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Glycine max

Glycine max - 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 UUID643fd8d2cdbae920233023
Scientific name Glycine max
Authority (L.) Merr.
First published in Interpr. Herb. Amboin.: 274 (1917)

Description Top

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No description added yet. Help us by writing one.

Synonyms Top

Scientific name Authority First published in
Phaseolus max L. Sp. Pl.: 725 (1753)
Soja max (L.) Piper U.S.D.A. Bur. Pl. Industr. Invent. Seeds33: 53 (1915)
Phalseolus max L.
Dolichos sofa L.

Common names Top

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Language Common/alternative name
English soybean
English soybeans
English soy
English soya
English soy bean plant
English soy plant
English soya bean plant
English soybean plant
Spanish g. max
Spanish soja
Spanish soya
Afrikaans sojaboon
Amharic ሻማ
anp सोयाबीन
Arabic صعفاني
Arabic فول الصويا
Assamese চয়াবিন
Azerbaijani soya
azb سویا
ba Соя
ban kedelé
bar sojaboanl
Belarusian соя
Bulgarian Соя
Bulgarian соя
bho सोआबीन
Bengali সয়াবিন
Tibetan སྲན་སེར།
br soja
Bosnian soja
Catalan soja
Catalan soia
cdo uòng-dâu
crh soya
Czech sója
Czech sója luštinatá
cv Соя
Welsh ffeuen soia
Welsh soia
Danish sojabønne
German sojabohne
German soja
German soja hispida moench
German sojabohnen
German soyabohne
dty भटमास
Greek Σόγια
Esperanto sojfabo
Esperanto sojafabo
Esperanto sojofabo
Estonian karvane sojauba
Basque soja
Persian سویا
Finnish peltosoijapapu
Finnish soijapapu
French soja
frr soojabuan
Irish pónaire shoighe
Irish planda pónairí soighe
gan 黃豆
gcr soja
Galician soia
gn sóha
Swiss German sojabohne
Gujarati સોયબીન
Gujarati સોયાબીન
Hausa waken suya
hak vòng-theu
Hebrew סויה
Hindi सोयाबीन
Croatian soja
Upper Sorbian sojowe boby
Upper Sorbian sojowy bob
Upper Sorbian soja
Hungarian szója
Hungarian szójabab
Armenian Սոյա
ia soja
Indonesian kacang kedelai
Indonesian kedelai
ilo soya
io soyo
Icelandic sojabaun
Italian g. max
Italian soia
Japanese ダイズ
Japanese 大豆
jam sayabiin
jv dhelé
kbp soojaa
Kazakh Қытайбұршақ
Kazakh Соя
Kannada ಸೋಯಾ ಅವರೆ
Korean 대두
Korean 콩
ku soya
Cornish faven soya
lfn soia
Lithuanian soja
Lithuanian gauruotoji soja
Latvian soja
lzh 菽
mad kaḍhelli
mai भटमास
Malagasy soja
min kedelai
Macedonian Соја
Malayalam സോയാബീൻസ്
mn Шар буурцаг
Marathi सोयबीन amit ामित
Malay kacang soya hijau
Malay kacang soya
Burmese ပဲပုပ်
nan n̂g-tāu
Norwegian Bokmål soyabønne
Nepali भटमास
Dutch sojaboon
Dutch soja
Norwegian Nynorsk soyabønne
oc sòja
os Сойæ
Punjabi ਸੋਇਆਬੀਨ
Polish soja
Polish soja warzywna
Punjab سویا بین
Portuguese soja
Portuguese feijão-chinês
Portuguese feijão-soja
Quechua suya
Romanian soia
Russian Соевые бобы
Russian Соя обыкновенная
Russian Соя культурная
Kinyarwanda soya
sa सोयामाषः
sco soya bean
Serbo-Croatian soja
Slovak sója fazuľová
Slovenian soja
Albanian soja
Serbian соја
su kedelé
Swedish sojaböna
Swedish soja
Swahili soya
szl soja
szy bayduh
Tamil சோயா அவரை
Telugu సోయా చిక్కుడు
Thai ถั่วเหลือง
Turkish soya fasülyesi
Turkish soya
tt кытай борчагы
ug دادۇر
Ukrainian Соя
Urdu سویا پھلی
Uzbek soya
vep soi
Vietnamese Đậu tương
vo soyabon
vro sojauba
yi סויע
za duhhenj
Chinese 菽
Chinese 枝豆
Chinese 毛豆
Chinese 豆腐
Chinese 豆腐皮
Chinese 野大豆
Chinese 大豆
Chinese 大豆根
Chinese 大豆黄卷
Chinese 淡豆豉
Chinese 穞豆
Chinese 菜用大豆
Chinese 豆油
Chinese 豆腐浆
Chinese 豆黄
Chinese 黄大豆
Chinese 黄豆
Chinese 黄豆芽
Chinese 黑大豆
Chinese 黑大豆叶
Chinese 黑大豆皮
Chinese 黑大豆花
Chinese 黑豆衣

Subspecies (abbr. subsp./ssp.) Top

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Name Authority First published in
Glycine max subsp. formosana (Hosok.) Tateishi & H.Ohashi J. Jap. Bot.67: 140 (1992)
Glycine max subsp. gracilis (Skvortsov) H.Ohashi J. Jap. Bot.89: 201 (2014)
Glycine max subsp. max (L.) Merr. Unknown
Glycine max subsp. soja (Siebold & Zucc.) H.Ohashi J. Jap. Bot.57: 30 (1982)

Varieties (abbr. var.) Top

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No variety added yet.

Subvarieties (abbr. subvar.) Top

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No subvariety added yet.

Forms (abbr. f.) Top

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No forms added yet.

Germination/Propagation Top

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

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-0000181462
UNII NID9NUV93F
Flora of Alabama 1965
Canadensys 5732
USDA Plants GLMA4
Tropicos 13043775
INPN 100422
KEW urn:lsid:ipni.org:names:60450240-2
The Plant List ild-2760
Missouri Botanical Garden 280548
Open Tree Of Life 681762
Observations.org 6841
NCBI Taxonomy 3847
NBN Atlas NBNSYS0000014913
Nature Serve 2.133821
IPNI 496786-1
iNaturalist 122902
GBIF 5359660
Freebase /m/0gyv9
WisFlora 3722
EPPO GLXMA
EOL 641527
Elurikkus 4932
US Library of Congress sh85125884
USDA GRIN 17711
Wikipedia Soybean
CMAUP NPO7635

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
GCF_000004515.6 Glycine_max_v4.0 Chromosome US DOE Joint Genome Institute (JGI-PGF) 2021-03-10 8.1x 933.06 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
Origin, evolution, and diversification of inositol 1,4,5-trisphosphate 3-kinases in plants and animals Xiong T, Zhang Z, Fan T, Ye F, Ye Z BMC Genomics 08-Apr-2024
PMCID:PMC11000326
doi:10.1186/s12864-024-10257-7
PMID:38589807
Exploring the antioxidant potential of endophytic fungi: a review on methods for extraction and quantification of total antioxidant capacity (TAC) Asomadu RO, Ezeorba TP, Ezike TC, Uzoechina JO 3 Biotech 05-Apr-2024
PMCID:PMC10997672
doi:10.1007/s13205-024-03970-3
PMID:38585410
DC2Net: An Asian Soybean Rust Detection Model Based on Hyperspectral Imaging and Deep Learning Feng J, Zhang S, Zhai Z, Yu H, Xu H Plant Phenomics 05-Apr-2024
PMCID:PMC10997487
doi:10.34133/plantphenomics.0163
PMID:38586218
Chloroplast Methyltransferase Homolog RMT2 is Involved in Photosystem I Biogenesis Kim RG, Huang W, Findinier J, Bunbury F, Redekop P, Shrestha R, Grismer TS, Vilarrasa-Blasi J, Jinkerson RE, Fakhimi N, Fauser F, Jonikas MC, Onishi M, Xu SL, Grossman AR bioRxiv 05-Apr-2024
PMCID:PMC10769443
doi:10.1101/2023.12.21.572672
PMID:38187728
A compendium of ruminant gastrointestinal phage genomes revealed a higher proportion of lytic phages than in any other environments Wu Y, Gao N, Sun C, Feng T, Liu Q, Chen WH Microbiome 04-Apr-2024
PMCID:PMC10993611
doi:10.1186/s40168-024-01784-2
PMID:38576042
Identification of superior and rare haplotypes to optimize branch number in soybean Yu H, Bhat JA, Li C, Zhao B, Bu M, Zhang Z, Guo T, Feng X Theor Appl Genet 03-Apr-2024
PMCID:PMC10991007
doi:10.1007/s00122-024-04596-y
PMID:38570354
Acyl-CoA-binding protein (ACBP) genes involvement in response to abiotic stress and exogenous hormone application in barley (Hordeum vulgare L.) Chang H, Ma M, Gu M, Li S, Li M, Guo G, Xing G BMC Plant Biol 02-Apr-2024
PMCID:PMC10985865
doi:10.1186/s12870-024-04944-6
PMID:38561660
Elucidating the ecophysiology of soybean pod-sucking stinkbug Riptortus pedestris (Hemiptera: Alydidae) based on de novo genome assembly and transcriptome analysis Li C, Nong W, Boncan DA, So WL, Yip HY, Swale T, Jia Q, Vicentin IG, Chung G, Bendena WG, Ngo JC, Chan TF, Lam HM, Hui JH BMC Genomics 02-Apr-2024
PMCID:PMC10985886
doi:10.1186/s12864-024-10232-2
PMID:38565997
CmDOF18 positively regulates salinity tolerance in Chrysanthemum morifolium by activating the oxidoreductase system Li P, Fang T, Chong X, Chen J, Yue J, Wang Z BMC Plant Biol 01-Apr-2024
PMCID:PMC10985857
doi:10.1186/s12870-024-04914-y
PMID:38561659
Prevalence of pest nematodes associated with soybean (Glycine max) in Wisconsin from 1998 to 2021 MacGuidwin AE, Smith DL, Conley SP, Saikai KA J Nematol 30-Mar-2024
PMCID:PMC10981769
doi:10.2478/jofnem-2023-0053
PMID:38558769
Stability analysis and nutritional quality of soybean (Glycine max (L).Merrill.) genotypes for feed in southwestern Ethiopia Mossie T, Biratu K, Yifred H, Silesh Y, Tesfaye A Heliyon 29-Mar-2024
PMCID:PMC11004738
doi:10.1016/j.heliyon.2024.e28764
PMID:38601567
Mechanism of action of microRNA166 on nitric oxide in alfalfa (Medicago sativa L.) under drought stress Wei B, Wang Y, Ruan Q, Zhu X, Wang X, Wang T, Zhao Y, Wei X BMC Genomics 28-Mar-2024
PMCID:PMC10976769
doi:10.1186/s12864-024-10095-7
PMID:38549050
Genome-wide identification of the CYP82 gene family in cucumber and functional characterization of CsCYP82D102 in regulating resistance to powdery mildew Wang H, Li P, Wang Y, Chi C, Ding G PeerJ 28-Mar-2024
PMCID:PMC10981884
doi:10.7717/peerj.17162
PMID:38560464
Simulating short-term light responses of photosynthesis and water use efficiency in sweet sorghum under varying temperature and CO2 conditions Yang XL, Ma XF, Ye ZP, Yang LS, Shi JB, Wang X, Zhou BB, Wang FB, Deng ZF Front Plant Sci 28-Mar-2024
PMCID:PMC11007071
doi:10.3389/fpls.2024.1291630
PMID:38606074
A deep semantic network-based image segmentation of soybean rust pathogens Wu Y, Xi Z, Liu F, Hu W, Feng H, Zhang Q Front Plant Sci 27-Mar-2024
PMCID:PMC11004377
doi:10.3389/fpls.2024.1340584
PMID:38601300

Phytochemical Profile Top

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Below are displayed the proven (via scientific papers) natural compounds!
You can also contribute to this by clicking here.
Name PubChem ID Canonical SMILES MW Found in Proof
> Alkaloids and derivatives
Trigonelline 5570 Click to see C[N+]1=CC=CC(=C1)C(=O)[O-] 137.14 unknown https://doi.org/10.1002/PMIC.201700366
https://doi.org/10.1016/S0031-9422(99)00410-0
https://doi.org/10.1021/BK-1984-0257.CH007
> Alkaloids and derivatives / Harmala alkaloids
Flazin 5377686 Click to see C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)C4=CC=C(O4)CO)C(=O)O 308.29 unknown https://doi.org/10.1016/S0040-4039(00)84806-6
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
Dimethyl anthranilate 6826 Click to see CNC1=CC=CC=C1C(=O)OC 165.19 unknown https://doi.org/10.1002/PMIC.201700366
> 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 https://doi.org/10.1016/0098-8472(86)90054-7
https://doi.org/10.1021/JF00123A028
3,4-Dihydroxybenzoic acid 72 Click to see C1=CC(=C(C=C1C(=O)O)O)O 154.12 unknown https://doi.org/10.1021/JF00123A028
https://doi.org/10.1016/S0021-9673(01)87655-X
https://doi.org/10.1016/0098-8472(86)90054-7
4-Hydroxybenzoic acid 135 Click to see C1=CC(=CC=C1C(=O)O)O 138.12 unknown https://doi.org/10.1021/JF00123A028
https://doi.org/10.1016/S0021-9673(01)87655-X
https://doi.org/10.1016/0098-8472(86)90054-7
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
Syringic acid 10742 Click to see COC1=CC(=CC(=C1O)OC)C(=O)O 198.17 unknown https://doi.org/10.1016/0098-8472(86)90054-7
https://doi.org/10.1021/JF00123A028
> 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 https://doi.org/10.1016/S0021-9673(01)87655-X
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
Vanillic Acid 8468 Click to see COC1=C(C=CC(=C1)C(=O)O)O 168.15 unknown https://doi.org/10.1021/JF00123A028
https://doi.org/10.1016/S0021-9673(01)87655-X
https://doi.org/10.1016/0098-8472(86)90054-7
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / P-methoxybenzoic acids and derivatives
Sparassol 596344 Click to see CC1=CC(=CC(=C1C(=O)OC)O)OC 196.20 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Salicylic acid and derivatives / Salicylic acids
Salicylic Acid 338 Click to see C1=CC=C(C(=C1)C(=O)O)O 138.12 unknown https://doi.org/10.1021/JF00123A028
https://doi.org/10.1016/0098-8472(86)90054-7
https://doi.org/10.1016/S0021-9673(01)87655-X
> Benzenoids / Benzene and substituted derivatives / Phenethylamines
4-(2-Aminoethyl)phenol;hydron 67458472 Click to see [H+].C1=CC(=CC=C1CCN)O 138.19 unknown via CMAUP database
Tyramine 5610 Click to see C1=CC(=CC=C1CCN)O 137.18 unknown https://doi.org/10.1016/J.EJPHAR.2011.04.058
> Benzenoids / Phenols / 1-hydroxy-2-unsubstituted benzenoids
N-[(4-hydroxyphenyl)methyl]acetamide 458498 Click to see CC(=O)NCC1=CC=C(C=C1)O 165.19 unknown https://doi.org/10.1590/S0103-50532006000300026
> Benzenoids / Phenols / Tyrosols and derivatives / Tyrosols
2,6-Dideuterio-4-(2-hydroxyethyl)phenol 10773058 Click to see C1=CC(=CC=C1CCO)O 140.18 unknown via CMAUP database
> Lignans, neolignans and related compounds / Lignan lactones
Genkdaphine 126490 Click to see C1C2C(C(O1)C3=CC4=C(C=C3)OCO4)C(=O)OC2C5=C6C(=CC=C5)OCO6 368.30 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Eicosanoids / Prostaglandins and related compounds
Prostaglandin B3 5283113 Click to see CCC=CCC(C=CC1=C(C(=O)CC1)CC=CCCCC(=O)O)O 332.40 unknown https://doi.org/10.1002/PMIC.201700366
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Pyrethroids / Pyrethrins
2,2-Dimethyl-3alpha-(2-methyl-1-propenyl)cyclopropane-1beta-carboxylic acid (R)-1-methyl-2-(2,4-pentadienyl)-3-oxocyclopentene-5-yl ester 11056553 Click to see CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C 328.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
16-Hydroxy-10-oxohexadecanoic acid 85837000 Click to see C(CCCCC(=O)O)CCCC(=O)CCCCCCO 286.41 unknown https://doi.org/10.1002/PMIC.201700366
3-Hexadecenoic acid 5312418 Click to see CCCCCCCCCCCCC=CCC(=O)O 254.41 unknown https://doi.org/10.1002/PMIC.201700366
Oleic Acid 445639 Click to see CCCCCCCCC=CCCCCCCCC(=O)O 282.50 unknown https://doi.org/10.1021/JF00069A008
Palmitic Acid 985 Click to see CCCCCCCCCCCCCCCC(=O)O 256.42 unknown https://doi.org/10.1021/JF00069A008
Stearic Acid 5281 Click to see CCCCCCCCCCCCCCCCCC(=O)O 284.50 unknown https://doi.org/10.1021/JF00069A008
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2E)-2-methyl-4-[(7H-purin-6-yl)amino]but-2-en-1-yl]oxy}oxane-3,4,5-triol 25244165 Click to see CC(=CCNC1=NC=NC2=C1NC=N2)COC3C(C(C(C(O3)CO)O)O)O 381.38 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1055799/
> Lipids and lipid-like molecules / Fatty Acyls / Fatty amides
Erucamide 5365371 Click to see CCCCCCCCC=CCCCCCCCCCCCC(=O)N 337.60 unknown https://doi.org/10.1002/PMIC.201700366
Oleamide 5283387 Click to see CCCCCCCCC=CCCCCCCCC(=O)N 281.50 unknown https://doi.org/10.1002/PMIC.201700366
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
(10E)-9-oxooctadeca-10,12-dienoic acid 132892553 Click to see CCCCCC=CC=CC(=O)CCCCCCCC(=O)O 294.40 unknown https://doi.org/10.1021/JF801905Y
[(2R)-2,3-dihydroxypropyl] (10E,12E)-9-oxooctadeca-10,12-dienoate 162989792 Click to see CCCCCC=CC=CC(=O)CCCCCCCC(=O)OCC(CO)O 368.50 unknown https://doi.org/10.1021/JF801905Y
[(2R)-2,3-dihydroxypropyl] (10E,12Z)-9-oxooctadeca-10,12-dienoate 162989790 Click to see CCCCCC=CC=CC(=O)CCCCCCCC(=O)OCC(CO)O 368.50 unknown https://doi.org/10.1021/JF801905Y
[(2R)-2,3-dihydroxypropyl] (9E,11E)-13-oxooctadeca-9,11-dienoate 162927521 Click to see CCCCCC(=O)C=CC=CCCCCCCCC(=O)OCC(CO)O 368.50 unknown https://doi.org/10.1021/JF801905Y
[(2R)-2,3-dihydroxypropyl] (9Z,11E)-13-oxooctadeca-9,11-dienoate 162927520 Click to see CCCCCC(=O)C=CC=CCCCCCCCC(=O)OCC(CO)O 368.50 unknown https://doi.org/10.1021/JF801905Y
1,3-Dilinolenoylglycerol 45934043 Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCC=CCC)O 612.90 unknown https://doi.org/10.1002/PMIC.201700366
13-keto-9Z,11E-octadecadienoic acid 6446027 Click to see CCCCCC(=O)C=CC=CCCCCCCCC(=O)O 294.40 unknown https://doi.org/10.1021/JF801905Y
13-Oxooctadeca-9,11-dienoic acid 160205 Click to see CCCCCC(=O)C=CC=CCCCCCCCC(=O)O 294.40 unknown https://doi.org/10.1021/JF801905Y
13-OxoODE 5283012 Click to see CCCCCC(=O)C=CC=CCCCCCCCC(=O)O 294.40 unknown https://doi.org/10.1021/JF801905Y
https://doi.org/10.1002/PMIC.201700366
2,3-Dihydroxypropyl 13-oxooctadeca-9,11-dienoate 162927519 Click to see CCCCCC(=O)C=CC=CCCCCCCCC(=O)OCC(CO)O 368.50 unknown https://doi.org/10.1021/JF801905Y
2,3-Dihydroxypropyl 9-oxooctadeca-10,12-dienoate 162989789 Click to see CCCCCC=CC=CC(=O)CCCCCCCC(=O)OCC(CO)O 368.50 unknown https://doi.org/10.1021/JF801905Y
9-Oxo-10,12-octadecadienoic acid 5283011 Click to see CCCCCC=CC=CC(=O)CCCCCCCC(=O)O 294.40 unknown https://doi.org/10.1021/JF801905Y
9-Oxooctadeca-10,12-dienoic acid 193923 Click to see CCCCCC=CC=CC(=O)CCCCCCCC(=O)O 294.40 unknown https://doi.org/10.1021/JF801905Y
9-OxoODE 9839084 Click to see CCCCCC=CC=CC(=O)CCCCCCCC(=O)O 294.40 unknown https://doi.org/10.1021/JF801905Y
Linoleic Acid 5280450 Click to see CCCCCC=CCC=CCCCCCCCC(=O)O 280.40 unknown https://doi.org/10.1021/JF00069A008
Linolenic Acid 5280934 Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O 278.40 unknown https://doi.org/10.1021/JF00069A008
Octadeca-9,12,15-trienoic acid 5282822 Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O 278.40 unknown https://doi.org/10.1021/JF00069A008
> Lipids and lipid-like molecules / Glycerolipids / Monoradylglycerols / Monoacylglycerols / 1-monoacylglycerols
2,3-Dihydroxypropyl hexadecanoate 14900 Click to see CCCCCCCCCCCCCCCC(=O)OCC(CO)O 330.50 unknown https://doi.org/10.1002/PMIC.201700366
Glyceryl Monostearate 24699 Click to see CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O 358.60 unknown https://doi.org/10.1002/PMIC.201700366
> Lipids and lipid-like molecules / Glycerophospholipids / Glycerophosphoglycerols / Phosphatidylglycerols
1-(9Z,12Z-octadecadienoyl)-2-octadecanoyl-glycero-3-phospho-(1'-sn-glycerol) 52927141 Click to see CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(CO)O 775.00 unknown https://doi.org/10.1002/PMIC.201700366
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / C19-gibberellins / C19-gibberellin 6-carboxylic acids
CID 439329 439329 Click to see CC12C(CCC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O 348.40 unknown https://doi.org/10.1007/S11033-013-2878-7
Gibberellin 1 3509874 Click to see CC12C(CCC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O 348.40 unknown https://doi.org/10.1007/S11033-013-2878-7
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Kaurane diterpenoids
12,12-Dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-7,9,10,15-tetrol 73298984 Click to see CC1(CCC(C23C1C(C(C45C2CCC(C4)C(=C)C5O)(OC3)O)O)O)C 350.40 unknown https://doi.org/10.1021/JF801905Y
> Lipids and lipid-like molecules / Prenol lipids / Polyprenols
Ficaprenol 10 12866490 Click to see CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C)C)C)C)C)C 699.20 unknown https://doi.org/10.1021/JO00275A026
Ficaprenol 11 11411688 Click to see CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C)C)C)C)C)C)C 767.30 unknown https://doi.org/10.1021/JO00275A026
Ficaprenol 12 14380582 Click to see CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C)C)C)C)C)C)C)C 835.40 unknown https://doi.org/10.1021/JO00275A026
> Lipids and lipid-like molecules / Prenol lipids / Polyprenols / Dolichols
3,7,11,15,19-Pentamethylicosa-6,10,14,18-tetraen-1-ol 54000506 Click to see CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCO 360.60 unknown https://doi.org/10.1271/BBB.56.961
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin E compounds / Tocopherols
(2R)-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol 8989 Click to see CC1=CC(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O 416.70 unknown https://doi.org/10.1248/CPB.33.3834
Alpha-Tocopherol 14985 Click to see CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C 430.70 unknown https://doi.org/10.1248/CPB.33.3834
beta-Tocopherol 6857447 Click to see CC1=CC(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O 416.70 unknown https://doi.org/10.1248/CPB.33.3834
Covi-ox 6560141 Click to see CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C 430.70 unknown https://doi.org/10.1248/CPB.33.3834
delta-Tocopherol 92094 Click to see CC1=CC(=CC2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)O 402.70 unknown https://doi.org/10.1248/CPB.33.3834
gamma-Tocopherol 92729 Click to see CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)O 416.70 unknown https://doi.org/10.1248/CPB.33.3834
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(3S,4aS)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene 5315586 Click to see CC1CCC2C(C1)C(CC=C2C)C(=C)C 204.35 unknown via CMAUP database
Dihydrofarnesol 5280341 Click to see CC(CCC=C(C)CCC=C(C)C)CCO 224.38 unknown https://doi.org/10.1271/BBB.56.961
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Abscisic acids and derivatives
(+)-Abscisic acid 5375200 Click to see CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C 264.32 unknown https://doi.org/10.1080/00380768.1991.10415039
(4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid 131954763 Click to see CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C 264.32 unknown https://doi.org/10.1080/00380768.1991.10415039
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
Eudesm-4(15)-ene-3alpha,11-diol 11118126 Click to see CC12CCC(CC1C(=C)C(CC2)O)C(C)(C)O 238.37 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
(2S,3S,4S,5R,6R)-6-[[(3R,4S,4aR,6aR,6bS,8aR,9S,10R,14bR)-9,10-dihydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid 11520880 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(C(C8O)O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O 959.10 unknown via CMAUP database
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,8aR,9R,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid 6326067 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C 959.10 unknown https://doi.org/10.1016/S0021-9673(97)00157-X
https://doi.org/10.1021/NP010606G
https://doi.org/10.1021/NP50055A018
https://doi.org/10.1271/BBB1961.55.577
https://doi.org/10.1248/YAKUSHI1947.108.6_562
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,8aR,9S,10R,14bR)-9-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid 11968947 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1O)OC6C(C(C(CO6)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C)(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)C 1269.40 unknown via CMAUP database
(2S,3S,4S,5R,6R)-6-[[(4S,6aR,6bS,8aR,9R,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid 9876351 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C 959.10 unknown via CMAUP database
(2S,3S,4S,5R,6R)-6-[[(4S,6aR,8aR,9S,10R,14bR)-9-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid 11968948 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1O)OC6C(C(C(CO6)O)OC7C(C(C(CO7)O)O)O)O)C)C)C)(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(CO9)O)O)O)C)C 1047.20 unknown via CMAUP database
(2S,3S,4S,5R,6R)-6-[[(4S,6aR,8aR,9S,10R,14bR)-9-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 6326065 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1O)OC6C(C(C(CO6)O)OC7C(C(C(CO7)O)O)O)O)C)C)C)(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C 1077.20 unknown via CMAUP database
(2S,3S,4S,5R,6R)-6-[[(4S,6aR,8aR,9S,10R,14bR)-9-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid 6326064 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1O)OC6C(C(C(CO6)O)OC7C(C(C(CO7)O)O)O)O)C)C)C)(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)C 1239.30 unknown via CMAUP database
(2S,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-[[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-2-yl]oxy]oxane-2-carboxylic acid 5321411 Click to see CC1C(CC(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CC(C5CCC6(C(C5(C4)C)CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)(C)CO)C(=O)O)O)O)CO)O)O)O)O 927.10 unknown via CMAUP database
(3beta,4beta,21alpha)-21,23-dihydroxyolean-12-en-3-yl-2-O-beta-D-galactopyranosyl-beta-D-Glucopyranosiduronic acid 21607811 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C 797.00 unknown https://doi.org/10.1248/CPB.36.2829
https://doi.org/10.1016/S0021-9673(97)00157-X
https://doi.org/10.1248/YAKUSHI1947.104.2_162
https://doi.org/10.1248/CPB.36.2819
https://doi.org/10.1055/S-2006-957416
https://doi.org/10.1248/CPB.33.3829
https://doi.org/10.1271/BBB1961.55.315
https://doi.org/10.1021/NP50055A018
https://doi.org/10.1002/PMIC.201700366
https://doi.org/10.1248/CPB.36.153
https://doi.org/10.1248/CPB.33.598
https://doi.org/10.1248/YAKUSHI1947.104.3_275
Acetylsoyasaponin A2 14186191 Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(C(CC4C3(CCC5(C4=CCC6C5(CCC7C6(CCC(C7(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)C)(C)C)O)O)OC(=O)C)OC(=O)C)OC(=O)C 1275.40 unknown https://doi.org/10.1248/CPB.36.2819
Acetylsoyasaponin A3 14186194 Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(C(CC4C3(CCC5(C4=CCC6C5(CCC7C6(CCC(C7(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(CO9)O)O)O)C)C)C)C)(C)C)O)O)OC(=O)C)OC(=O)C)OC(=O)C 1245.40 unknown https://doi.org/10.1248/CPB.36.2819
Acetylsoyasaponin A5 14186217 Click to see CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)OC2C(COC(C2O)OC3C(C(CC4C3(CCC5(C4=CCC6C5(CCC7C6(CCC(C7(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)C)(C)C)O)O 1203.30 unknown https://doi.org/10.1248/CPB.36.2829
Acetylsoyasaponin A6 14186223 Click to see CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)OC2C(COC(C2O)OC3C(C(CC4C3(CCC5(C4=CCC6C5(CCC7C6(CCC(C7(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(CO9)O)O)O)C)C)C)C)(C)C)O)O 1173.30 unknown https://doi.org/10.1248/CPB.36.2829
Chromosaponin I 74376401 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8OC9CC(=O)C(=C(O9)C)O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O 1069.20 unknown https://doi.org/10.1021/NP50087A031
CID 171432 171432 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C 797.00 unknown https://doi.org/10.1248/CPB.36.2829
https://doi.org/10.1016/S0021-9673(97)00157-X
https://doi.org/10.1248/YAKUSHI1947.104.2_162
https://doi.org/10.1248/CPB.36.2819
https://doi.org/10.1055/S-2006-957416
https://doi.org/10.1248/CPB.33.3829
https://doi.org/10.1021/NP50055A018
https://doi.org/10.1248/CPB.36.153
https://doi.org/10.1248/YAKUSHI1947.104.3_275
https://doi.org/10.1248/CPB.33.598
CID 5087640 5087640 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O 943.10 unknown https://doi.org/10.1016/J.FEBSLET.2010.03.037
soyasapogenol B 3-O-beta-glucuronide 13632905 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C 634.80 unknown https://doi.org/10.1021/NP010606G
Soyasaponin Aa 14186205 Click to see CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)OC2C(COC(C2O)OC3C(C(CC4C3(CCC5(C4=CCC6C5(CCC7C6(CCC(C7(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)C)C)C)(C)C)O)O 1365.50 unknown https://doi.org/10.1248/CPB.36.2829
soyasaponin Ab 102004833 Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(C(CC4C3(CCC5(C4=CCC6C5(CCC7C6(CCC(C7(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)C)C)C)(C)C)O)O)OC(=O)C)OC(=O)C)OC(=O)C 1437.50 unknown https://doi.org/10.1271/BBB1961.55.323
https://doi.org/10.1016/0031-9422(92)80429-I
https://doi.org/10.1271/BBB.56.99
Soyasaponin Ae 101603359 Click to see CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)OC2C(COC(C2O)OC3C(C(CC4C3(CCC5(C4=CCC6C5(CCC7C6(CCC(C7(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)C)(C)C)O)O 1203.30 unknown https://doi.org/10.1248/CPB.36.2829
Soyasaponin Af 101603692 Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(C(CC4C3(CCC5(C4=CCC6C5(CCC7C6(CCC(C7(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)C)(C)C)O)O)OC(=O)C)OC(=O)C)OC(=O)C 1275.40 unknown https://doi.org/10.1248/CPB.36.2819
Soyasaponin Ag 101603360 Click to see CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)OC2C(COC(C2O)OC3C(C(CC4C3(CCC5(C4=CCC6C5(CCC7C6(CCC(C7(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(CO9)O)O)O)C)C)C)C)(C)C)O)O 1173.30 unknown https://doi.org/10.1248/CPB.36.2829
Soyasaponin Ah 101603358 Click to see CC(=O)OCC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(C(CC4C3(CCC5(C4=CCC6C5(CCC7C6(CCC(C7(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(CO9)O)O)O)C)C)C)C)(C)C)O)O)OC(=O)C)OC(=O)C)OC(=O)C 1245.40 unknown https://doi.org/10.1248/CPB.36.2819
Soyasaponin Ba 91973815 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C 959.10 unknown https://doi.org/10.1016/S0021-9673(97)00157-X
https://doi.org/10.1271/BBB1961.55.315
https://doi.org/10.1021/NP010606G
https://doi.org/10.1021/NP50055A018
https://doi.org/10.1271/BBB1961.55.577
https://doi.org/10.1248/YAKUSHI1947.108.6_562
Soyasaponin I 122097 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O 943.10 unknown https://doi.org/10.1248/CPB.36.153
https://doi.org/10.1021/NP50087A031
https://doi.org/10.1248/CPB.33.3829
https://doi.org/10.1248/CPB.36.2829
https://doi.org/10.1248/YAKUSHI1947.104.2_162
https://doi.org/10.1021/NP980566P
https://doi.org/10.1271/BBB1961.55.577
https://doi.org/10.3136/FSTI9596T9798.1.112
https://doi.org/10.1016/J.FEBSLET.2010.03.037
https://doi.org/10.1021/NP50055A018
https://doi.org/10.1016/S0021-9673(97)00157-X
https://doi.org/10.1271/BBB1961.55.315
https://doi.org/10.1248/YAKUSHI1947.104.3_275
https://doi.org/10.1248/CPB.36.2819
https://doi.org/10.1055/S-2006-957416
https://doi.org/10.1248/CPB.33.598
soyasaponin I(1-) 53477584 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)[O-])O)O)CO)O)O)O)O)O 942.10 unknown via CMAUP database
Soyasaponin II 443614 Click to see CC1C(C(C(C(O1)OC2C(C(COC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)O)O)O)O)O 913.10 unknown https://doi.org/10.1248/YAKUSHI1947.104.2_162
https://doi.org/10.1021/NP50055A018
https://doi.org/10.1271/BBB1961.55.315
https://doi.org/10.1055/S-2006-957416
https://doi.org/10.1248/CPB.36.2819
https://doi.org/10.1271/BBB1961.55.577
https://doi.org/10.1248/CPB.33.3829
https://doi.org/10.1248/YAKUSHI1947.104.3_275
https://doi.org/10.1248/CPB.36.2829
https://doi.org/10.1016/S0021-9673(97)00157-X
https://doi.org/10.1248/CPB.36.153
https://doi.org/10.1248/CPB.33.598
Soyasaponin IV 24721354 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(CO7)O)O)O)C)C 767.00 unknown https://doi.org/10.1021/NP50055A018
https://doi.org/10.1016/S0021-9673(97)00157-X
https://doi.org/10.1055/S-2006-957416
https://doi.org/10.1016/S0031-9422(00)82387-0
SoyasaponinAA 101602226 Click to see CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)OC2C(COC(C2O)OC3C(C(CC4C3(CCC5(C4=CCC6C5(CCC7C6(CCC(C7(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)C)C)C)(C)C)O)O 1365.50 unknown https://doi.org/10.1248/CPB.36.2829
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
Dihydrofukinolide 101306810 Click to see CCC(C)C(=O)OC1CCC(C2(C1C(C3(C2)C(=C)COC3=O)OC(=O)C)C)C 392.50 unknown https://doi.org/10.1002/PMIC.201700366
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(3R,4S,4aR,6aS,6bR,9S,10S,12aR)-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,10-triol 52940190 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1O)O)C)C)C)(C)CO)O)C)C 474.70 unknown via CMAUP database
(3S,10S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol 91744939 Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C 426.70 unknown https://doi.org/10.1016/S0031-9422(00)94844-1
(3S,4S,6aR,6bS,8aR,9R,12aS,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol 44246636 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)O)C)C 458.70 unknown via CMAUP database
(3S,4S,6aR,8aS,12aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,12,12a,14,14a-dodecahydropicen-3-ol 5321408 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C=C1)C)C)C)(C)CO)O)C)C 440.70 unknown https://doi.org/10.1016/S0021-9673(00)96028-X
https://doi.org/10.1021/NP50004A009
(4aR,6aR,6aR,6bR,8aS,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-ol 138113838 Click to see CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC=C1C)C)C)C)(C)C)O)C 426.70 unknown https://doi.org/10.1016/S0031-9422(00)94844-1
(4aR,6aS,6bR,9S,12aR)-10-hydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-4-one 25202230 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(=O)C1)C)C)C)(C)CO)O)C)C 456.70 unknown via CMAUP database
(4aR,6bR,9S,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,10-triol 5321406 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1O)O)C)C)C)(C)CO)O)C)C 474.70 unknown https://doi.org/10.1248/YAKUSHI1947.108.6_562
https://doi.org/10.1021/NP50004A009
https://doi.org/10.1016/S0021-9673(00)96028-X
(4aS,6bR,9S,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-3-one 5321410 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1=O)C)C)C)(C)CO)O)C)C 456.70 unknown https://doi.org/10.1016/S0021-9673(00)96028-X
https://doi.org/10.1021/NP50004A009
(6Z,10E,14Z,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene 25244109 Click to see CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C 410.70 unknown via CMAUP database
[(2S,4aR,4bR,8R,10aR,10bR,12aR)-1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpent-3-enyl)-3,4,4b,5,7,9,10,11,12,12a-decahydro-2H-chrysen-2-yl] acetate 101677481 Click to see CC(=CCCC1(CCC2(C(=CCC3C2(CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C1)C)C)C 468.80 unknown https://doi.org/10.1016/S0031-9422(00)90422-9
[1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpent-3-enyl)-3,4,4b,5,7,9,10,11,12,12a-decahydro-2H-chrysen-2-yl] acetate 162924048 Click to see CC(=CCCC1(CCC2(C(=CCC3C2(CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C1)C)C)C 468.80 unknown https://doi.org/10.1016/S0031-9422(00)90422-9
24-Methylenedammarenol 15250873 Click to see CC(C)C(=C)CCC(=C)C1CCC2(C1CCC3C2(CCC4C3(CCC(C4(C)C)O)C)C)C 440.70 unknown https://doi.org/10.1016/S0031-9422(00)94844-1
alpha-Amyrin 73170 Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C 426.70 unknown https://doi.org/10.1016/S0031-9422(00)94844-1
ardisiamamilloside H 11125847 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3COC(C(C3O)O)OC4CCC5(C(C4(C)C)CCC6(C5CCC78C6(CC(=O)C9(C7CC(CC9)(C)C=O)CO8)C)C)C)CO)O)O)O)O)O 911.10 unknown https://doi.org/10.1016/S0031-9422(00)80831-6
Beta-Amyrin 73145 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C 426.70 unknown https://doi.org/10.1016/S0031-9422(00)94844-1
CID 429190 429190 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)O)C)C 458.70 unknown https://doi.org/10.1023/A:1024043104803
Dammaradienol 13893946 Click to see CC(=CCCC(=C)C1CCC2(C1CCC3C2(CCC4C3(CCC(C4(C)C)O)C)C)C)C 426.70 unknown https://doi.org/10.1016/S0031-9422(00)94844-1
ganoderol B 13934286 Click to see CC(CCC=C(C)CO)C1CCC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)C)C 440.70 unknown https://doi.org/10.1002/PMIC.201700366
Lanosta-8,24-dien-3-ol 856 Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C 426.70 unknown https://doi.org/10.1016/S0031-9422(00)94844-1
Lanosterol 246983 Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C 426.70 unknown https://doi.org/10.1016/S0031-9422(00)94844-1
Lupeol 259846 Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C 426.70 unknown https://doi.org/10.1016/S0031-9422(00)94844-1
Parkeol 12313974 Click to see CC(CCC=C(C)C)C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4(C)C)O)C)C)C 426.70 unknown https://doi.org/10.1016/S0031-9422(00)94844-1
Soyasapogenol A 12442849 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1O)O)C)C)C)(C)CO)O)C)C 474.70 unknown https://doi.org/10.1248/YAKUSHI1947.108.6_562
https://doi.org/10.1021/NP50004A009
https://doi.org/10.1016/S0021-9673(00)96028-X
Soyasapogenol B 115012 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)O)C)C 458.70 unknown https://doi.org/10.1248/YAKUSHI1947.108.6_562
https://doi.org/10.1021/NP50004A009
https://doi.org/10.1016/S0021-9673(00)96028-X
Soyasapogenol C 3083637 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C=C1)C)C)C)(C)CO)O)C)C 440.70 unknown https://doi.org/10.1016/S0021-9673(00)96028-X
https://doi.org/10.1002/CBER.19370701008
https://doi.org/10.1248/YAKUSHI1881.57.4_464
https://doi.org/10.1002/JLAC.19314890110
https://doi.org/10.1021/NP50004A009
https://doi.org/10.1002/HLCA.19500330333
Soyasapogenol D 46173903 Click to see CC1(CC(C2(CCC3(C(=C2C1)CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C)C)OC)C 472.70 unknown https://doi.org/10.1021/NP50004A009
Soyasapogenol E 13632872 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(=O)C1)C)C)C)(C)CO)O)C)C 456.70 unknown https://doi.org/10.1016/S0021-9673(00)96028-X
https://doi.org/10.1021/NP50004A009
Soyasapogenol M1 12442855 Click to see CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C=C1)C)C)C)(C)CO)O)C)C 440.70 unknown https://doi.org/10.1002/JLAC.19314890110
https://doi.org/10.1248/YAKUSHI1881.57.4_464
https://doi.org/10.1002/CBER.19370701008
https://doi.org/10.1002/HLCA.19500330333
Squalene 638072 Click to see CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C 410.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Saccharolipids
Licoagroside B 22297602 Click to see CC1=C(C(=O)C=CO1)OC2C(C(C(C(O2)COC(=O)CC(C)(CC(=O)O)O)O)O)O 432.40 unknown https://doi.org/10.1002/PMIC.201700366
> Lipids and lipid-like molecules / Sphingolipids / Glycosphingolipids / Simple glycosylceramides / Glycosyl-N-acylsphingosines
2-hydroxy-N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocos-4-en-2-yl]hexadecanamide 163065585 Click to see CCCCCCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)C(CCCCCCCCCCCCCC)O)O 772.10 unknown https://doi.org/10.1271/BBB1961.46.2855
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Glycinated bile acids and derivatives
2-[[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid 45109806 Click to see CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C 465.60 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cucurbitacins
(3S,8R,9S,13R)-9-ethyl-4,4,13,14-tetramethyl-17-(6-methylheptan-2-yl)-2,3,5,6,7,8,10,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 5316233 Click to see CCC12CCC3(C(CCC3(C1CCC4C2CCC(C4(C)C)O)C)C(C)CCCC(C)C)C 444.80 unknown https://doi.org/10.1016/S0031-9422(00)94844-1
[(3S,8R,9S,13R)-9-ethyl-4,4,13,14-tetramethyl-17-(6-methylheptan-2-yl)-2,3,5,6,7,8,10,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate 5316234 Click to see CCC12CCC3(C(CCC3(C1CCC4C2CCC(C4(C)C)OC(=O)C)C)C(C)CCCC(C)C)C 486.80 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cycloartanols and derivatives
(3R,6S,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol 45109773 Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C 426.70 unknown via CMAUP database
24-Methylene-cycloartanol 9547213 Click to see CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C 440.70 unknown https://doi.org/10.1016/S0031-9422(00)94844-1
CID 16061351 16061351 Click to see CC(C)CCCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C 428.70 unknown via CMAUP database
Cycloartanol 12760132 Click to see CC(C)CCCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C 428.70 unknown https://doi.org/10.1016/S0031-9422(00)94844-1
Cycloartenol 92110 Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C 426.70 unknown via CMAUP database
Cycloartenone 12305360 Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C 424.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
(3S,8S,9S,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 134766514 Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C 400.70 unknown https://doi.org/10.1111/J.1365-2621.1990.TB06074.X
(8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 51051617 Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CC=C(C4)O)C)C 400.70 unknown via CMAUP database
5-Cholestene-3-ol, 24-methyl- 312822 Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C 400.70 unknown https://doi.org/10.1111/J.1365-2621.1990.TB06074.X
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Estrane steroids / Estrogens and derivatives
17-Deoxyestradiol 5888 Click to see CC12CCCC1C3CCC4=C(C3CC2)C=CC(=C4)O 256.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid esters
Campesteryl ferulate 15056832 Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C=CC5=CC(=C(C=C5)O)OC)C)C 576.80 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides
(3S,5S,6R,7S,8S,9S,10R,13R,14S,15R,17R)-10,13-dimethyl-17-[(2R,5S)-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,7,15-tetrol 163001690 Click to see CC(C)C(CCC(C)C1CC(C2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)C)O)OC5C(C(C(CO5)O)O)O 584.80 unknown https://doi.org/10.1021/JO00275A026
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(3R,8R,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene 50930798 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)C)C)C)C(C)C 410.70 unknown via CMAUP database
(3S,8R,9R,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 636741 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 414.70 unknown via CMAUP database
(6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-propan-2-ylhept-3-en-2-one 129638321 Click to see CC(C)C(=CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C)C(=O)C 412.70 unknown https://doi.org/10.1016/S0031-9422(00)94844-1
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/10.1111/J.1365-2621.1990.TB06074.X
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/10.1111/J.1365-2621.1990.TB06074.X
Stigmasterol 5280794 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 412.70 unknown https://doi.org/10.1111/J.1365-2621.1990.TB06074.X
> Nucleosides, nucleotides, and analogues / Pyrimidine nucleotides / Pyrimidine nucleotide sugars
Uridine 5'-(trihydrogen diphosphate), mono-alpha-d-glucopyranosyl ester 1166 Click to see C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O 566.30 unknown https://doi.org/10.1271/BBB1961.45.2907
Uridine-5'-diphosphate-glucose 8629 Click to see C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O 566.30 unknown https://doi.org/10.1271/BBB1961.45.2907
> Nucleosides, nucleotides, and analogues / Pyrimidine nucleotides / Pyrimidine ribonucleotides / Pyrimidine ribonucleoside diphosphates
UDP-xylose 19235 Click to see C1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O)O 536.28 unknown https://doi.org/10.1271/BBB1961.45.2907
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alanine and derivatives
(2S)-2-(phenylazaniumyl)propanoate 6946449 Click to see CC(C(=O)[O-])[NH2+]C1=CC=CC=C1 165.19 unknown https://doi.org/10.1007/BF00576124
Alanine 5950 Click to see CC(C(=O)O)N 89.09 unknown https://doi.org/10.1007/BF00576124
D-alanine 71080 Click to see CC(C(=O)O)N 89.09 unknown https://doi.org/10.1007/BF00576124
DL-Alanine 602 Click to see CC(C(=O)O)N 89.09 unknown https://doi.org/10.1007/BF00576124
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acid esters
(2R,3S,4R,5R)-6-[2-(dimethylazaniumyl)acetyl]oxy-2,3,4,5-tetrahydroxyhexanoate 52897285 Click to see C[NH+](C)CC(=O)OCC(C(C(C(C(=O)[O-])O)O)O)O 281.26 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids
2-amino-3-(1H-imidazol-2-yl)propanoic acid 300799 Click to see C1=CN=C(N1)CC(C(=O)O)N 155.15 unknown https://doi.org/10.1007/BF00576124
DL-Threonine 205 Click to see CC(C(C(=O)O)N)O 119.12 unknown https://doi.org/10.1007/BF00576124
Lysine, DL- 866 Click to see C(CCN)CC(C(=O)O)N 146.19 unknown https://doi.org/10.1007/BF00576124
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / L-alpha-amino acids
3-Imidazolyl-L-alanine 11955442 Click to see C1=CN=C(N1)CC(C(=O)O)N 155.15 unknown https://doi.org/10.1007/BF00576124
Arginine 6322 Click to see C(CC(C(=O)O)N)CN=C(N)N 174.20 unknown https://doi.org/10.1002/PMIC.201700366
https://doi.org/10.1007/BF00576124
Lysine 5962 Click to see C(CCN)CC(C(=O)O)N 146.19 unknown https://doi.org/10.1007/BF00576124
Nicotianamine 9882882 Click to see C1CN(C1C(=O)O)CCC(C(=O)O)NCCC(C(=O)O)N 303.31 unknown https://doi.org/10.1271/BBB.57.1107
Threonine 6288 Click to see CC(C(C(=O)O)N)O 119.12 unknown https://doi.org/10.1007/BF00576124
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Arginine and derivatives
DL-Arginine 232 Click to see C(CC(C(=O)O)N)CN=C(N)N 174.20 unknown https://doi.org/10.1007/BF00576124
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Aspartic acid and derivatives
Aspartic Acid 5960 Click to see C(C(C(=O)O)N)C(=O)O 133.10 unknown https://doi.org/10.1007/BF00576124
D-Aspartic acid 83887 Click to see C(C(C(=O)O)N)C(=O)O 133.10 unknown https://doi.org/10.1007/BF00576124
DL-Aspartic acid 424 Click to see C(C(C(=O)O)N)C(=O)O 133.10 unknown https://doi.org/10.1007/BF00576124
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Glutamic acid and derivatives
DL-Glutamic acid 611 Click to see C(CC(=O)O)C(C(=O)O)N 147.13 unknown https://doi.org/10.1007/BF00576124
Glutamic Acid 33032 Click to see C(CC(=O)O)C(C(=O)O)N 147.13 unknown https://doi.org/10.1007/BF00576124
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Histidine and derivatives
Histidine 6274 Click to see C1=C(NC=N1)CC(C(=O)O)N 155.15 unknown https://doi.org/10.1007/BF00576124
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Isoleucine and derivatives
DL-Isoleucine 791 Click to see CCC(C)C(C(=O)O)N 131.17 unknown https://doi.org/10.1007/BF00576124
l-Isoleucine 6306 Click to see CCC(C)C(C(=O)O)N 131.17 unknown https://doi.org/10.1007/BF00576124
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Leucine and derivatives
DL-Leucine 857 Click to see CC(C)CC(C(=O)O)N 131.17 unknown https://doi.org/10.1007/BF00576124
Leucine 6106 Click to see CC(C)CC(C(=O)O)N 131.17 unknown https://doi.org/10.1007/BF00576124
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Methionine and derivatives
D-Methionine 84815 Click to see CSCCC(C(=O)O)N 149.21 unknown https://doi.org/10.1007/BF00576124
Methionine 6137 Click to see CSCCC(C(=O)O)N 149.21 unknown https://doi.org/10.1007/BF00576124
Racemethionine 876 Click to see CSCCC(C(=O)O)N 149.21 unknown https://doi.org/10.1007/BF00576124
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Phenylalanine and derivatives
D-phenylalanine 71567 Click to see C1=CC=C(C=C1)CC(C(=O)O)N 165.19 unknown https://doi.org/10.1007/BF00576124
DL-Phenylalanine 994 Click to see C1=CC=C(C=C1)CC(C(=O)O)N 165.19 unknown https://doi.org/10.1002/PMIC.201700366
https://doi.org/10.1007/BF00576124
Phenylalanine 6140 Click to see C1=CC=C(C=C1)CC(C(=O)O)N 165.19 unknown https://doi.org/10.1007/BF00576124
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Proline and derivatives
DL-Proline 614 Click to see C1CC(NC1)C(=O)O 115.13 unknown https://doi.org/10.1007/BF00576124
Proline 145742 Click to see C1CC(NC1)C(=O)O 115.13 unknown https://doi.org/10.1007/BF00576124
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Serine and derivatives
DL-Serine 617 Click to see C(C(C(=O)O)N)O 105.09 unknown https://doi.org/10.1007/BF00576124
Serine 5951 Click to see C(C(C(=O)O)N)O 105.09 unknown https://doi.org/10.1007/BF00576124
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Tyrosine and derivatives
DL-Tyrosine 1153 Click to see C1=CC(=CC=C1CC(C(=O)O)N)O 181.19 unknown https://doi.org/10.1007/BF00576124
Tyrosine 6057 Click to see C1=CC(=CC=C1CC(C(=O)O)N)O 181.19 unknown https://doi.org/10.1007/BF00576124
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Valine and derivatives
DL-Valine 1182 Click to see CC(C)C(C(=O)O)N 117.15 unknown https://doi.org/10.1007/BF00576124
Valine 6287 Click to see CC(C)C(C(=O)O)N 117.15 unknown https://doi.org/10.1007/BF00576124
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Cysteine and derivatives
D-Cystine 6857538 Click to see C(C(C(=O)O)N)SSCC(C(=O)O)N 240.30 unknown https://doi.org/10.1007/BF00576124
DL-Cystine 595 Click to see C(C(C(=O)O)N)SSCC(C(=O)O)N 240.30 unknown https://doi.org/10.1007/BF00576124
meso-Cystine 6991966 Click to see C(C(C(=O)O)N)SSCC(C(=O)O)N 240.30 unknown https://doi.org/10.1007/BF00576124
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Cysteine and derivatives / L-cysteine-S-conjugates
Cystine 67678 Click to see C(C(C(=O)O)N)SSCC(C(=O)O)N 240.30 unknown https://doi.org/10.1007/BF00576124
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides / Dipeptides
Valylglutamic acid 7009623 Click to see CC(C)C(C(=O)NC(CCC(=O)O)C(=O)O)N 246.26 unknown https://doi.org/10.1002/PMIC.201700366
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides / Oligopeptides
His-His-Leu 9844201 Click to see CC(C)CC(C(=O)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CN=CN2)N 405.50 unknown https://doi.org/10.1021/JF001135R
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
[(1S,2Z,8R,9R,11S)-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] (E)-5-acetyloxypent-3-enoate 5318986 Click to see CC1=CC2C(C(CC3(C=CC1(O3)O)C)OC(=O)CC=CCOC(=O)C)C(=C)C(=O)O2 418.40 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
trans-Aconitate 5289496 Click to see C(C(=CC(=O)[O-])C(=O)[O-])C(=O)[O-] 171.08 unknown via CMAUP database
trans-Aconitic acid 444212 Click to see C(C(=CC(=O)O)C(=O)O)C(=O)O 174.11 unknown via CMAUP database
> Organic acids and derivatives / Peptidomimetics / Hybrid peptides
Pantothenoylcysteine 440217 Click to see CC(C)(CO)C(C(=O)NCCC(=O)NC(CS)C(=O)O)O 322.38 unknown https://doi.org/10.1002/PMIC.201700366
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Alkanolamines / 1,2-aminoalcohols
Sphingosine 5280335 Click to see CCCCCCCCCCCCCC=CC(C(CO)N)O 299.50 unknown https://doi.org/10.1271/BBB1961.46.2855
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Primary amines / Monoalkylamines
1,4-Diaminobutane 1045 Click to see C(CCN)CN 88.15 unknown https://doi.org/10.1016/0031-9422(90)85450-T
4-aminobutylazanium;chloride 85247068 Click to see C(CCN)C[NH3+].[Cl-] 124.61 unknown via CMAUP database
Cadaverine 273 Click to see C(CCN)CCN 102.18 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1081074/
https://doi.org/10.1016/0031-9422(90)85450-T
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Secondary amines / Dialkylamines
N,N'-bis(3-aminopropyl)(1,4-13C2)butane-1,4-diamine 10655817 Click to see C(CCNCCCN)CNCCCN 204.33 unknown via CMAUP database
Spermidine 1102 Click to see C(CCNCCCN)CN 145.25 unknown https://doi.org/10.1016/0031-9422(90)85450-T
Spermine 1103 Click to see C(CCNCCCN)CNCCCN 202.34 unknown https://doi.org/10.1016/0031-9422(90)85450-T
Sym-homospermidine 368 Click to see C(CCNCCCCN)CN 159.27 unknown https://doi.org/10.1016/0031-9422(90)85450-T
> Organic nitrogen compounds / Organonitrogen compounds / Guanidines
Agmatine 199 Click to see C(CCN=C(N)N)CN 130.19 unknown https://doi.org/10.1016/0031-9422(90)85450-T
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclic alcohols and derivatives
6-(Hydroxymethyl)-6,10,17,17,20,22,23-heptamethyl-2-oxapentacyclo[12.7.1.13,11.05,10.015,20]tricos-14-en-7-ol 5321409 Click to see CC1C2CCC3=C4CC(CCC4(CC(C3C)OC1CC5C2(CCC(C5(C)CO)O)C)C)(C)C 458.70 unknown https://doi.org/10.1021/NP50004A009
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Inositol phosphates
Phytic acid 890 Click to see C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O 660.04 unknown https://doi.org/10.1021/JF00049A024
https://doi.org/10.1021/JF00048A015
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
(1R,3R,4R,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid 7067335 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 354.31 unknown https://doi.org/10.1007/BF00575726
3-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid 348159 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 354.31 unknown https://doi.org/10.1007/BF00575726
Chlorogenic Acid 1794427 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 354.31 unknown https://doi.org/10.1007/BF00575726
https://doi.org/10.1016/S0021-9673(01)87655-X
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 https://doi.org/10.1007/BF00575726
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols / Cyclohexanols
1D-1-O-Methyl-myo-inositol 440078 Click to see COC1C(C(C(C(C1O)O)O)O)O 194.18 unknown https://doi.org/10.1021/JF00123A066
6-Methoxycyclohexane-1,2,3,4,5-pentol 230881 Click to see COC1C(C(C(C(C1O)O)O)O)O 194.18 unknown https://doi.org/10.1021/JF00111A011
https://doi.org/10.1016/S0031-9422(00)80831-6
https://doi.org/10.1016/S0031-9422(00)80263-0
https://doi.org/10.1016/S0031-9422(96)00795-9
https://doi.org/10.1271/BBB1961.49.933
D-Pinitol 164619 Click to see COC1C(C(C(C(C1O)O)O)O)O 194.18 unknown https://doi.org/10.1021/JF00123A066
Inositol 892 Click to see C1(C(C(C(C(C1O)O)O)O)O)O 180.16 unknown https://doi.org/10.1021/JF00111A011
https://doi.org/10.1016/S0031-9422(00)80831-6
https://doi.org/10.1271/BBB1961.49.933
Ononitol 5320294 Click to see COC1C(C(C(C(C1O)O)O)O)O 194.18 unknown https://doi.org/10.1016/S0031-9422(00)80831-6
Sequoyitol 439990 Click to see COC1C(C(C(C(C1O)O)O)O)O 194.18 unknown https://doi.org/10.1021/JF00111A011
https://doi.org/10.1021/JF00123A066
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / 2-deoxystreptamine aminoglycosides / 4,5-disubstituted 2-deoxystreptamines
Framycetin 8378 Click to see C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N 614.60 unknown https://doi.org/10.1002/PMIC.201700366
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / C-glycosyl compounds
Delphinidin, 3-fructoside 54605857 Click to see C1C(CC2C(C1O)CC(C(O2)C3=CC(=C(C(=C3)O)O)O)OC4(C(C(C(O4)CO)O)O)CO)O 474.50 unknown via CMAUP database
Digalactosylglycerol 129663930 Click to see C(C1C(C(C(C(O1)C(C(C(C2C(C(C(C(O2)CO)O)O)O)O)O)O)O)O)O)O 416.37 unknown https://doi.org/10.1271/BBB1961.49.933
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
(1S,2S,4R,5S)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol 129629405 Click to see C(C1C(C(C(C(O1)OC2C(C(C(C(C2O)O)O)O)O)O)O)O)O 342.30 unknown https://doi.org/10.1271/BBB1961.49.933
Ciceritol 10142653 Click to see COC1C(C(C(C(C1O)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O)O 518.50 unknown https://doi.org/10.1271/BBB1961.49.933
galactopinitol A 25201084 Click to see COC1C(C(C(C(C1O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O 356.32 unknown https://doi.org/10.1271/BBB1961.49.933
galactopinitol B 101926786 Click to see COC1C(C(C(C(C1O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O 356.32 unknown https://doi.org/10.1271/BBB1961.49.933
Sucrose 5988 Click to see C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O 342.30 unknown https://doi.org/10.1271/BBB.56.99
https://doi.org/10.1271/BBB1961.49.933
https://doi.org/10.1111/J.1365-2621.1983.TB09208.X
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
Phenyl beta-D-glucopyranosiduronic acid 87235 Click to see C1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O 270.23 unknown https://doi.org/10.1002/PMIC.201700366
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides
D-(-)-Fructose 5984 Click to see C(C(C(C(C(=O)CO)O)O)O)O 180.16 unknown https://doi.org/10.1111/J.1365-2621.1983.TB09208.X
D-Fructose 2723872 Click to see C1C(C(C(C(O1)(CO)O)O)O)O 180.16 unknown https://doi.org/10.1111/J.1365-2621.1983.TB09208.X
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal 107526 Click to see C(C(C(C(C(C=O)O)O)O)O)O 180.16 unknown https://doi.org/10.1111/J.1365-2621.1983.TB09208.X
D-Glucose 5793 Click to see C(C1C(C(C(C(O1)O)O)O)O)O 180.16 unknown https://doi.org/10.1111/J.1365-2621.1983.TB09208.X
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
Gal(a1-6)D-Ido(a1-6)Glc(a1-2b)Psif 132990894 Click to see C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4(C(C(C(O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O 666.60 unknown https://doi.org/10.1271/BBB1961.49.933
https://doi.org/10.1271/BBB.56.99
https://doi.org/10.1111/J.1365-2621.1983.TB09208.X
Raffinose 439242 Click to see C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O 504.40 unknown https://doi.org/10.1271/BBB1961.49.933
https://doi.org/10.1111/J.1365-2621.1983.TB09208.X
https://doi.org/10.1271/BBB.56.99
https://doi.org/10.1016/S0031-9422(00)80263-0
Stachyose 439531 Click to see C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4(C(C(C(O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O 666.60 unknown https://doi.org/10.1271/BBB1961.49.933
https://doi.org/10.1271/BBB.56.99
https://doi.org/10.1111/J.1365-2621.1983.TB09208.X
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives
2,3,3-trideuterio-2,3-dihydroxy(1,2-13C2)propanoic acid 10887854 Click to see C(C(C(=O)O)O)O 111.08 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzoquinones / P-benzoquinones
5-O-Methylembelin 171489 Click to see CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O 308.40 unknown https://doi.org/10.1002/PMIC.201700366
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
(1S,4S,6S,9R,13R,14R)-13-ethenyl-6-hydroxy-5,5,9,13-tetramethyl-15-oxatetracyclo[8.5.0.01,14.04,9]pentadec-10-ene-7,12-dione 163007839 Click to see CC1(C2CCC34C(O3)C(C(=O)C=C4C2(CC(=O)C1O)C)(C)C=C)C 330.40 unknown https://doi.org/10.1002/PMIC.201700366
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
Phlorisobutyrophenone 5326317 Click to see CC(C)C(=O)C1=C(C=C(C=C1O)O)O 196.20 unknown via CMAUP database
> Organoheterocyclic compounds / Azoles / Imidazoles
Allantoin 204 Click to see C1(C(=O)NC(=O)N1)NC(=O)N 158.12 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1064470/
https://doi.org/10.1007/BF00576124
> Organoheterocyclic compounds / Azolidines / Imidazolidines / Hydantoins / Allantoins
(S)-(+)-allantoin 439714 Click to see C1(C(=O)NC(=O)N1)NC(=O)N 158.12 unknown https://doi.org/10.1007/BF00576124
> Organoheterocyclic compounds / Benzodiazepines / 1,4-benzodiazepines
Nordazepam 2997 Click to see C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3 270.71 unknown https://doi.org/10.1016/0024-3205(91)90347-E
> Organoheterocyclic compounds / Diazanaphthalenes / Naphthyridines
Benzo(c)(2,7)naphthyridin-4(3H)-one 5748566 Click to see C1=CC=C2C(=C1)C3=C(C=N2)C(=O)NC=C3 196.20 unknown https://doi.org/10.1016/S0040-4039(00)84806-6
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / 6-aminopurines
Adenine 190 Click to see C1=NC2=NC=NC(=C2N1)N 135.13 unknown https://doi.org/10.4327/JSNFS.38.129
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives
(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoate 6923516 Click to see C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])[NH3+] 204.22 unknown via CMAUP database
D-Tryptophan 9060 Click to see C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N 204.22 unknown via CMAUP database
Tryptophan 6305 Click to see C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N 204.22 unknown https://doi.org/10.1002/PMIC.201700366
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives / Indole-3-acetic acid derivatives
Indole-3-acetic acid 802 Click to see C1=CC=C2C(=C1)C(=CN2)CC(=O)O 175.18 unknown https://doi.org/10.1080/00380768.1991.10415039
> Organoheterocyclic compounds / Indolizidines
Lentiginosine 442645 Click to see C1CCN2CC(C(C2C1)O)O 157.21 unknown https://doi.org/10.1021/JO00275A026
> Organoheterocyclic compounds / Pyrans / Pyranones and derivatives
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 / Pyridinecarboxylic acids and derivatives / Pyridinecarboxylic acids
Nicotinic acid 938 Click to see C1=CC(=CN=C1)C(=O)O 123.11 unknown https://doi.org/10.1111/J.1439-037X.1991.TB00948.X
> Organoheterocyclic compounds / Quinolines and derivatives / Furanoquinolines
Kokusagine 5318829 Click to see COC1=C2C=COC2=NC3=C1C=CC4=C3OCO4 243.21 unknown via CMAUP database
> Organoheterocyclic compounds / Quinolines and derivatives / Quinolones and derivatives / Hydroquinolones
8-(2,3-Dihydroxy-3-methoxybutoxy)-4-methoxy-1-methylquinolin-2(1H)-one 16219364 Click to see CC(C(COC1=CC=CC2=C1N(C(=O)C=C2OC)C)O)(O)OC 323.34 unknown via CMAUP database
> Organoheterocyclic compounds / Tetrapyrroles and derivatives / Bilirubins
4E,15Z-Bilirubin IXa 21252250 Click to see CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)C=C4C(=C(C(=O)N4)C=C)C 584.70 unknown https://doi.org/10.1002/PMIC.201700366
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
2-Hydroxycinnamic acid, (2E)- 637540 Click to see C1=CC=C(C(=C1)C=CC(=O)O)O 164.16 unknown https://doi.org/10.1016/S0021-9673(01)87655-X
3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoic acid 709 Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O 194.18 unknown https://doi.org/10.1007/BF00575726
4-Hydroxycinnamic acid 322 Click to see C1=CC(=CC=C1C=CC(=O)O)O 164.16 unknown https://doi.org/10.1007/BF00575726
https://doi.org/10.1016/0098-8472(86)90054-7
Caffeic Acid 689043 Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O 180.16 unknown https://doi.org/10.1016/0098-8472(86)90054-7
https://doi.org/10.1021/JF00123A028
https://doi.org/10.1016/S0021-9673(01)87655-X
Ferulic acid 445858 Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O 194.18 unknown https://doi.org/10.1021/JF00123A028
https://doi.org/10.1007/BF00575726
https://doi.org/10.1016/S0021-9673(01)87655-X
https://doi.org/10.1021/NP980566P
https://doi.org/10.1016/0098-8472(86)90054-7
Isoferulic acid 736186 Click to see COC1=C(C=C(C=C1)C=CC(=O)O)O 194.18 unknown https://doi.org/10.1021/JF00123A028
p-Coumaric acid 637542 Click to see C1=CC(=CC=C1C=CC(=O)O)O 164.16 unknown https://doi.org/10.1021/JF00123A028
https://doi.org/10.1007/BF00575726
https://doi.org/10.1016/S0021-9673(01)87655-X
https://doi.org/10.1016/0098-8472(86)90054-7
Sinapinic acid 637775 Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)O 224.21 unknown https://doi.org/10.1021/JF00123A028
https://doi.org/10.1016/S0021-9673(01)87655-X
> Phenylpropanoids and polyketides / Depsides and depsidones
Squamatic acid 5321482 Click to see CC1=CC(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C=C2C)OC)C(=O)O)O 390.30 unknown via CMAUP database
> Phenylpropanoids and polyketides / Diarylheptanoids / Linear diarylheptanoids
Gingerenone B 5317592 Click to see COC1=CC(=CC(=C1O)OC)CCC=CC(=O)CCC2=CC(=C(C=C2)O)OC 386.40 unknown https://doi.org/10.1002/PMIC.201700366
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
Cianidanol 9064 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/10.1016/S0021-9673(01)87655-X
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/10.1016/S0021-9673(01)87655-X
https://doi.org/10.1093/AJCN/68.6.1480S
> 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 https://doi.org/10.1016/0098-8472(86)90054-7
5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one 932 Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O 272.25 unknown https://doi.org/10.1016/0098-8472(86)90054-7
> 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 via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Fisetin 5281614 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O 286.24 unknown https://doi.org/10.1007/BF02259383
Kaempferol 5280863 Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O 286.24 unknown https://doi.org/10.1007/BF02259383
https://doi.org/10.1016/0098-8472(86)90054-7
https://doi.org/10.1034/J.1399-3054.1992.860213.X
https://doi.org/10.1007/BF00575726
https://doi.org/10.1016/S0021-9673(01)87655-X
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1066785/
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/10.1016/S0021-9673(01)87655-X
https://doi.org/10.1016/0098-8472(86)90054-7
https://doi.org/10.1007/BF00575726
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-3-O-glycosides
(2S,5R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 44256700 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
(2S,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 44256715 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
Cyanidin 3-galactoside 176457 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.[Cl-] 484.80 unknown via CMAUP database
Cyanidin 3-glucoside chloride 197081 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.[Cl-] 484.80 unknown via CMAUP database
Cyanidin-3-glucoside 92131208 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
Delphinidin 3-glucoside chloride 165558 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.[Cl-] 500.80 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 https://doi.org/10.3892/OR.10.2.297
https://doi.org/10.1021/JF010550W
Pelargonidin 3-glucoside ion 443648 Click to see C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O 433.40 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 https://doi.org/10.1021/JF010550W
Petunidin 3-monoglucoside 176449 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.[Cl-] 514.90 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-5-O-glycosides
Cyanin 441688 Click to see C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O 611.50 unknown https://doi.org/10.1271/BBB.60.589
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one 133562448 Click to see C1C(C(C(C(O1)C2=C3C(=C(C(=C2O)C4C(C(C(C(O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC(=C(C=C5)O)O)O)O)O 580.50 unknown https://doi.org/10.1016/S0031-9422(00)82629-1
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one 3542481 Click to see C1C(C(C(C(O1)C2=C3C(=C(C(=C2O)C4C(C(C(C(O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC(=C(C=C5)O)O)O)O)O 580.50 unknown https://doi.org/10.1016/S0031-9422(00)82629-1
2-(3,4-Dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-6-beta-D-xylopyranosyl-4H-1-benzopyran-4-one 73802481 Click to see C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC(=C(C=C4)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O 580.50 unknown https://doi.org/10.1016/S0031-9422(00)82629-1
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 5378180 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O 432.40 unknown https://doi.org/10.1016/S0031-9422(00)82629-1
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 154497677 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O 432.40 unknown https://doi.org/10.1016/S0031-9422(00)82629-1
8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 162848612 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O 578.50 unknown https://doi.org/10.1016/S0031-9422(00)82629-1
Carlinoside 442584 Click to see C1C(C(C(C(O1)C2=C3C(=C(C(=C2O)C4C(C(C(C(O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC(=C(C=C5)O)O)O)O)O 580.50 unknown https://doi.org/10.1016/S0031-9422(00)82629-1
Corymboside 13644660 Click to see C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O 564.50 unknown https://doi.org/10.1016/S0031-9422(00)82629-1
Isocarlinoside 21576182 Click to see C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC(=C(C=C4)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O 580.50 unknown https://doi.org/10.1016/S0031-9422(00)82629-1
Isoschaftoside 3084995 Click to see C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O 564.50 unknown https://doi.org/10.1016/S0031-9422(00)82629-1
Vitexin 5280441 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O 432.40 unknown https://doi.org/10.1016/S0031-9422(00)82629-1
Vitexin-2''-O-rhamnoside 129661210 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O 578.50 unknown https://doi.org/10.1016/S0031-9422(00)82629-1
Vitexin-2"-O-rhamnoside 5874704 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O 578.50 unknown https://doi.org/10.1016/S0031-9422(00)82629-1
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 51402807 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/10.1007/BF00580089
3-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 10919701 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)OC6C(C(C(C(O6)C)O)O)O)O)O)O)O)O 740.70 unknown https://doi.org/10.1055/S-2002-32545
3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 162869846 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OCC3C(C(C(C(O3)OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O)O)O)CO)O)O)O)O)O 756.70 unknown https://doi.org/10.1055/S-2002-32545
3-[6-[[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 74978096 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OCC3C(C(C(C(O3)OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O)O)O)CO)O)O)O)O)O 756.70 unknown https://doi.org/10.1055/S-2002-32545
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one 12313332 Click to see 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 594.50 unknown https://doi.org/10.1055/S-2002-32545
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 https://doi.org/10.1007/BF02259383
https://doi.org/10.1007/BF00580089
Biorobin 15944778 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 594.50 unknown https://doi.org/10.1055/S-2002-32545
Kaempferol 3-gentiobioside 9960512 Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O 610.50 unknown https://doi.org/10.1007/BF02259383
Kaempferol 3-neohesperidoside 5318761 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O)O 594.50 unknown https://doi.org/10.1007/BF02259383
Kaempferol-3-O-rutinoside 5318767 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 594.50 unknown https://doi.org/10.1007/BF00580089
https://doi.org/10.1007/BF02259383
https://doi.org/10.1055/S-2002-32545
Mauritianin 5459192 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)OC6C(C(C(C(O6)C)O)O)O)O)O)O)O)O 740.70 unknown https://doi.org/10.1055/S-2002-32545
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/10.1016/S0021-9673(01)87655-X
Rutin 5280805 Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O 610.50 unknown https://doi.org/10.1007/BF00580089
Sophoraflavonoloside 5282155 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)OC5C(C(C(C(O5)CO)O)O)O)O 610.50 unknown https://doi.org/10.1007/BF02259383
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
Robinin 5281693 Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O 740.70 unknown https://doi.org/10.1002/PMIC.201700366
> Phenylpropanoids and polyketides / Flavonoids / Hydroxyflavonoids / 7-hydroxyflavonoids
2-(4-Hydroxyphenyl)chromenylium-5,7-diol 441647 Click to see C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2)O)O)O 255.24 unknown https://doi.org/10.1016/S0031-9422(01)00378-8
Cyanidin 128861 Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O 287.24 unknown via CMAUP database
Cyanidin chloride 68247 Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O.[Cl-] 322.69 unknown via CMAUP database
Cyanidin chloride monohydrate 6917937 Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O.O.[Cl-] 340.71 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 6-O-methylated flavonoids
Hispidulin 5281628 Click to see COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O 300.26 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
Cirsimaritin 188323 Click to see COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC 314.29 unknown via CMAUP database
Eupatorin 97214 Click to see COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O 344.30 unknown via CMAUP database
Genkwanin 5281617 Click to see COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O 284.26 unknown via CMAUP database
Sakuranetin 73571 Click to see COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O 286.28 unknown via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Coumestans
Coumestrin 74977392 Click to see C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O 430.40 unknown https://doi.org/10.1016/S0031-9422(00)82649-7
Coumestrol 5281707 Click to see C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O 268.22 unknown https://doi.org/10.1016/0098-8472(86)90054-7
https://doi.org/10.1016/S0031-9422(00)82649-7
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1075809/
https://doi.org/10.1006/JFCA.2000.0948
https://doi.org/10.1016/0098-8472(85)90006-1
https://doi.org/10.1021/NP50048A030
Isosojagol 16744613 Click to see CC(=CCC1=C(C=CC2=C1OC3=C2C(=O)OC4=C3C=CC(=C4)O)O)C 336.30 unknown https://doi.org/10.1002/PMIC.201700366
Phaseol 44257530 Click to see CC(=CCC1=C(C=CC2=C1OC(=O)C3=C2OC4=C3C=CC(=C4)O)O)C 336.30 unknown https://doi.org/10.1021/NP50048A030
Sojagol 5281809 Click to see CC1(CCC2=C(O1)C=CC3=C2OC4=C3C(=O)OC5=C4C=CC(=C5)O)C 336.30 unknown https://doi.org/10.1002/JPS.2600640504
> Phenylpropanoids and polyketides / Isoflavonoids / Furanoisoflavonoids / Pterocarpans
(-)-glyceollin I 4475100 Click to see CC1(C=CC2=C(O1)C=CC3=C2OCC4(C3OC5=C4C=CC(=C5)O)O)C 338.40 unknown https://doi.org/10.1021/JF801905Y
https://doi.org/10.1016/0031-9422(95)00404-U
(-)-Glycinol 129648 Click to see C1C2(C(C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O)O 272.25 unknown https://doi.org/10.1016/0031-9422(95)00404-U
(-)-Phaseolin 121232634 Click to see CC1(CCC2=C(O1)C=CC3=C2OC4C3COC5=C4C=CC(=C5)O)C 324.40 unknown https://doi.org/10.1002/PMIC.201700366
(1R,6S,13R)-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaene-13,17-diol 6454112 Click to see CC(=C)C1CC2=CC3=C(C=C2O1)OCC4(C3OC5=C4C=CC(=C5)O)O 338.40 unknown https://doi.org/10.1021/JF801905Y
https://doi.org/10.1016/0031-9422(95)00404-U
(1S,6R,13S)-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaene-13,17-diol 101682262 Click to see CC(=C)C1CC2=CC3=C(C=C2O1)OCC4(C3OC5=C4C=CC(=C5)O)O 338.40 unknown https://doi.org/10.1016/0031-9422(95)00404-U
1,2-Dihydro-2-(1-methylethenyl)-6H-benzofuro[3,2-c]furo[3,2-g][1]benzopyran-6a,9(11aH)-diol, 9CI 12002084 Click to see CC(=C)C1CC2=CC3=C(C=C2O1)OCC4(C3OC5=C4C=CC(=C5)O)O 338.40 unknown https://doi.org/10.1021/JF801905Y
https://doi.org/10.1016/0031-9422(95)00404-U
3,3-Dimethyl-3H,7H-benzofuro[3,2-c]pyrano[3,2-g][1]benzopyran-7a,10(12aH)-diol, 9CI 4640119 Click to see CC1(C=CC2=CC3=C(C=C2O1)OCC4(C3OC5=C4C=CC(=C5)O)O)C 338.40 unknown https://doi.org/10.1021/JF801905Y
https://doi.org/10.1016/0031-9422(95)00404-U
3,6,9-Trihydroxypterocarpan 4629012 Click to see C1C2(C(C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O)O 272.25 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2671905/
https://doi.org/10.1016/0031-9422(95)00404-U
CID 187147 187147 Click to see CC(C)(C1=CC2=CC3=C(C=C2O1)OCC4(C3OC5=C4C=CC(=C5)O)O)O 354.40 unknown https://doi.org/10.1016/0031-9422(95)00404-U
Glyceocarpin 10617107 Click to see CC(=CCC1=CC2=C(C=C1O)OCC3(C2OC4=C3C=CC(=C4)O)O)C 340.40 unknown https://doi.org/10.1016/0031-9422(95)00404-U
Glyceofuran 629096 Click to see CC(C)(C1=CC2=CC3=C(C=C2O1)OCC4(C3OC5=C4C=CC(=C5)O)O)O 354.40 unknown https://doi.org/10.1016/0031-9422(95)00404-U
glyceollidin II 85206973 Click to see CC(=CCC1=CC2=C(C=C1O)OCC3(C2OC4=C3C=CC(=C4)O)O)C 340.40 unknown https://doi.org/10.1021/JF991146O
https://doi.org/10.1016/0031-9422(95)00404-U
Glyceollin 162807 Click to see CC1(C=CC2=C(O1)C=CC3=C2OCC4(C3OC5=C4C=CC(=C5)O)O)C 338.40 unknown https://doi.org/10.1515/BCHM3.1986.367.2.797
https://doi.org/10.1016/S0031-9422(00)81421-1
https://doi.org/10.1021/JF801905Y
https://doi.org/10.1021/JF00012A010
https://doi.org/10.1016/0031-9422(95)00404-U
https://doi.org/10.1515/ZNC-1986-1-229
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1075809/
glyceollin II 181883 Click to see CC1(C=CC2=CC3=C(C=C2O1)OCC4(C3OC5=C4C=CC(=C5)O)O)C 338.40 unknown https://doi.org/10.1021/JF801905Y
https://doi.org/10.1016/0031-9422(95)00404-U
Glyceollin III 11954193 Click to see CC(=C)C1CC2=CC3=C(C=C2O1)OCC4(C3OC5=C4C=CC(=C5)O)O 338.40 unknown https://doi.org/10.1016/0031-9422(95)00404-U
Glyceollin IV 5317742 Click to see CC(=CCC1=CC2=C(C=C1OC)OCC3(C2OC4=C3C=CC(=C4)O)O)C 354.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2671905/
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones
5,8-Dideuterio-7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)chromen-4-one 11994876 Click to see COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O 290.30 unknown via CMAUP database
8-Prenyldaidzein 14841119 Click to see CC(=CCC1=C(C=CC2=C1OC=C(C2=O)C3=CC=C(C=C3)O)O)C 322.40 unknown via CMAUP database
CID 11777207 11777207 Click to see C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O 257.21 unknown via CMAUP database
Daidzein 5281708 Click to see C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O 254.24 unknown https://doi.org/10.1016/S0021-9673(01)87655-X
https://doi.org/10.1016/0098-8472(86)90054-7
https://doi.org/10.1021/JF801905Y
https://doi.org/10.1016/0031-9422(83)80013-2
https://doi.org/10.1016/S0021-9673(97)00989-8
https://doi.org/10.1016/0731-7085(95)01619-8
https://doi.org/10.1021/JF00123A028
https://doi.org/10.1248/CPB.33.3834
https://doi.org/10.1021/JF00063A016
https://doi.org/10.1207/S15327914NC4802_5
https://doi.org/10.1021/NP010606G
https://doi.org/10.1021/JF00044A017
https://doi.org/10.1021/JF00044A016
https://doi.org/10.1016/S0031-9422(00)82649-7
https://doi.org/10.1093/AJCN/68.6.1480S
https://doi.org/10.1016/0002-8223(94)91939-9
https://doi.org/10.1016/0098-8472(85)90006-1
https://doi.org/10.1006/JFCA.2000.0948
https://doi.org/10.1007/BF00575726
https://doi.org/10.1021/JF00110A035
https://doi.org/10.1021/NP980566P
https://doi.org/10.1080/00380768.1991.10415022
https://doi.org/10.1093/AJCN/68.6.1474S
https://doi.org/10.1021/JF00035A027
https://doi.org/10.1002/PMIC.201700366
https://doi.org/10.1016/S0731-7085(00)00264-8
Genistein 5280961 Click to see C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O 270.24 unknown https://doi.org/10.7326/0003-4819-146-12-200706190-00005
https://doi.org/10.1016/0098-8472(86)90054-7
https://doi.org/10.1021/NP070230S
https://doi.org/10.1021/JF801905Y
https://doi.org/10.1271/BBB.56.99
https://doi.org/10.1016/S0278-6915(02)00305-8
https://doi.org/10.1016/S0021-9673(97)00989-8
https://doi.org/10.1016/0731-7085(95)01619-8
https://doi.org/10.1093/AJCN/68.6.1486S
https://doi.org/10.1021/JF00123A028
https://doi.org/10.1248/CPB.33.3834
https://doi.org/10.1021/JF00063A016
https://doi.org/10.1207/S15327914NC4802_5
https://doi.org/10.1021/NP010606G
https://doi.org/10.1021/JF00044A017
https://doi.org/10.1021/JF00044A016
https://doi.org/10.1016/S0031-9422(00)82649-7
https://doi.org/10.1210/JC.2006-2295
https://doi.org/10.1093/AJCN/68.6.1480S
https://doi.org/10.1016/0002-8223(94)91939-9
https://doi.org/10.1016/0098-8472(85)90006-1
https://doi.org/10.1006/JFCA.2000.0948
https://doi.org/10.1271/BBB1961.55.2227
https://doi.org/10.1007/BF00575726
https://doi.org/10.1021/JF00110A035
https://doi.org/10.1021/NP980566P
https://doi.org/10.1080/00380768.1991.10415022
https://doi.org/10.1093/AJCN/68.6.1474S
https://doi.org/10.1021/JF00035A027
https://doi.org/10.1093/JXB/47.6.785
https://doi.org/10.1016/S0731-7085(00)00264-8
Genistein(1-) 25201420 Click to see C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)[O-])O)O 269.23 unknown via CMAUP database
Glycitein 5317750 Click to see COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O 284.26 unknown https://doi.org/10.1021/JF801905Y
https://doi.org/10.1021/NP980566P
https://doi.org/10.1021/NP010606G
https://doi.org/10.1021/JF00044A017
https://doi.org/10.1093/AJCN/68.6.1474S
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavonoid C-glycosides
5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 44257270 Click to see C1=CC(=CC=C1C2=COC3=C(C2=O)C(=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O)O 432.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavonoid O-glycosides
[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate 125181540 Click to see CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)OC)O)O)O 488.40 unknown https://doi.org/10.1271/BBB1961.55.859
[3,4,5-Trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate 53398650 Click to see CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)OC)O)O)O 488.40 unknown https://doi.org/10.1080/00021369.1991.10870668
3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 12004532 Click to see COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O 446.40 unknown https://doi.org/10.1080/00021369.1991.10870966
3-(4-hydroxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 44257214 Click to see C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O 416.40 unknown via CMAUP database
3-(4-methoxyphenyl)-7-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 44257215 Click to see COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O 430.40 unknown https://doi.org/10.1007/BF00580089
https://doi.org/10.1016/0031-9422(83)80013-2
3-(4-Methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 3733033 Click to see COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O 430.40 unknown https://doi.org/10.1007/BF00580089
3-Oxo-3-[[3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid 92024097 Click to see COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O 532.40 unknown https://doi.org/10.1080/00021369.1991.10870966
https://doi.org/10.1021/JF801905Y
4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)- 4183640 Click to see C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O 416.40 unknown https://doi.org/10.1002/JLAC.19314890110
https://doi.org/10.1080/00021369.1991.10870966
https://doi.org/10.1007/BF00580089
6''-O-Acetyldaidzin 156155 Click to see CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)O)O)O)O 458.40 unknown https://doi.org/10.1271/BBB1961.55.859
https://doi.org/10.1021/JF00044A017
https://doi.org/10.1021/JF00044A016
https://doi.org/10.1093/AJCN/68.6.1486S
https://doi.org/10.1271/BBB1961.55.2227
https://doi.org/10.1002/PMIC.201700366
https://doi.org/10.1021/JF00063A016
https://doi.org/10.1248/BPB.22.1193
6''-O-Acetylgenistin 5315831 Click to see CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O)O)O)O 474.40 unknown https://doi.org/10.1271/BBB1961.55.859
https://doi.org/10.1021/JF00044A017
https://doi.org/10.1021/JF00044A016
https://doi.org/10.1093/AJCN/68.6.1486S
https://doi.org/10.1271/BBB1961.55.2227
https://doi.org/10.1021/JF00063A016
https://doi.org/10.1248/BPB.22.1193
6''-O-Acetylglycitin 10228095 Click to see CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)OC)O)O)O 488.40 unknown https://doi.org/10.1016/0731-7085(95)01619-8
https://doi.org/10.1080/00021369.1991.10870668
https://doi.org/10.1021/JF00044A017
https://doi.org/10.1248/BPB.22.1193
https://doi.org/10.1271/BBB1961.55.2227
https://doi.org/10.1021/JF00044A016
6''-O-Malonyldaidzin 14500869 Click to see C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O 502.40 unknown https://doi.org/10.1080/00021369.1991.10870966
https://doi.org/10.1021/JF801905Y
6''-O-Malonylgenistin 131750882 Click to see C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O 518.40 unknown https://doi.org/10.1080/00021369.1991.10870966
https://doi.org/10.1021/JF00044A017
https://doi.org/10.1021/JF00044A016
https://doi.org/10.1093/AJCN/68.6.1486S
https://doi.org/10.1271/BBB1961.55.2227
https://doi.org/10.1021/JF801905Y
https://doi.org/10.1248/BPB.22.1193
6''-O-Malonylglycitin 23724657 Click to see COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O 532.40 unknown https://doi.org/10.1080/00021369.1991.10870966
https://doi.org/10.1021/JF00044A017
https://doi.org/10.1021/JF00044A016
https://doi.org/10.1016/0731-7085(95)01619-8
https://doi.org/10.1093/AJCN/68.6.1486S
https://doi.org/10.1271/BBB1961.55.2227
https://doi.org/10.1093/AJCN/68.6.1480S
https://doi.org/10.1021/JF801905Y
https://doi.org/10.1248/BPB.22.1193
Acetyl daidzin 102028680 Click to see COCC1C(C(C(C(O1)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)O)O)O)O 430.40 unknown https://doi.org/10.1016/0731-7085(95)01619-8
https://doi.org/10.1093/AJCN/68.6.1474S
Acetylgenistin 129650960 Click to see CC(=O)C1=C(C(=O)C2=C(C=C(C=C2O1)OC3C(C(C(C(O3)CO)O)O)O)O)C4=CC=C(C=C4)O 474.40 unknown https://doi.org/10.1016/0731-7085(95)01619-8
https://doi.org/10.1093/AJCN/68.6.1474S
Daidzin 107971 Click to see C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O 416.40 unknown https://doi.org/10.1271/BBB1961.55.859
https://doi.org/10.1016/S0731-7085(00)00264-8
https://doi.org/10.1021/NP010606G
https://doi.org/10.1016/0031-9422(83)80013-2
https://doi.org/10.1016/S0021-9673(01)87656-1
https://doi.org/10.1021/JF00044A017
https://doi.org/10.1021/JF00044A016
https://doi.org/10.1007/BF00570693
https://doi.org/10.1021/NP980566P
https://doi.org/10.1093/AJCN/68.6.1474S
https://doi.org/10.1248/CPB.33.3834
https://doi.org/10.1021/JF00048A013
https://doi.org/10.1007/BF00580089
https://doi.org/10.1002/JLAC.19314890110
https://doi.org/10.1021/JF00035A027
https://doi.org/10.1021/JF00063A016
https://doi.org/10.1002/PMIC.201700366
https://doi.org/10.1021/JF00123A028
https://doi.org/10.1271/BBB1961.55.2227
https://doi.org/10.1080/00021369.1991.10870966
https://doi.org/10.1016/S0031-9422(00)82649-7
https://doi.org/10.1016/0731-7085(95)01619-8
https://doi.org/10.1248/BPB.22.1193
https://doi.org/10.1271/BBB.56.99
https://doi.org/10.1021/JF00110A035
https://doi.org/10.1093/AJCN/68.6.1480S
https://doi.org/10.1093/AJCN/68.6.1486S
Dihydrodaidzin 10341941 Click to see C1C(C(=O)C2=C(O1)C=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O 418.40 unknown https://doi.org/10.1021/NP010606G
Dihydrogenistin 11070108 Click to see C1C(C(=O)C2=C(C=C(C=C2O1)OC3C(C(C(C(O3)CO)O)O)O)O)C4=CC=C(C=C4)O 434.40 unknown https://doi.org/10.1021/NP010606G
Genistein 7-O-beta-D-glucoside 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/10.1007/BF00580089
https://doi.org/10.1021/JF801905Y
https://doi.org/10.1055/S-2002-32545
https://doi.org/10.1080/00021369.1991.10870966
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/10.1271/BBB1961.55.859
https://doi.org/10.1021/NP010606G
https://doi.org/10.1016/0031-9422(83)80013-2
https://doi.org/10.1016/S0021-9673(01)87656-1
https://doi.org/10.1021/JF00044A017
https://doi.org/10.1021/JF00044A016
https://doi.org/10.1007/BF00570693
https://doi.org/10.1021/NP980566P
https://doi.org/10.1093/AJCN/68.6.1474S
https://doi.org/10.1248/CPB.33.3834
https://doi.org/10.1021/JF00048A013
https://doi.org/10.1007/BF00580089
https://doi.org/10.1055/S-2002-32545
https://doi.org/10.1021/JF00035A027
https://doi.org/10.1021/JF00063A016
https://doi.org/10.1021/JF00123A028
https://doi.org/10.1080/00021369.1991.10870966
https://doi.org/10.1016/S0031-9422(00)82649-7
https://doi.org/10.1021/JF801905Y
https://doi.org/10.1016/0731-7085(95)01619-8
https://doi.org/10.1248/BPB.22.1193
https://doi.org/10.1021/JF00110A035
https://doi.org/10.1271/BBB.56.99
https://doi.org/10.1093/AJCN/68.6.1480S
https://doi.org/10.1093/AJCN/68.6.1486S
Genistin 6''-O-acetate 22288010 Click to see CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O)O)O)O 474.40 unknown via CMAUP database
Glycitin 187808 Click to see COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O 446.40 unknown https://doi.org/10.1093/AJCN/68.6.1480S
https://doi.org/10.1093/AJCN/68.6.1486S
https://doi.org/10.1080/00021369.1991.10870966
https://doi.org/10.1016/0731-7085(95)01619-8
https://doi.org/10.1271/BBB1961.55.2227
https://doi.org/10.1248/BPB.22.1193
https://doi.org/10.1021/NP010606G
https://doi.org/10.1021/JF00044A017
https://doi.org/10.1021/JF00044A016
https://doi.org/10.1093/AJCN/68.6.1474S
Malonyldaidzin 9913968 Click to see C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O 502.40 unknown https://doi.org/10.1080/00021369.1991.10870966
https://doi.org/10.1021/JF00044A017
https://doi.org/10.1021/JF00044A016
https://doi.org/10.1016/0731-7085(95)01619-8
https://doi.org/10.1093/AJCN/68.6.1486S
https://doi.org/10.1271/BBB1961.55.2227
https://doi.org/10.1093/AJCN/68.6.1480S
https://doi.org/10.1021/JF801905Y
https://doi.org/10.1093/AJCN/68.6.1474S
https://doi.org/10.1002/PMIC.201700366
https://doi.org/10.1248/BPB.22.1193
Malonylgenistin 15934091 Click to see C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O 518.40 unknown https://doi.org/10.1080/00021369.1991.10870966
https://doi.org/10.1016/0731-7085(95)01619-8
https://doi.org/10.1093/AJCN/68.6.1480S
https://doi.org/10.1021/JF801905Y
https://doi.org/10.1016/S0031-9422(03)00379-0
https://doi.org/10.1093/AJCN/68.6.1474S
https://doi.org/10.1002/PMIC.201700366
Ononin 442813 Click to see COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O 430.40 unknown https://doi.org/10.1007/BF00580089
https://doi.org/10.1016/0031-9422(83)80013-2
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids / 4-O-methylisoflavones
Afrormosin 5281704 Click to see COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)O 298.29 unknown https://doi.org/10.1021/NP50048A030
Biochanin A 5280373 Click to see COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O 284.26 unknown https://doi.org/10.1021/NP010606G
https://doi.org/10.1016/S0021-9673(97)00989-8
biochanin A(1-) 25203224 Click to see COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)[O-])O 283.25 unknown via CMAUP database
Formononetin 5280378 Click to see COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O 268.26 unknown https://doi.org/10.1016/0031-9422(83)80013-2
https://doi.org/10.1007/BF00575726
https://doi.org/10.1021/NP980566P
https://doi.org/10.1002/PMIC.201700366
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / 2-Hydroxychalcones
Trihydroxychalcone 638278 Click to see C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O 256.25 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC195661/
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
2-[6-[[(1R,19R,21S,22R,23R)-6,7,8,11,12,13,22-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-23-yl]oxycarbonyl]-2,3,4-trihydroxyphenyl]-3,4,5-trihydroxybenzoic acid 23258819 Click to see C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O)O)O)O)O)O)O 954.70 unknown https://doi.org/10.1021/JO00275A026

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