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CHEBI:131498 - quercetin 3,4'-di-O-β-D-glucoside

Default Structure
ChEBI IDCHEBI:131498
ChEBI Namequercetin 3,4'-di-O-β-D-glucoside
Stars
ASCII Namequercetin 3,4'-di-O-beta-D-glucoside
DefinitionA quercetin O-glucoside that is quercetin with two β-D-glucosyl residues attached at positions 3 and 4'.
Last Modified14 November 2016
Submittermwilliams
DownloadsMolfile
FormulaC27H30O17
Net Charge0
Average Mass626.520
Monoisotopic Mass626.14830
SMILESO=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12
InChIInChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1
InChIKeyRPVIQWDFJPYNJM-DEFKTLOSSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Allium cepa (ncbitaxon:4679) - PubMed (23656415)
Solanum habrochaites (ncbitaxon:62890) - MetaboLights (MTBLS297)
Solanum lycopersicum (ncbitaxon:4081) - MetaboLights (MTBLS297)
Roles Classification
Chemical Role:
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
quercetin 3,4'-di-O-β-D-glucoside (CHEBI:131498) has role cardioprotective agent (CHEBI:77307)
quercetin 3,4'-di-O-β-D-glucoside (CHEBI:131498) has role plant metabolite (CHEBI:76924)
quercetin 3,4'-di-O-β-D-glucoside (CHEBI:131498) has role radical scavenger (CHEBI:48578)
quercetin 3,4'-di-O-β-D-glucoside (CHEBI:131498) is a monosaccharide derivative (CHEBI:63367)
quercetin 3,4'-di-O-β-D-glucoside (CHEBI:131498) is a polyphenol (CHEBI:26195)
quercetin 3,4'-di-O-β-D-glucoside (CHEBI:131498) is a quercetin O-glucoside (CHEBI:64621)
quercetin 3,4'-di-O-β-D-glucoside (CHEBI:131498) is a trihydroxyflavone (CHEBI:27116)
quercetin 3,4'-di-O-β-D-glucoside (CHEBI:131498) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
4-[3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-hydroxyphenyl β-D-glucopyranoside
Synonyms  Source
Quercetin 3,4'-diglucosideLIPID MAPS
Quercetin 3,4'-di-O-beta-D-glucopyranosideKNApSAcK
quercetin 3,4'-O-diglucosideChEBI
Manual XrefsDatabases
4478806ChemSpider
C00005436KNApSAcK
CPD-14753MetaCyc
HMDB0037363HMDB
LMPK12112104LIPID MAPS
Quercetin_3,4%27-diglucosideWikipedia
Registry NumbersSources
Reaxys:4345290Reaxys
CAS:29125-80-2KNApSAcK
Citations