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Medicago sativa

Medicago sativa - Unknown
Part: Unknown
Author: Public Domain - WikiMedia
Medicago sativa - 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 UUID643fdf00e64dd901048703
Scientific name Medicago sativa
Authority L.
First published in Sp. Pl.: 778 (1753)

Description Top

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No description added yet. Help us by writing one.

Synonyms Top

Scientific name Authority First published in
Medica sativa Lam. Fl. Franç. (Lamarck) 2: 584. 1779 [1778 publ. after 21 Mar 1779]
Medicago praesativa subsp. spontanea Sinskaya
Medica sativa (L.) Mill. Gard. Dict. ed. 8: n.° 1 (1768)

Common names Top

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Language Common/alternative name
English lucerne
English alfalfa
Spanish alfalfa
Spanish carretón
Spanish mielga
Spanish probayernos
Spanish afalfe
Spanish afarfa
Spanish alfal
Spanish alfalce
Spanish alfalce bordo
Spanish alfalfa brava
Spanish alfalfa mansa
Spanish alfalfa silvestre
Spanish alfalfe
Spanish alfalz
Spanish alfance
Spanish alfange
Spanish alfarfa
Spanish alfás
Spanish alfauce
Spanish alfaz
Spanish alholva
Spanish almierca
Spanish amelca
Spanish amielcas
Spanish arfarfa
Spanish carretón borde
Spanish ervaye
Spanish falfa
Spanish farfa
Spanish melga
Spanish miajera
Spanish mielca
Spanish mielcón
Spanish mielgas
Spanish mierga
Spanish miergas
Spanish mierpes
Spanish nielga
Spanish trébol de españa
Spanish trebolillo
Spanish zarza
Spanish trigonella upendrae
Spanish mielcon
Afrikaans lusern
an alfaz
an alfalz
Arabic ألفاألفا
Arabic ألفالفا
Arabic الفصفصة
Arabic فصفصة
Arabic الفصة
Arabic برسيم حجازي
Arabic فصة معمرة
Arabic قضب
Arabic أسبست
Arabic أسفَست
Arabic أنفال
Arabic ذو ثلاث ورقات
Arabic فصافص
Arabic قَتْ
Arabic قَرط
azb مدیکاقو ساتیوا
Belarusian Люцэрна сіняя
Bulgarian люцерна
Bulgarian посевна люцерна
Bulgarian обикновена люцерна
Catalan alfalç
Catalan alfals
Catalan userda
chy otá'tavö'êstse
Czech alfalfa
Czech tolice vojtěška
Czech vojtěška
Danish lucerne
Danish alfalfa
German luzerne
German saat-luzerne
Greek Μηδική
eml Èrba mèdga (medicago sativa)
Esperanto luzerno
Estonian taevasinine lutsern
Estonian harilik lutsern
Basque argi-belar
Persian اسپست
Persian یونجه
Finnish alfalfa
Finnish luserni
Finnish sinimailanen
French alfalfa
French luzerne
French luzerne commune
French luzerne cultivee
French luzerne cultivée
Gujarati રજકો
Manx alfalfey
Hebrew אלפלפה
Hebrew אספסת תרבותית
Hindi अल्फाल्फा
Upper Sorbian lucerna
Upper Sorbian módra šlinčina
Hungarian takarmánylucerna
Armenian առվույտ
Indonesian alfalfa
io luzerno
Icelandic lúserna
Icelandic refasmári
Italian erba medica
Italian erba spagna
Italian medica
Japanese アルファルファ
Japanese ムラサキウマゴヤシ
Japanese 紫馬肥
Georgian იონჯა
Kazakh Ақсары жоңышқа
Kannada ಆಲ್ಫಾಲ್ಫ
Korean 알팔파
Korean 자주개자리
la medica
Lithuanian sėjamoji liucerna
Latvian sējas lucerna
Macedonian Луцерка
Macedonian луцерка
Malayalam അൽഫാൽഫ
mn Таримал царгас
Malay alfalfa
Burmese အယ်လဖားဖားပင်
Norwegian Bokmål alfalfa
Norwegian Bokmål blålusern
Norwegian Bokmål lusern
Nepali लुर्सन घाँस
Dutch alfalfa
Dutch luzerne
Dutch luzerneklaver
Dutch luzernescheuten
nv tłʼoh waaʼí
Punjabi ਲੂਸਣ
Polish alfalfa
Polish lucerna siewna
Punjab لوسن
Punjab لوسݨ
Pashto رشقه
Portuguese alfafa
Portuguese luzerna
Romanian lucernă
Russian Люцерна посевная
Serbo-Croatian lucerna
Slovak lucerna siata
Slovenian lucerna
Slovenian nemška detelja
Slovenian alfalfa
Slovenian prava meteljka
Albanian jonxhë
Serbian Луцерка
Serbian alfalafa
Swedish gullusern
Swedish alfalfa
Swedish alfalfafrö
Swedish blålusern
Swedish blåluzern
Swedish lusern
Tamil குதிரை மசால்
Telugu అల్ఫాల్ఫా
tg Ришқаи боғӣ
Thai ถั่วอัลฟัลฟา
Thai แอลแฟลฟา
Turkish alfalfa
Turkish kaba yonca
Turkish Şark yoncası
Turkish yonca
Turkish yoncagl
tyv Дүжер-меде тарымал
ug بېدە ئۇرۇقى
Ukrainian Люцерна посівна
Ukrainian люцерна посівна
Urdu لوسن، الفصفصة، فصفصة نبات، فصة
Urdu برسیم
vec spanja
Vietnamese cỏ linh lăng
Walloon advalfa
Walloon luzere
Chinese 苜蓿
Chinese 牧蓿
Chinese 紫花苜蓿
Chinese 紫苜蓿
Chinese 紫苜蓿（紫花苜蓿）
Chinese 苗蓿
Chinese 苜蓿子
Chinese 路蒸

Subspecies (abbr. subsp./ssp.) Top

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Name Authority First published in
Medicago sativa subsp. faurei Maire Bull. Soc. Hist. Nat. Afrique N.24: 208 (1932)
Medicago sativa subsp. glomerata (Balb.) Rouy G.Rouy & J.Foucaud, Fl. France5: 14 (1899)
Medicago sativa subsp. sativa Unknown

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-0000213468
UNII DJO934BRBD
Florida Plant Atlas 1926
Flora of Alabama 2015
Canadensys 5835
USDA Plants MESA
Tropicos 13035689
INPN 107711
Flora of Italy 2568
KEW urn:lsid:ipni.org:names:30234961-2
The Plant List ild-8536
Open Tree Of Life 1086789
Observations.org 7045
NCBI Taxonomy 3879
NBN Atlas NBNSYS0000013971
Nature Serve 2.143614
IUCN Red List 174725
IPNI 506409-1
iNaturalist 57070
iNaturalist 57057
GBIF 2965324
Freebase /m/0hhpg
WisFlora 4213
FEIS plants/forb/medsat
EPPO MEDSA
EOL 703652
Elurikkus 5668
Calflora (Californian flora) 5387
US Library of Congress sh85003383
USDA GRIN 23676
Wikipedia Alfalfa
CMAUP NPO18321
PFAF Medicago sativa
GBIF 9151957

Genomes (via NCBI) Top

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

Scientific Literature Top

Below are displayed the latest 15 articles published in PMC (PubMed Central®) and other sources (DOI number only)!
If you wish to see all the related articles click here.
Title Authors Publication Released IDs
Integrated multi-omic approach reveals the effect of a Graminaceae-derived biostimulant and its lighter fraction on salt-stressed lettuce plants Monterisi S, Zhang L, Garcia-Perez P, Alzate Zuluaga MY, Ciriello M, El-Nakhel C, Buffagni V, Cardarelli M, Colla G, Rouphael Y, Cesco S, Lucini L, Pii Y Sci Rep 10-May-2024
PMCID:PMC11087557
doi:10.1038/s41598-024-61576-4
PMID:38729985
Novel PHOTOPERIOD-1 gene variants associate with yield-related and root-angle traits in European bread wheat Makhoul M, Schlichtermann RH, Ugwuanyi S, Weber SE, Voss-Fels KP, Stahl A, Zetzsche H, Wittkop B, Snowdon RJ, Obermeier C Theor Appl Genet 10-May-2024
PMCID:PMC11087350
doi:10.1007/s00122-024-04634-9
PMID:38727862
Accession-specific parent-of-origin dependent and independent genome dosage effects on salt tolerance in Arabidopsis thaliana Hallahan BF, Quiroz LF, Brychkova G, McKeown PC, Spillane C R Soc Open Sci 08-May-2024
PMCID:PMC11076124
doi:10.1098/rsos.231766
PMID:38721127
Study of medicinal plants used in ethnoveterinary medical system in riverine areas of Punjab, Pakistan Umair M, Altaf M, Ahsan T, Bussmann RW, Abbasi AM, Gatasheh MK, Elrobh M J Ethnobiol Ethnomed 07-May-2024
PMCID:PMC11077875
doi:10.1186/s13002-024-00686-9
PMID:38715115
Comparative analysis of POD genes and their expression under multiple hormones in Pyrus bretschenedri Li G, Manzoor MA, Wang G, Huang S, Ding X, Abdullah M, Zhang M, Song C BMC Genom Data 06-May-2024
PMCID:PMC11075270
doi:10.1186/s12863-024-01229-7
PMID:38711007
Molecular Mechanisms of CBL-CIPK Signaling Pathway in Plant Abiotic Stress Tolerance and Hormone Crosstalk Kaya C, Uğurlar F, Adamakis ID Int J Mol Sci 06-May-2024
PMCID:PMC11084290
doi:10.3390/ijms25095043
PMID:38732261
Chromosome-level genome assembly of Odontothrips loti Haliday (Thysanoptera: Thripidae) Yingning L, Shuhua W, Wenting D, Miao M, Ying W, Rong Z, Liping B Sci Data 04-May-2024
PMCID:PMC11069530
doi:10.1038/s41597-024-03289-x
PMID:38704405
Application of Developmental Regulators for Enhancing Plant Regeneration and Genetic Transformation Xu P, Zhong Y, Xu A, Liu B, Zhang Y, Zhao A, Yang X, Ming M, Cao F, Fu F Plants (Basel) 04-May-2024
PMCID:PMC11085514
doi:10.3390/plants13091272
PMID:38732487
Unleashing the promise of emerging nanomaterials as a sustainable platform to mitigate antimicrobial resistance Rahman S, Sadaf S, Hoque ME, Mishra A, Mubarak NM, Malafaia G, Singh J RSC Adv 01-May-2024
PMCID:PMC11062400
doi:10.1039/d3ra05816f
PMID:38694553
Metabolomic profiling of Medicago sativa-derived fungal endophytes and evaluation of their biological activities El Amir D, Sayed AM, El-Hawary SS, Elsakhawy OM, Attia EZ, Abdelmohsen UR, Mohammed R RSC Adv 30-Apr-2024
PMCID:PMC11059938
doi:10.1039/d4ra00790e
PMID:38690109
Multilocus Gene Analyses Indicate Tamarix aphylla as Reservoir Host of Diverse Phytoplasmas Associated with Witches’ Broom and Yellowing Symptomatology Esmaeilzadeh-Hosseini SA, Babaei G, Pacini F, Bertaccini A Plants (Basel) 30-Apr-2024
PMCID:PMC11085372
doi:10.3390/plants13091248
PMID:38732463
Overexpression of MsDREB1C Modulates Growth and Improves Forage Quality in Tetraploid Alfalfa (Medicago sativa L.) Zhang Y, Wang Z, Zhang F, Wang X, Li Y, Long R, Li M, Li X, Wang Q, Yang Q, Kang J Plants (Basel) 29-Apr-2024
PMCID:PMC11085332
doi:10.3390/plants13091237
PMID:38732451
Allelopathy and potential allelochemicals of Ligularia sagitta as an invasive plant Wang S, Wang C, Zhang J, Jiang K, Nian F Plant Signal Behav 28-Apr-2024
PMCID:PMC11057658
doi:10.1080/15592324.2024.2335025
PMID:38678583
Updating risk remediation-endpoints for petroleum-contaminated soils? A case study in the Ecuadorian Amazon region Hidalgo-Lasso D, García-Villacís K, Urvina Ulloa J, Marín Tapia D, Gómez Ortega P, Coulon F Heliyon 27-Apr-2024
PMCID:PMC11076972
doi:10.1016/j.heliyon.2024.e30395
PMID:38720749
LC-MS/MS profiling of Tipuana tipu flower, HPLC-DAD quantification of its bioactive components, and interrelationships with antioxidant, and anti-inflammatory activity: in vitro and in silico approaches Ibrahim RM, Abdel-Baki PM, El-Rashedy AA, Mahdy NE BMC Complement Med Ther 26-Apr-2024
PMCID:PMC11055345
doi:10.1186/s12906-024-04467-5
PMID:38671392

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://www.ncbi.nlm.nih.gov/pmc/articles/PMC1080658/
> Benzenoids / Anthracenes / Anthraquinones / Hydroxyanthraquinones
Lucidin 10163 Click to see C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)CO)O 270.24 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives
Phenylethyl Alcohol 6054 Click to see C1=CC=C(C=C1)CCO 122.16 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
(2R,3S)-2-benzoyloxy-3-hydroxybutanedioic acid 92469118 Click to see C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)O)C(=O)O 254.19 unknown https://doi.org/10.1271/BBB1961.41.2427
Benzoyl meso-tartaric acid 13708642 Click to see C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)O)C(=O)O 254.19 unknown https://doi.org/10.1271/BBB1961.41.2427
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
Benzaldehyde 240 Click to see C1=CC=C(C=C1)C=O 106.12 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
> Benzenoids / Benzene and substituted derivatives / Benzyl alcohols
Benzyl Alcohol 244 Click to see C1=CC=C(C=C1)CO 108.14 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
> Benzenoids / Phenanthrenes and derivatives / Hydrophenanthrenes
[(2S,4aR,7Z)-1,1,4a,8-tetramethyl-7-[3-(methylamino)propanoyloxymethylidene]-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-2-yl] 3-hydroxy-3-methylbutanoate 5316123 Click to see CC1C2C(CCC1=COC(=O)CCNC)C3(CCC(C(C3CC2=O)(C)C)OC(=O)CC(C)(C)O)C 491.70 unknown via CMAUP database
> Benzenoids / Phenols / Methoxyphenols
4-Hydroxy-3-methoxycinnamaldehyde 5280536 Click to see COC1=C(C=CC(=C1)C=CC=O)O 178.18 unknown https://doi.org/10.1016/S0031-9422(02)00375-8
> Hydrocarbons / Saturated hydrocarbons / Alkanes / Branched alkanes
3-Methylnonane 22202 Click to see CCCCCCC(C)CC 142.28 unknown via CMAUP database
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 7,7-epoxylignans
Saucernetin 443018 Click to see CC1C(C(OC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC)C 372.50 unknown via CMAUP database
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 9,9-epoxylignans / Dibenzylbutyrolactone lignans
Suchilactone 10915582 Click to see COC1=C(C=C(C=C1)CC2COC(=O)C2=CC3=CC4=C(C=C3)OCO4)OC 368.40 unknown via CMAUP database
> Lignans, neolignans and related compounds / Lignan glycosides
(2S,3R,4S,5S,6R)-2-[4-[1,3-Dihydroxy-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 11972318 Click to see COC1=CC(=CC(=C1OC(CO)C(C2=CC(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)OC)O)OC)C=CCO 568.60 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
cis-3-Hexenyl butyrate 5352438 Click to see CCCC(=O)OCCC=CCC 170.25 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters
5-Methoxy-5-oxopentanoic acid 73917 Click to see COC(=O)CCCC(=O)O 146.14 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Branched fatty acids
Itaconic acid 811 Click to see C=C(CC(=O)O)C(=O)O 130.10 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Hydroxy fatty acids
Meglutol 1662 Click to see CC(CC(=O)O)(CC(=O)O)O 162.14 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
13-Methyltetradecanoic acid 151014 Click to see CC(C)CCCCCCCCCCCC(=O)O 242.40 unknown https://doi.org/10.1016/S0031-9422(00)88688-4
14-Methylpentadecanoic acid 36247 Click to see CC(C)CCCCCCCCCCCCC(=O)O 256.42 unknown https://doi.org/10.1016/S0031-9422(00)88688-4
Oleic Acid 445639 Click to see CCCCCCCCC=CCCCCCCCC(=O)O 282.50 unknown https://doi.org/10.1016/S0031-9422(00)88688-4
Palmitic Acid 985 Click to see CCCCCCCCCCCCCCCC(=O)O 256.42 unknown https://doi.org/10.1016/S0031-9422(00)88688-4
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
Caproic Acid 8892 Click to see CCCCCC(=O)O 116.16 unknown https://doi.org/10.1016/S0031-9422(00)88688-4
Lauric Acid 3893 Click to see CCCCCCCCCCCC(=O)O 200.32 unknown https://doi.org/10.1016/S0031-9422(00)88688-4
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
(2R,3R,4R,5R)-5,6-dihydroxy-2,3,4-trimethoxyhexanal 163011700 Click to see COC(C=O)C(C(C(CO)O)OC)OC 222.24 unknown https://doi.org/10.1039/JR9610004215
(2R,3S,4S,5R)-2,4,5,6-Tetrahydroxy-3-methoxyhexanal 55250310 Click to see COC(C(C=O)O)C(C(CO)O)O 194.18 unknown https://doi.org/10.1039/JR9610004215
(3R,5E)-octa-1,5-dien-3-ol 87509936 Click to see CCC=CCC(C=C)O 126.20 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
(3R)-oct-1-en-3-ol 6992244 Click to see CCCCCC(C=C)O 128.21 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
1-Hexanol 8103 Click to see CCCCCCO 102.17 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
1-Octanol 957 Click to see CCCCCCCCO 130.23 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
1-Octen-3-Ol 18827 Click to see CCCCCC(C=C)O 128.21 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
2-O-Methyl-D-mannopyranosa 560150 Click to see COC(C=O)C(C(C(CO)O)O)O 194.18 unknown https://doi.org/10.1039/JR9610004215
2-O-Methylgalactose 21117001 Click to see COC(C=O)C(C(C(CO)O)O)O 194.18 unknown https://doi.org/10.1039/JR9610004215
2,3,4-Tri-O-methylhexose 538775 Click to see COC(C=O)C(C(C(CO)O)OC)OC 222.24 unknown https://doi.org/10.1039/JR9610004215
2,4,5,6-Tetrahydroxy-3-methoxyhexanal 298225 Click to see COC(C(C=O)O)C(C(CO)O)O 194.18 unknown https://doi.org/10.1039/JR9610004215
3-Hexen-1-ol 10993 Click to see CCC=CCCO 100.16 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
cis-3-Hexen-1-ol 5281167 Click to see CCC=CCCO 100.16 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
Oct-1,5-dien-3-ol 205986 Click to see CCC=CCC(C=C)O 126.20 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
Methyl linoleate 5284421 Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC 294.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Lipids and lipid-like molecules / Glycerolipids / Monoradylglycerols / Monoacylglycerols / 2-monoacylglycerols
2-Monoolein 5319879 Click to see CCCCCCCCC=CCCCCCCCC(=O)OC(CO)CO 356.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Lipids and lipid-like molecules / Glycerophospholipids / Glycerophosphates
sn-Glycerol 3-phosphate 439162 Click to see C(C(COP(=O)(O)O)O)O 172.07 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / C19-gibberellins / C19-gibberellin 6-carboxylic acids
(9S)-5-hydroxy-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9,11-dicarboxylic acid 5315653 Click to see C=C1CC23CC1(CCC2C45CCCC(C4C3C(=O)O)(C(=O)O5)C(=O)O)O 362.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
Geraniol 637566 Click to see CC(=CCCC(=CCO)C)C 154.25 unknown https://doi.org/10.1021/JF00043A019
Linalool, (-)- 443158 Click to see CC(=CCCC(C)(C=C)O)C 154.25 unknown via CMAUP database
Linalool, (+)- 67179 Click to see CC(=CCCC(C)(C=C)O)C 154.25 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
Linalool, (+/-)- 6549 Click to see CC(=CCCC(C)(C=C)O)C 154.25 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
Myrcene 31253 Click to see CC(=CCCC(=C)C=C)C 136.23 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
Limonene, (+)- 440917 Click to see CC1=CCC(CC1)C(=C)C 136.23 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
Limonene, (+/-)- 22311 Click to see CC1=CCC(CC1)C(=C)C 136.23 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
1,3,3-trimethyl-2-[(1E,3E,7E,15E,18E)-3,7,12,16-tetramethyl-18-(2,2,6-trimethylcyclohexylidene)octadeca-1,3,7,15-tetraen-5,9,13-triynyl]cyclohexene 51035411 Click to see CC1CCCC(C1=CCC(=CC#CC(C)CC#CC=C(C)C#CC=C(C)C=CC2=C(CCCC2(C)C)C)C)(C)C 534.90 unknown via CMAUP database
beta-Ionone 638014 Click to see CC1=C(C(CCC1)(C)C)C=CC(=O)C 192.30 unknown https://doi.org/10.1021/JF00043A019
> Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids / Scalarane sesterterpenoids
(3S,14bR)-8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol 5319977 Click to see CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)CO)C 442.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
(2R,3R,4R,5S,6S)-6-[[(3R,4R,6aS,6bR,8aS,12aR,14bS)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid 133562205 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8=O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O 941.10 unknown https://doi.org/10.1248/YAKUSHI1947.108.6_547
https://doi.org/10.1021/JF9901237
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid 13732717 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)C2C1)C)C(=O)O)C 664.80 unknown https://doi.org/10.1007/BF00574328
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid 21768763 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C 827.00 unknown https://doi.org/10.1007/BF00574328
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-[(2R,3R,4S,5S,6R)-3-[(2S,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]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid 101151202 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4C(CC5(C(C4(C)C(=O)O)CCC6(C5CC=C7C6(CCC8(C7CC(CC8)(C)C)C(=O)O)C)C)C)O)CO)O)O)CO)O)O)O)O)O 973.10 unknown https://doi.org/10.1021/JF9901237
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,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-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid 163187662 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O)C 1151.20 unknown https://doi.org/10.1021/JF9901237
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,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-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8a-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid 163192191 Click to see CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)C)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)C)C)(C)C)O)O)O)O)OC1C(C(C(CO1)O)O)O 1399.50 unknown https://doi.org/10.1021/JF9901237
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid 102058351 Click to see CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(OC4OC5C(CC6(C(C5(C)C(=O)O)CCC7(C6CC=C8C7(CCC9(C8CC(CC9)(C)C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C)C)C)O)CO)O)O)CO)O)O)O)O 1297.40 unknown https://doi.org/10.1007/BF00607538
https://doi.org/10.1007/BF00599263
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2R,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid 162928629 Click to see CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)C)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)O)O 1075.20 unknown https://doi.org/10.1007/BF00574328
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid 162881906 Click to see CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)C)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)C(=O)OC)O)O)O)O)C)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)O)O 1103.20 unknown https://doi.org/10.1021/JF9901237
(2S,3S,4S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid 163048429 Click to see CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(OC4OC5C(CC6(C(C5(C)C(=O)O)CCC7(C6CC=C8C7(CCC9(C8CC(CC9)(C)C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C)C)C)O)CO)O)O)CO)O)O)O)O 1297.40 unknown https://doi.org/10.1007/BF00574328
(2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-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 162905158 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C 989.10 unknown https://doi.org/10.1021/JF9901237
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,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]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 13326387 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/YAKUSHI1947.108.6_547
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-10-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-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,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid 101192452 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)OC9C(C(C(C(O9)C)O)O)O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O 1105.30 unknown https://doi.org/10.1021/JF9901237
(3S,4S,4aR,6aR,6aR,6bR,8aS,12aR,14aR,14bR)-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-4,8a-dicarboxylic acid 162898109 Click to see CC1(CCC2(CCC3(C(C2C1)CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)O)C)C)C)C(=O)O)C 975.10 unknown https://doi.org/10.1016/S0031-9422(00)97226-1
28-[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-L-arabinopyranosyl] (2beta,3beta,4alpha)-3-(beta-D-glucopyranosyloxy)-2-hydroxyolean-12-ene-23,28-dioate 101835360 Click to see CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)C)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)O)O)O)O)O 943.10 unknown https://doi.org/10.1007/BF00607538
3-[3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid 163072594 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4C(CC5(C(C4(C)C(=O)O)CCC6(C5CC=C7C6(CCC8(C7CC(CC8)(C)C)C(=O)O)C)C)C)O)CO)O)O)CO)O)O)O)O)O 973.10 unknown https://doi.org/10.1021/JF9901237
3-[3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid 162932852 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O)C 1151.20 unknown https://doi.org/10.1021/JF9901237
3-[3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8a-[3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid 133052668 Click to see CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)C)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)C)C)(C)C)O)O)O)O)OC1C(C(C(CO1)O)O)O 1399.50 unknown https://doi.org/10.1021/JF9901237
3-[3,5-Dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-4,8a-dicarboxylic acid 162898108 Click to see CC1(CCC2(CCC3(C(C2C1)CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)O)C)C)C)C(=O)O)C 975.10 unknown https://doi.org/10.1016/S0031-9422(00)97226-1
3-Glc, 28-Glc medicagenic acid 495195 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C 827.00 unknown https://doi.org/10.1007/BF00607538
https://doi.org/10.1007/BF00574328
https://doi.org/10.1007/BF00599263
3,4-Dihydroxy-6-[[2-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid 162905157 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C 989.10 unknown https://doi.org/10.1021/JF9901237
5-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-10-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-2-carboxylic acid 78117403 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)OC9C(C(C(C(O9)C)O)O)O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O 1105.30 unknown https://doi.org/10.1021/JF9901237
8a-[3-[3,4-Dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-(3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl)oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid 162881905 Click to see CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)C)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)C(=O)OC)O)O)O)O)C)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)O)O 1103.20 unknown https://doi.org/10.1021/JF9901237
beta-D-Glucopyranosiduronic acid, (3beta,4beta,22beta)-22,23-dihydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-O-beta-D-galactopyranosyl-(1-->2)-O-beta-D-glucopyranosyl-(1-->2)- 21630097 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4C(C(C(OC4OC5CCC6(C(C5(C)CO)CCC7(C6CC=C8C7(CCC9(C8CC(CC9O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)CO)O)O)O)O)O 1105.30 unknown https://doi.org/10.1007/BF00574328
beta-D-Glucopyranosyl (3beta,4alpha)-3-[(O-alpha-L-arabinopyranosyl-(1-->2)-O-beta-D-glucopyranosyl-(1-->2)-alpha-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oate 101726449 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(CO8)O)O)O)C)C)C2C1)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O)C 1061.20 unknown https://doi.org/10.1007/BF00574328
I(2)-D-Glucopyranosyl (3I(2),4I+/-)-3-[(2-O-I(2)-D-glucopyranosyl-I+/--L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oate 101623722 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C 929.10 unknown https://doi.org/10.1007/BF00574328
Medicagenic acid 3-O-beta-D-glucopyranoside 162084 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)C2C1)C)C(=O)O)C 664.80 unknown https://doi.org/10.1021/JF00099A006
https://doi.org/10.1021/JF9901237
https://doi.org/10.1007/BF00574328
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC180536/
Medicagenic acid-3-O-glucopyranoside 13732714 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)C2C1)C)C(=O)O)C 664.80 unknown https://doi.org/10.1021/JF00072A007
https://doi.org/10.1007/BF00574328
Medicoside E 14101174 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(CO6)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C 929.10 unknown https://doi.org/10.1007/BF00630211
https://doi.org/10.1007/BF00574328
Medicoside F 131752993 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C 929.10 unknown https://doi.org/10.1007/BF00630211
https://doi.org/10.1007/BF00574328
Medicoside I 74177087 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(CO8)O)O)O)C)C)C2C1)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O)C 1061.20 unknown https://doi.org/10.1007/BF00607538
https://doi.org/10.1007/BF00574328
https://doi.org/10.1007/BF00599263
Medicoside J 14779974 Click to see CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)C)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)O)O 1075.20 unknown https://doi.org/10.1007/BF00574328
https://doi.org/10.1007/BF00599264
https://doi.org/10.1007/BF00599263
Medinoside E 73814680 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4C(C(C(OC4OC5CCC6(C(C5(C)CO)CCC7(C6CC=C8C7(CCC9(C8CC(CC9O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)CO)O)O)O)O)O 1105.30 unknown https://doi.org/10.1007/BF00630212
https://doi.org/10.1007/BF00574328
Olean-12-en-28-oic acid, 3-[(3-O-beta-D-glucopyranosyl-beta-D-xylopyranosyl)oxy]-23-hydroxy-, beta-D-glucopyranosyl ester, (3beta,4alpha)- 21630096 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(CO6)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C 929.10 unknown https://doi.org/10.1007/BF00574328
Olean-12-ene-23,28-dioic acid, 3-[(O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-O-[beta-D-glucopyranosyl-(1->2)]-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-2-hydroxy-, 28-beta-D-glucopyranosyl ester, (2beta,3beta,4alpha)- 14587733 Click to see CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(OC4OC5C(CC6(C(C5(C)C(=O)O)CCC7(C6CC=C8C7(CCC9(C8CC(CC9)(C)C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C)C)C)O)CO)O)O)CO)O)O)O)O 1297.40 unknown https://doi.org/10.1007/BF00574328
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/10.1021/JF00099A006
https://doi.org/10.1021/JF00014A005
https://doi.org/10.1248/YAKUSHI1947.108.6_547
https://doi.org/10.1021/JF9901237
Soyasaponin VI 164453 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
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Ambrosanolides and secoambrosanolides
(3aR,5R,8aR,9aS)-6-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,8,9,9a-hexahydroazuleno[6,5-b]furan-2,7-dione 163003102 Click to see CC1CC2C(CC3(C1=C(C(=O)C3)O)C)C(=C)C(=O)O2 262.30 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives
[(3aR,4R,6Z,10Z,11aS)-4-acetyloxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-yl]methyl (E)-2-methylbut-2-enoate 162953859 Click to see CC=C(C)C(=O)OCC1=CCCC(=CC2C(C(C1)OC(=O)C)C(=C)C(=O)O2)CO 404.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
[(3aR,4S,6Z,10E,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate 6440861 Click to see CC1=CCCC(=CC2C(C(C1)OC(=O)C(=C)CO)C(=C)C(=O)O2)CO 348.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes
6-[(1E,3Z,5E,7Z,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,5,5-trimethylcyclohexene 9807220 Click to see CC1=CCCC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)(C)C 536.90 unknown via CMAUP database
Beta-Carotene 5280489 Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C 536.90 unknown via CMAUP database
Ibr-clc 6857557 Click to see CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C 542.90 unknown https://doi.org/10.1016/0305-1978(75)90058-7
Phytofluene 6436722 Click to see CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C 542.90 unknown https://doi.org/10.1016/0305-1978(75)90058-7
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
(2S,3R,4S,4aR,6aR,6bS,8S,8aR,12aS,14aR,14bR)-2,3,8-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid 100938719 Click to see CC1(CCC2(C(C1)C3=CCC4C(C3(CC2O)C)(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C(=O)O)C 518.70 unknown https://doi.org/10.1021/JF00083A005
(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/10.1002/PCA.2800040605
https://doi.org/10.1021/JF00083A005
(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/10.1021/JF00083A005
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 14779980 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(CO8)O)O)O)C)C)C2C1)C)C(=O)O)C 899.10 unknown https://doi.org/10.1007/BF00574328
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 13878153 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)O)C 767.00 unknown https://doi.org/10.1007/BF00574328
(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/10.1002/PCA.2800040605
https://doi.org/10.1021/JF00083A005
[(3S,8S,10S)-7-hydroxy-17-[(2S,5R)-2-hydroxy-5-(2-hydroxy-2-methylpropyl)oxolan-3-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,12,13,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate 5322043 Click to see CC(=O)OC1CCC2(C(C1(C)C)CC(C3(C2=CCC4C3(CCC4C5CC(OC5O)CC(C)(C)O)C)C)O)C 532.80 unknown via CMAUP database
10-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 13878149 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)O)C 767.00 unknown https://doi.org/10.1007/BF00574328
Bayogenin 12305221 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C 488.70 unknown https://doi.org/10.1021/JF00083A005
Hederagenin 73299 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C 472.70 unknown https://doi.org/10.1021/JF00083A005
Medicagenic acid 65048 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C2C1)C)C(=O)O)C 502.70 unknown https://doi.org/10.1016/S0031-9422(00)97750-1
https://doi.org/10.1016/S0031-9422(00)94504-7
https://doi.org/10.1002/JSFA.2740321204
https://doi.org/10.1002/PCA.2800040605
https://doi.org/10.1021/JF00083A005
https://doi.org/10.1016/S0021-9673(00)90044-X
Medicoside C 14779979 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(CO8)O)O)O)C)C)C2C1)C)C(=O)O)C 899.10 unknown https://doi.org/10.1007/BF00574328
https://doi.org/10.1007/BF00599263
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/10.1021/JF00083A005
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/10.1016/S0031-9422(00)97750-1
https://doi.org/10.1021/JF00083A005
https://doi.org/10.1002/PCA.2800040605
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/10.1002/PCA.2800040605
https://doi.org/10.1021/JF00083A005
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/10.1002/PCA.2800040605
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/10.1002/PCA.2800040605
https://doi.org/10.1021/JF00083A005
Soyasapogenol F 46173902 Click to see CC1(CC(C2(CCC3(C(=C2C1)CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C)C)O)C 458.70 unknown https://doi.org/10.1002/PCA.2800040605
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cholestane steroids / Cholesterols and derivatives
Cholest-4-en-3-one 91477 Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C 384.60 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
3beta-Hydroxy-1,11-dioxo-ergosta-8,24(28)-diene-4alpha-carboxylic acid 9982179 Click to see CC(C)C(=C)CCC(C)C1CCC2C1(CC(=O)C3=C2CCC4C3(C(=O)CC(C4C(=O)O)O)C)C 470.60 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal alkaloids / Solanidines and derivatives
(1S,2R,5S,7S,10S,11S,14S,15R,16S,17S,18S,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosane-7,18-diol 15558969 Click to see CC1CC(C2C(C3C(N2C1)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)O 415.70 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
(2R,3R,4S,5S,6R)-2-[[(3S,10S,13R)-17-[(E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 11968950 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C 574.80 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Vitamin D and derivatives
Cholecalciferol 5280795 Click to see CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C 384.60 unknown https://doi.org/10.1016/0003-9861(84)90363-1
Ergocalciferol 5280793 Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C 396.60 unknown https://doi.org/10.1016/0003-9861(84)90363-1
> Nucleosides, nucleotides, and analogues / Purine nucleosides
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(3S)-4-hydroxy-3-methylbutyl]amino]purin-9-yl]oxolane-3,4-diol 92143404 Click to see CC(CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)CO 353.37 unknown https://doi.org/10.1271/BBB1961.49.3481
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolane-3,4-diol 5529 Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)CO 351.36 unknown https://doi.org/10.1271/BBB1961.49.3481
(2S,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(Z)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolane-3,4-diol 94936831 Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)CO 351.36 unknown https://doi.org/10.1271/BBB1961.49.3481
2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol 191 Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N 267.24 unknown https://doi.org/10.1021/JF000876P
2-(Hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbutyl)amino]purin-9-yl]oxolane-3,4-diol 533555 Click to see CC(CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)CO 353.37 unknown https://doi.org/10.1271/BBB1961.49.3481
Adenosine 60961 Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N 267.24 unknown https://doi.org/10.1021/JF000876P
cis-Zeatin riboside 13935024 Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)CO 351.36 unknown https://doi.org/10.1271/BBB1961.49.3481
Nebularine 68368 Click to see C1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O 252.23 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
Zeatin riboside 6440982 Click to see CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)CO 351.36 unknown https://doi.org/10.1271/BBB1961.49.3481
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alanine and derivatives
DL-Alanine 602 Click to see CC(C(=O)O)N 89.09 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids
2-Aminohexanedioic acid 469 Click to see C(CC(C(=O)O)N)CC(=O)O 161.16 unknown via CMAUP database
2-Azetidinecarboxylic acid, 1-(3-hydroxypropyl)-, (2S)- 131231389 Click to see C1CN(C1C(=O)O)CCCO 159.18 unknown https://doi.org/10.3987/R-1984-05-1039
DL-Glutamine 738 Click to see C(CC(=O)N)C(C(=O)O)N 146.14 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
Medicanine 101409750 Click to see C1CN(C1C(=O)O)CCCO 159.18 unknown https://doi.org/10.3987/R-1984-05-1039
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / D-alpha-amino acids
(2R)-2-azaniumyl-5-(carbamoylamino)pentanoate 7004911 Click to see C(CC(C(=O)[O-])[NH3+])CNC(=O)N 175.19 unknown via CMAUP database
(R)-2-Amino-4-(aminooxy)butanoic acid 10176161 Click to see C(CON)C(C(=O)O)N 134.13 unknown via CMAUP database
2-Amino-2-deoxy-D-gluconic acid 73563 Click to see C(C(C(C(C(C(=O)O)N)O)O)O)O 195.17 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> 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
5-Hydroxylysine 3032849 Click to see C(CC(C(=O)O)N)C(CN)O 162.19 unknown https://doi.org/10.1016/S0031-9422(00)82835-6
L-2-Aminoadipic acid 92136 Click to see C(CC(C(=O)O)N)CC(=O)O 161.16 unknown via CMAUP database
L-canavanine 439202 Click to see C(CON=C(N)N)C(C(=O)O)N 176.17 unknown https://doi.org/10.1007/BF02002625
Nicotianamine 9882882 Click to see C1CN(C1C(=O)O)CCC(C(=O)O)NCCC(C(=O)O)N 303.31 unknown https://doi.org/10.1016/S0031-9422(00)91014-8
O-phospho-L-threonine 3246323 Click to see CC(C(C(=O)O)N)OP(=O)(O)O 199.10 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Asparagine and derivatives
DL-Asparagine 236 Click to see C(C(C(=O)O)N)C(=O)N 132.12 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> 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://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Methionine and derivatives
Racemethionine 876 Click to see CSCCC(C(=O)O)N 149.21 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / N-hydroxyl-alpha-amino acids
(2S)-6-amino-2-(hydroxyamino)hexanoic acid 18394836 Click to see C(CCN)CC(C(=O)O)NO 162.19 unknown https://doi.org/10.1016/S0031-9422(00)82835-6
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Proline and derivatives
1,1-Dimethyl-prolinium 448301 Click to see C[N+]1(CCCC1C(=O)O)C 144.19 unknown via CMAUP database
1,1-Dimethylpyrrolidinium-2-carboxylate 554 Click to see C[N+]1(CCCC1C(=O)[O-])C 143.18 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1080658/
DL-Proline 614 Click to see C1CC(NC1)C(=O)O 115.13 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
Stachydrine 115244 Click to see C[N+]1(CCCC1C(=O)[O-])C 143.18 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1080658/
https://doi.org/10.1016/S0031-9422(00)82824-1
> 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://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> 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://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Amino acids and derivatives / Gamma amino acids and derivatives
4-Acetamidobutyric acid 18189 Click to see CC(=O)NCCCC(=O)O 145.16 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
Gamma-Aminobutyric Acid 119 Click to see C(CC(=O)O)CN 103.12 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Peptides / Oligopeptides
(2S)-N-[(1S)-1-[[(1S)-1-(acetylcarbamoyl)-4-guanidino-butyl]carbamoyl]-4-guanidino-butyl]-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-hydroxy-pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanamide 49769220 Click to see CC(=O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)O 1465.70 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
cis-3-Hexenyl acetate 5363388 Click to see CCC=CCCOC(=O)C 142.20 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
Hex-3-enyl acetate 15574 Click to see CCC=CCCOC(=O)C 142.20 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
Butanedioate;hydron 21952380 Click to see [H+].[H+].C(CC(=O)[O-])C(=O)[O-] 118.09 unknown via CMAUP database
Fumaric Acid 444972 Click to see C(=CC(=O)O)C(=O)O 116.07 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
Glutaric acid 743 Click to see C(CC(=O)O)CC(=O)O 132.11 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
Succinic Acid 1110 Click to see C(CC(=O)O)C(=O)O 118.09 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
Isocitric acid 1198 Click to see C(C(C(C(=O)O)O)C(=O)O)C(=O)O 192.12 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
3-Hydroxypropionic acid 68152 Click to see C(CO)C(=O)O 90.08 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Organic acids and derivatives / Keto acids and derivatives / Gamma-keto acids and derivatives
2-Oxoglutaric acid 51 Click to see C(CC(=O)O)C(=O)C(=O)O 146.10 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Organic acids and derivatives / Keto acids and derivatives / Short-chain keto acids and derivatives
Oxalacetic acid 970 Click to see C(C(=O)C(=O)O)C(=O)O 132.07 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Secondary amines / Dialkylamines
Bis(3-aminopropyl)amine 5942 Click to see C(CN)CNCCCN 131.22 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1055875/
N,N'-Bis(3-aminopropyl)-1,3-propanediamine 78350 Click to see C(CN)CNCCCNCCCN 188.31 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1055875/
> Organic oxygen compounds / Organic oxides
(2S)-2-methyl-4-pentenal 10176097 Click to see CC(CC=C)C=O 98.14 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
2-Methyl-4-pentenal 521355 Click to see CC(CC=C)C=O 98.14 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
> 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/10.1002/PCA.2800040605
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols
Isoamyl alcohol 31260 Click to see CC(C)CCO 88.15 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
(1R,5S)-5-bromo-2-[(E)-2-bromoethenyl]-4,4-dimethylcyclohex-2-en-1-ol 21603636 Click to see CC1(C=C(C(CC1Br)O)C=CBr)C 310.03 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
(3R)-pent-1-en-3-ol 6994331 Click to see CCC(C=C)O 86.13 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
(S)-(+)-2-Pentanol 2724896 Click to see CCCC(C)O 88.15 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
1-Penten-3-OL 12020 Click to see CCC(C=C)O 86.13 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
2-Pentanol 22386 Click to see CCCC(C)O 88.15 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols / Cyclohexanols
1D-3-O-Methyl-myo-inositol 440079 Click to see COC1C(C(C(C(C1O)O)O)O)O 194.18 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1080920/
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://www.ncbi.nlm.nih.gov/pmc/articles/PMC1080920/
D-Pinitol 164619 Click to see COC1C(C(C(C(C1O)O)O)O)O 194.18 unknown https://doi.org/10.1016/S0031-9422(00)81730-6
Ononitol 5320294 Click to see COC1C(C(C(C(C1O)O)O)O)O 194.18 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glucuronides / O-glucuronides
4-O-alpha-D-Galactopyranuronosyl-alpha-D-galactopyranuronic acid 6857565 Click to see C1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)O)O)O)O)C(=O)O)O)O 370.26 unknown https://doi.org/10.1039/JR9610004215
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid 4532283 Click to see C1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)O)O)O)O)C(=O)O)O)O 370.26 unknown https://doi.org/10.1039/JR9610004215
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
2-O-beta-D-Glucopyranosyl-D-glucopyranose 12304904 Click to see C(C1C(C(C(C(O1)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O 342.30 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose 440658 Click to see C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O 342.30 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
Maltose 439186 Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O 342.30 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
Methyl beta-D-glucopyranoside 445238 Click to see COC1C(C(C(C(O1)CO)O)O)O 194.18 unknown via CMAUP database
Trehalose 7427 Click to see C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O 342.30 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides
1,5-Anhydro-D-glucitol 64960 Click to see C1C(C(C(C(O1)CO)O)O)O 164.16 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
D-(-)-Fructose 5984 Click to see C(C(C(C(C(=O)CO)O)O)O)O 180.16 unknown https://doi.org/10.1039/JR9610004215
Sorbose, L- 1101 Click to see C(C(C(C(C(=O)CO)O)O)O)O 180.16 unknown https://doi.org/10.1039/JR9610004215
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Heptoses
Sedoheptulose 5459879 Click to see C(C(C(C(C(C(=O)CO)O)O)O)O)O 210.18 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal 19233 Click to see CC(C(C(C(C=O)O)O)O)O 164.16 unknown https://doi.org/10.1039/JR9610004215
(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal 3034656 Click to see CC(C(C(C(C=O)O)O)O)O 164.16 unknown https://doi.org/10.1039/JR9610004215
2,3,4,6-Tetra-O-methyl-D-galactose 14104336 Click to see COCC(C(C(C(C=O)OC)OC)OC)O 236.26 unknown https://doi.org/10.1039/JR9610004215
2,3,4,6-Tetra-O-methylhexose 538740 Click to see COCC(C(C(C(C=O)OC)OC)OC)O 236.26 unknown https://doi.org/10.1039/JR9610004215
6-Deoxyglucose 93579 Click to see CC(C(C(C(C=O)O)O)O)O 164.16 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
L-(-)-Fucose 220001 Click to see CC(C(C(C(C=O)O)O)O)O 164.16 unknown https://doi.org/10.1039/JR9610004215
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses / Hexose phosphates
Glucose 6-phosphate 5958 Click to see C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O 260.14 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Monosaccharide phosphates
D-glucopyranose 1-phosphate 439165 Click to see C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O 260.14 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Pentoses
2-o-Methylxylose 14536300 Click to see COC(C=O)C(C(CO)O)O 164.16 unknown https://doi.org/10.1039/JR9610004215
3,4,5-Trihydroxy-2-methoxypentanal 14536299 Click to see COC(C=O)C(C(CO)O)O 164.16 unknown https://doi.org/10.1039/JR9610004215
DL-Arabinose 854 Click to see C(C(C(C(C=O)O)O)O)O 150.13 unknown https://doi.org/10.1039/JR9610004215
L-Ribose 90428 Click to see C(C(C(C(C=O)O)O)O)O 150.13 unknown https://doi.org/10.1039/JR9610004215
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives
(2R)-2,3-Dihydroxypropanoic acid 439194 Click to see C(C(C(=O)O)O)O 106.08 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
(2R,3R,4R,5S)-2,5-dihydroxy-3,4-dimethoxyhexanal 162940440 Click to see CC(C(C(C(C=O)O)OC)OC)O 192.21 unknown https://doi.org/10.1039/JR9610004215
(2R,3S,4R,5S)-2,3,5-trihydroxy-4-methoxyhexanal 163086457 Click to see CC(C(C(C(C=O)O)O)OC)O 178.18 unknown https://doi.org/10.1039/JR9610004215
2-Hexenal 5281168 Click to see CCCC=CC=O 98.14 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
2-Nonenal 5283335 Click to see CCCCCCC=CC=O 140.22 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
2-O-methyl-6-deoxy-l-talose 129844282 Click to see CC(C(C(C(C=O)OC)O)O)O 178.18 unknown https://doi.org/10.1039/JR9610004215
2,3,5-Trihydroxy-4-methoxyhexanal 18534161 Click to see CC(C(C(C(C=O)O)O)OC)O 178.18 unknown https://doi.org/10.1039/JR9610004215
2,4-Hexadienal 637564 Click to see CC=CC=CC=O 96.13 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
2,4-Hexadienaldehyd 8901 Click to see CC=CC=CC=O 96.13 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
2,5-Dihydroxy-3,4-dimethoxyhexanal 22266942 Click to see CC(C(C(C(C=O)O)OC)OC)O 192.21 unknown https://doi.org/10.1039/JR9610004215
3,4,5-Trihydroxy-2-methoxyhexanal 12304703 Click to see CC(C(C(C(C=O)OC)O)O)O 178.18 unknown https://doi.org/10.1039/JR9610004215
Hexanal 6184 Click to see CCCCCC=O 100.16 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
Hexenal 10460 Click to see CCCC=CC=O 98.14 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
Non-2-enal 17166 Click to see CCCCCCC=CC=O 140.22 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated aldehydes / Enals
2-Pentenal 5364752 Click to see CCC=CC=O 84.12 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
Pent-2-enal 12993 Click to see CCC=CC=O 84.12 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Enones
Ethyl vinyl ketone 15394 Click to see CCC(=O)C=C 84.12 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
3-Octanone 246728 Click to see CCCCCC(=O)CC 128.21 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
3-Pentanone 7288 Click to see CCC(=O)CC 86.13 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
Acetophenone 7410 Click to see CC(=O)C1=CC=CC=C1 120.15 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
> Organic oxygen compounds / Organooxygen compounds / Enols
(e)-2-Hexen-2-ol 6442156 Click to see CCCC=C(C)O 100.16 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
(E)-pent-2-en-2-ol 5463824 Click to see CCC=C(C)O 86.13 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
Methylpentenol 176548 Click to see CCCC=C(C)O 100.16 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
Pent-2-en-2-ol 20981110 Click to see CCC=C(C)O 86.13 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
(R)-(-)-2-Hexen-4-olid 11137122 Click to see CCC1C=CC(=O)O1 112.13 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
5-ethyl-2(5H)-furanone 16997 Click to see CCC1C=CC(=O)O1 112.13 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
> Organoheterocyclic compounds / Heteroaromatic compounds
2-Ethylfuran 18554 Click to see CCC1=CC=CO1 96.13 unknown https://doi.org/10.1016/S0031-9422(97)00119-2
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives
2-amino-3,7-dihydropurin-6-one 764 Click to see C1=NC2=C(N1)C(=O)N=C(N2)N 151.13 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Organoheterocyclic compounds / Pyridines and derivatives / Hydropyridines / Pyridinones
2-Hydroxypyridine 8871 Click to see C1=CC(=O)NC=C1 95.10 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridinecarboxylic acids and derivatives / Pyridinecarboxylic acids
1-Methylpyridinium-3-carboxylate hydrochloride 6419886 Click to see C[N+]1=CC=CC(=C1)C(=O)[O-].Cl 173.60 unknown via CMAUP database
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
2-(4-Hydroxy-2-methoxyphenyl)-6-methoxy-1-benzofuran-3-carboxylic acid 163192693 Click to see COC1=CC2=C(C=C1)C(=C(O2)C3=C(C=C(C=C3)O)OC)C(=O)O 314.29 unknown https://doi.org/10.1016/0031-9422(93)85025-M
Methyl 2-(2-methoxy-4-hydroxyphenyl)-6-methoxy-3-benzofurancarboxylate 11738939 Click to see COC1=CC2=C(C=C1)C(=C(O2)C3=C(C=C(C=C3)O)OC)C(=O)OC 328.30 unknown https://doi.org/10.1016/0031-9422(93)85025-M
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acids
2-Propenoic acid, 3-phenyl- 8784 Click to see C1=CC=C(C=C1)C=CC(=O)O 148.16 unknown https://doi.org/10.1002/PCA.2800040309
Cinnamic acid 444539 Click to see C1=CC=C(C=C1)C=CC(=O)O 148.16 unknown https://doi.org/10.1002/PCA.2800040309
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC158699/
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
4-Hydroxycinnamic acid 322 Click to see C1=CC(=CC=C1C=CC(=O)O)O 164.16 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC158699/
Caffeic Acid 689043 Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O 180.16 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC158699/
cis-p-Coumaric acid 1549106 Click to see C1=CC(=CC=C1C=CC(=O)O)O 164.16 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC158699/
Ferulic acid 445858 Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O 194.18 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC158699/
p-Coumaric acid 637542 Click to see C1=CC(=CC=C1C=CC(=O)O)O 164.16 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC158699/
https://doi.org/10.1002/PCA.2800040309
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 4-hydroxycoumarins
Dicumarol 54676038 Click to see C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O 336.30 unknown via CMAUP database
> 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/10.1021/JF00028A012
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/10.1021/JF00028A012
> Phenylpropanoids and polyketides / Flavonoids / Flavones
4',7-Dihydroxyflavone 5282073 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)O 254.24 unknown https://doi.org/10.1016/0031-9422(93)85025-M
Luteolin 5280445 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O 286.24 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1077609/
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Azaleatin 5281604 Click to see COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)O 316.26 unknown https://doi.org/10.1515/ZNC-1980-5-605
Isorhamnetin 5281654 Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O 316.26 unknown https://doi.org/10.1515/ZNC-1980-5-605
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/10.1139/B88-058
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-3-O-glycosides
Petunidin 3-sambubioside 44256968 Click to see COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(CO5)O)O)O)O)O 611.50 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-5-O-glycosides
(3S,4S,6S)-2-(hydroxymethyl)-6-[7-hydroxy-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxane-3,4,5-triol 44256888 Click to see C1=C(C=C(C(=C1O)O)O)C2=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 627.50 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides
(2R,3S,4S,5R,6S)-5-[(2R,3R,4S,5R,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-3,4-dihydroxyoxane-2-carboxylic acid 163194018 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)C(=O)O)O)O)C(=O)O)O)O)O 798.70 unknown https://doi.org/10.1016/S0031-9422(01)00204-7
(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 15478939 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O 446.40 unknown https://doi.org/10.1021/JF000876P
4'-O-(2'-E-Feruloyl GluA(1-2)GluA) Apigenin 134747237 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)C(=O)O)O)O)C(=O)O)O)O)O 798.70 unknown https://doi.org/10.1016/S0031-9422(01)00204-7
5-[6-Carboxy-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-3,4-dihydroxyoxane-2-carboxylic acid 73746333 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)C(=O)O)O)O)C(=O)O)O)O)O 798.70 unknown https://doi.org/10.1016/S0031-9422(01)00204-7
6-[4-(5,7-Dihydroxy-4-oxochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 73195935 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O 446.40 unknown https://doi.org/10.1021/JF000876P
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-7-O-glucuronides
(2R,3S,4R,5S,6R)-6-[2-[4-[(2S,3S,4R,5R,6S)-6-carboxy-3-[(2S,3R,4R,5R,6R)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 163189754 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)C(=O)O)O)O)C(=O)O)O)O)O 974.80 unknown https://doi.org/10.1016/S0031-9422(01)00204-7
(2S,3S,4R,5R,6S)-6-[4-[7-[(2S,3R,4S,5S,6S)-6-carboxy-3-[(2R,3R,4S,5S,6R)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 162969963 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC(=C(C=C6)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)O)C(=O)O)O)O)C(=O)O)O)O)O 990.80 unknown https://doi.org/10.1021/JF000876P
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-6-carboxy-2-[2-[4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 15478938 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)OC6C(C(C(C(O6)C(=O)O)O)O)O 798.60 unknown https://doi.org/10.1021/JF000876P
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 102470743 Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)O 652.50 unknown https://doi.org/10.1016/0305-1978(82)90048-5
(2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5R,6R)-2-carboxy-6-[(2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3-hydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 163188890 Click to see COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)OC6C(C(C(C(O6)C(=O)O)O)O)O)OC(=O)C=CC7=CC(=C(C=C7)O)OC)O 1034.80 unknown https://doi.org/10.1021/JF010600X
(2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5R,6S)-2-carboxy-5-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-3-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 163188532 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC=C(C=C6)O)O)C(=O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C(=O)O)O)O)O 974.80 unknown https://doi.org/10.1021/JF000876P
https://doi.org/10.1016/S0031-9422(01)00204-7
(2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5R,6S)-2-carboxy-5-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-3-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 163194391 Click to see C1=CC(=CC=C1C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC=C(C=C6)O)O)C(=O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C(=O)O)O)O)O 944.70 unknown https://doi.org/10.1021/JF000876P
(2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5S,6S)-2-carboxy-5-[(2R,3R,4S,5S,6R)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-3-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 163074648 Click to see C1=CC(=CC=C1C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC=C(C=C6)O)O)C(=O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C(=O)O)O)O)O 944.70 unknown https://doi.org/10.1021/JF000876P
(2S,3S,4S,5R,6S)-5-[(2R,3R,4S,5S,6R)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid 163073984 Click to see COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)OC(=O)C=CC6=CC=C(C=C6)O)O 828.70 unknown https://doi.org/10.1021/JF010600X
(2S,3S,4S,5R,6S)-5-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid 163194019 Click to see COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)OC(=O)C=CC6=CC(=C(C=C6)O)OC)O 858.70 unknown https://doi.org/10.1021/JF010600X
(2S,3S,4S,5R,6S)-5-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid 163185761 Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC(=C(C(=C6)OC)O)OC)O)C(=O)O)O)O)C(=O)O)O)O 888.70 unknown https://doi.org/10.1021/JF010600X
(2S,3S,4S,5R,6S)-5-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid 101147711 Click to see COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)OC(=O)C=CC6=CC=C(C=C6)O)O 828.70 unknown https://doi.org/10.1021/JF010600X
(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 162889687 Click to see COC1=CC(=CC(=C1O)O)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O 492.40 unknown https://doi.org/10.1021/JF010600X
(2S,3S,4S,5R,6S)-6-[2-[4-[(2S,3R,4S,5S,6S)-6-carboxy-3-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 162856202 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)C(=O)O)O)O)C(=O)O)O)O)O 974.80 unknown https://doi.org/10.1016/S0031-9422(01)00204-7
(2S,3S,4S,5R,6S)-6-[2-[4-[(2S,3R,4S,5S,6S)-6-carboxy-3-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 162984507 Click to see C1=CC(=CC=C1C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)C(=O)O)O)O)C(=O)O)O)O)O 944.70 unknown https://doi.org/10.1016/S0031-9422(01)00204-7
(2S,3S,4S,5R,6S)-6-[2-[4-[(2S,3S,4S,5S,6S)-6-carboxy-3-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 162984508 Click to see C1=CC(=CC=C1C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)C(=O)O)O)O)C(=O)O)O)O)O 944.70 unknown https://doi.org/10.1016/S0031-9422(01)00204-7
(2S,3S,4S,5R,6S)-6-[4-[7-[(2S,3R,4S,5S,6S)-6-carboxy-3-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 15478943 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC(=C(C=C6)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)O)C(=O)O)O)O)C(=O)O)O)O)O 990.80 unknown https://doi.org/10.1021/JF000876P
(2S,3S,4S,5R,6S)-6-[4-[7-[(2S,3R,4S,5S,6S)-6-carboxy-3-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 15478940 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC=C(C=C6)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)C(=O)O)O)O)C(=O)O)O)O)O 974.80 unknown https://doi.org/10.1021/JF000876P
(2S,3S,4S,5R,6S)-6-[4-[7-[(2S,3S,4S,5S,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 163000075 Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O 652.50 unknown https://doi.org/10.1021/JF010600X
(2S,3S,4S,5R,6S)-6-[4-[7-[(2S,3S,4S,5S,6R)-6-carboxy-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 162849054 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)OC6C(C(C(C(O6)C(=O)O)O)O)O 784.60 unknown https://doi.org/10.1021/JF000876P
(2S,3S,4S,5S,6S)-5-[(2R,3S,4S,5S,6R)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid 163036884 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC(=C(C=C6)O)OC)O)C(=O)O)O)O)C(=O)O)O)O)O 828.70 unknown https://doi.org/10.1021/JF010600X
(2S,3S,4S,5S,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 162889686 Click to see COC1=CC(=CC(=C1O)O)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O 492.40 unknown https://doi.org/10.1021/JF010600X
(2S,3S,4S,5S,6S)-6-[2-[4-[(2S,3S,4S,5S,6R)-6-carboxy-3-[(2R,3R,4R,5S,6R)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 163194020 Click to see C1=CC(=CC=C1C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)C(=O)O)O)O)C(=O)O)O)O)O 944.70 unknown https://doi.org/10.1016/S0031-9422(01)00204-7
3,4,5-Trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid 5387370 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O 446.40 unknown https://doi.org/10.1021/JF000876P
3'-Methoxytricetin 7-glucuronide 74977744 Click to see COC1=CC(=CC(=C1O)O)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O 492.40 unknown https://doi.org/10.1021/JF010600X
4-[7-(beta-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-methoxyphenyl beta-D-glucopyranosiduronic acid 163000074 Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O 652.50 unknown https://doi.org/10.1021/JF010600X
5-[6-Carboxy-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid 74977717 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC(=C(C=C6)O)OC)O)C(=O)O)O)O)C(=O)O)O)O)O 828.70 unknown https://doi.org/10.1021/JF010600X
5-[6-Carboxy-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid 162864442 Click to see COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)OC(=O)C=CC6=CC(=C(C=C6)O)OC)O 858.70 unknown https://doi.org/10.1021/JF010600X
5-[6-Carboxy-4,5-dihydroxy-3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid 162919955 Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC(=C(C(=C6)OC)O)OC)O)C(=O)O)O)O)C(=O)O)O)O 888.70 unknown https://doi.org/10.1021/JF010600X
5-[6-Carboxy-4,5-dihydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid 74977756 Click to see COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)OC(=O)C=CC6=CC=C(C=C6)O)O 828.70 unknown https://doi.org/10.1021/JF010600X
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranuronosyl]-beta-D-glucopyranosiduronic acid 53493979 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC(=C(C=C6)O)OC)O)C(=O)O)O)O)C(=O)O)O)O)O 828.70 unknown https://doi.org/10.1021/JF010600X
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl O-beta-D-glucopyranuronosyl-(1-->3)-O-2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranuronosyl-(1-->2)-beta-D-glucopyranosiduronic acid 163190564 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC(=C(C=C6)O)OC)O)C(=O)O)O)O)C(=O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)O 1004.80 unknown https://doi.org/10.1021/JF010600X
5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid 162996911 Click to see COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O 682.50 unknown https://doi.org/10.1021/JF010600X
6-[2-[4-[6-Carboxy-3-[6-carboxy-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 162856199 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)C(=O)O)O)O)C(=O)O)O)O)O 974.80 unknown https://doi.org/10.1016/S0031-9422(01)00204-7
6-[2-[4-[6-Carboxy-3-[6-carboxy-4,5-dihydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 74977539 Click to see C1=CC(=CC=C1C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)C(=O)O)O)O)C(=O)O)O)O)O 944.70 unknown https://doi.org/10.1016/S0031-9422(01)00204-7
6-[2-Carboxy-5-[6-carboxy-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-3-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 163039790 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC=C(C=C6)O)O)C(=O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C(=O)O)O)O)O 974.80 unknown https://doi.org/10.1021/JF000876P
https://doi.org/10.1016/S0031-9422(01)00204-7
6-[2-Carboxy-5-[6-carboxy-4,5-dihydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-3-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 74977538 Click to see C1=CC(=CC=C1C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC=C(C=C6)O)O)C(=O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C(=O)O)O)O)O 944.70 unknown https://doi.org/10.1021/JF000876P
6-[2-Carboxy-6-[6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3-hydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 163004124 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC(=C(C=C6)O)OC)O)C(=O)O)O)O)C(=O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)O 1004.80 unknown https://doi.org/10.1021/JF010600X
6-[2-Carboxy-6-[6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3-hydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 162926764 Click to see COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)OC6C(C(C(C(O6)C(=O)O)O)O)O)OC(=O)C=CC7=CC(=C(C=C7)O)OC)O 1034.80 unknown https://doi.org/10.1021/JF010600X
6-[4-[7-[6-Carboxy-3-[6-carboxy-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 74977681 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC(=C(C=C6)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)O)C(=O)O)O)O)C(=O)O)O)O)O 990.80 unknown https://doi.org/10.1021/JF000876P
6-[4-[7-[6-Carboxy-3-[6-carboxy-4,5-dihydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 163024103 Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC=C(C=C6)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)C(=O)O)O)O)C(=O)O)O)O)O 974.80 unknown https://doi.org/10.1021/JF000876P
Apigenin 7-[glucuronyl-(1->2)-glucuronide] 4'-glucuronide 131752324 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)OC6C(C(C(C(O6)C(=O)O)O)O)O 798.60 unknown https://doi.org/10.1021/JF000876P
Apigenin 7-glucuronide 5319484 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O 446.40 unknown https://doi.org/10.1021/JF000876P
https://doi.org/10.1016/0305-1978(82)90048-5
Chrysoeriol 4',7-diglucuronide 74977716 Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O 652.50 unknown https://doi.org/10.1021/JF010600X
Clerodendrin 5488004 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)O 622.50 unknown https://doi.org/10.1021/JF000876P
Flavone base + 3O, O-HexA-HexA 74977517 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)O 622.50 unknown https://doi.org/10.1021/JF000876P
Luteolin 7-glucuronide 5280601 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O 462.40 unknown https://doi.org/10.1021/JF000876P
Luteolin-7-o-glucuronide 13607752 Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O 462.40 unknown https://doi.org/10.1021/JF000876P
Tricin 7-diglucuronoside 131752191 Click to see COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O 682.50 unknown https://doi.org/10.1021/JF010600X
Tricin 7-glucuronoside 74977751 Click to see COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O 506.40 unknown https://doi.org/10.1021/JF010600X
Tricin 7-O-glucuronide 101939793 Click to see COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O 506.40 unknown https://doi.org/10.1016/0305-1978(82)90048-5
https://doi.org/10.1021/JF010600X
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
(2S,3R,4S,5R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxyoxane-3,4,5-triol 6325587 Click to see COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(CO4)O)O)O)O)O 463.40 unknown via CMAUP database
2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 163026778 Click to see COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)O 478.40 unknown https://doi.org/10.1515/ZNC-1980-5-605
7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 163044686 Click to see COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)O)OC)OC4C(C(C(C(O4)CO)O)O)O)O 492.40 unknown https://doi.org/10.1515/ZNC-1980-5-605
Hyperoside 5281643 Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O 464.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1077608/
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1077609/
Petunidin 3-arabinoside cation 6325802 Click to see COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(CO4)O)O)O)O)O 449.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 71541772 Click to see COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O 430.40 unknown via CMAUP database
Naringin 442428 Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O 580.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids
3',5'-di-O-methyltricetin(1-) 46878516 Click to see COC1=CC(=CC(=C1[O-])OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O 329.28 unknown via CMAUP database
Isokaempferide 5280862 Click to see COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O 300.26 unknown https://doi.org/10.1515/ZNC-1980-5-605
Malvidin 159287 Click to see COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O 331.30 unknown via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / Coumestans
3-Hydroxy-8,9-dimethoxycoumestan 5748556 Click to see COC1=C(C=C2C(=C1)C3=C(O2)C4=C(C=C(C=C4)O)OC3=O)OC 312.27 unknown https://doi.org/10.1016/S0031-9422(00)83981-3
9-O-Methylcoumestrol 5319565 Click to see COC1=CC2=C(C=C1)C3=C(O2)C4=C(C=C(C=C4)O)OC3=O 282.25 unknown https://doi.org/10.1021/JF60142A033
Coumestrol 5281707 Click to see C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O 268.22 unknown https://doi.org/10.1016/0160-9327(76)90004-1
https://doi.org/10.1021/JF60229A034
https://doi.org/10.1111/J.1748-1716.1962.TB02499.X
https://doi.org/10.1016/0031-9422(93)85025-M
https://doi.org/10.1021/JF00121A041
https://doi.org/10.1093/OXFORDJOURNALS.JHERED.A102397
Lucernol 5748586 Click to see C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=CC(=C(C=C43)O)O 284.22 unknown via CMAUP database
Medicagol 5319322 Click to see C1OC2=C(O1)C=C3C(=C2)C4=C(O3)C5=C(C=C(C=C5)O)OC4=O 296.23 unknown via CMAUP database
Sativol 3084009 Click to see COC1=C(C2=C(C=C1)C3=C(C4=C(O3)C=C(C=C4)O)C(=O)O2)O 298.25 unknown via CMAUP database
Wairol 5488650 Click to see COC1=CC2=C(C(=C1)OC)C3=C(O2)C4=C(C=C(C=C4)O)OC3=O 312.27 unknown https://doi.org/10.1016/S0031-9422(00)83981-3
> Phenylpropanoids and polyketides / Isoflavonoids / Furanoisoflavonoids / Pterocarpans
3-Hydroxy-4,9-dimethoxypterocarpan 14077265 Click to see COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4OC)O 300.30 unknown https://doi.org/10.1021/NP50056A025
https://doi.org/10.1021/NP50063A026
Medicarpin 336327 Click to see COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O 270.28 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC158695/
https://doi.org/10.1021/NP50063A026
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC158699/
https://doi.org/10.1021/NP50056A025
https://doi.org/10.1016/0031-9422(91)85107-B
Methylnissolin 5319733 Click to see COC1=C(C2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O)OC 300.30 unknown https://doi.org/10.1016/0031-9422(91)83483-2
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones
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/10.1021/JF60116A026
Genistein 5280961 Click to see C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O 270.24 unknown https://doi.org/10.1111/J.1748-1716.1962.TB02499.X
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavonoid O-glycosides
Formononetin 7-O-glucoside-6''-O-malonate 23724663 Click to see COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O 516.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids
(-)-Sativan 170570 Click to see COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)OC 286.32 unknown https://doi.org/10.1021/NP50063A026
7-Hydroxy-2',4',5'-trimethoxyisoflavan 14394138 Click to see COC1=CC(=C(C=C1C2CC3=C(C=C(C=C3)O)OC2)OC)OC 316.30 unknown https://doi.org/10.1021/NP50063A026
Sativan 596401 Click to see COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)OC 286.32 unknown https://doi.org/10.1021/NP50063A026
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids / 4-O-methylisoflavones
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/JF60116A026
CID 10378473 10378473 Click to see COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O 271.24 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(93)85025-M
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 7-O-methylated isoflavonoids / 7-O-methylisoflavones
Alfalone 12132870 Click to see COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)O)OC 298.29 unknown https://doi.org/10.1271/BBB1961.52.3223
> 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://doi.org/10.1271/BBB.57.1353
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / Retro-dihydrochalcones
Licodione 439528 Click to see C1=CC(=CC=C1C(=O)CC(=O)C2=C(C=C(C=C2)O)O)O 272.25 unknown https://doi.org/10.1271/BBB.57.1353
https://doi.org/10.1271/BBB1961.52.3223
> Phenylpropanoids and polyketides / Stilbenes
Piceatannol 667639 Click to see C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)O)O)O)O 244.24 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5504246/

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