=CC(=C3)O)O)C(C4=CC=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O 472.50 unknown via CMAUP database
(1R,2S,3R)-2-(3,5-dihydroxyphenyl)-1-[(S)-hydroxy-(4-hydroxyphenyl)methyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-4,6-diol 60151314 Click to see C1=CC(=CC=C1C2C(C(C3=C2C(=CC(=C3)O)O)C(C4=CC=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O 472.50 unknown via CMAUP database
1-[(1R,2R,3R)-3-(3,5-Dihydroxy-phenyl)-4,6-dihydroxy-2-(4-hydroxy-phenyl)-indan-1-yl]-1-(4-hydroxy-phenyl)-methanone 484753 Click to see C1=CC(=CC=C1C2C(C3=C(C2C(=O)C4=CC=C(C=C4)O)C=C(C=C3O)O)C5=CC(=CC(=C5)O)O)O 470.50 unknown via CMAUP database
2,4,4'-Trihydroxy-trans-stilbene 10130775 Click to see C1=CC(=CC=C1C=CC2=C(C=C(C=C2)O)O)O 228.24 unknown via CMAUP database
cis-Resveratrol 1548910 Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O 228.24 unknown via CMAUP database
Piceatannol 667639 Click to see C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)O)O)O)O 244.24 unknown via CMAUP database
Pterostilbene 5281727 Click to see COC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)O)OC 256.30 unknown via CMAUP database
Resveratrol 445154 Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O 228.24 unknown via CMAUP database
> Phenylpropanoids and polyketides / Stilbenes / Stilbene glycosides
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(Z)-2-(4-hydroxyphenyl)ethenyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol 16040019 Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O 552.50 unknown via CMAUP database
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]oxane-3,4,5-triol 10030502 Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O 552.50 unknown via CMAUP database
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(Z)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]oxane-3,4,5-triol 16040018 Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O 552.50 unknown via CMAUP database
(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 73642 Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O 390.40 unknown via CMAUP database
(2S,3R,4S,5S,6R)-2-[4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 16039986 Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O 390.40 unknown via CMAUP database
(2S,3R,4S,5S,6R)-2-[4-[(Z)-2-[3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]phenyl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 16040017 Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O 714.70 unknown via CMAUP database
3,5-Bis(beta-D-glucopyranosyloxy)-4'-hydroxystilbene 16038898 Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O 552.50 unknown via CMAUP database
Astringin 5281712 Click to see C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O 406.40 unknown via CMAUP database
cis-Astringin 16040016 Click to see C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O 406.40 unknown via CMAUP database
cis-Piceid 10178463 Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O 390.40 unknown via CMAUP database
Polydatin 5281718 Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O 390.40 unknown via CMAUP database
Resveratroloside 5322089 Click to see C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O 390.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
2-[[(8R,9S,27R,29S,30R)-1,2,2,14,15,16,19,20,35,36-decahydroxy-3,6,11,24,32-pentaoxo-29-(3,4,5-trihydroxybenzoyl)oxy-7,10,25,28,31,40-hexaoxaoctacyclo[35.2.1.05,39.08,27.09,30.012,17.018,23.033,38]tetraconta-4,12,14,16,18,20,22,33,35,37-decaen-21-yl]oxy]-3,4,5-trihydroxybenzoic acid 46905123 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(O6)O)(O)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)OC1=C(C(=C(C=C1C(=O)O)O)O)O)O)O)O)O)O 1120.70 unknown via CMAUP database

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