CHEBI:131499 - quercetin 7,4'-di-O-β-D-glucoside

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ChEBI Name quercetin 7,4'-di-O-β-D-glucoside
ChEBI ID CHEBI:131499
ChEBI ASCII Name quercetin 7,4'-di-O-beta-D-glucoside
Definition A quercetin O-glucoside that is quercetin with two β-D-glucosyl residues attached at positions 7 and 4'.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000022061529
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Formula C27H30O17
Net Charge 0
Average Mass 626.518
Monoisotopic Mass 626.14830
InChI InChI=1S/C27H30O17/c28-6-14-17(32)20(35)23(38)26(43-14)40-9-4-11(31)16-13(5-9)41-25(22(37)19(16)34)8-1-2-12(10(30)3-8)42-27-24(39)21(36)18(33)15(7-29)44-27/h1-5,14-15,17-18,20-21,23-24,26-33,35-39H,6-7H2/t14-,15-,17-,18-,20+,21+,23-,24-,26-,27-/m1/s1
InChIKey QZXHFNCQMMUANB-UINLEYECSA-N
SMILES C1=CC(=C(C=C1C2=C(C(C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)O)=O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O
Metabolite of Species Details
Solanum lycopersicum (NCBI:txid4081) See: MetaboLights Study
Solanum habrochaites (NCBI:txid62890) See: MetaboLights Study
Rhodomyrtus tomentosa (NCBI:txid98583) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing quercetin 7,4'-di-O-β-D-glucoside (CHEBI:131499) has role plant metabolite (CHEBI:76924)
quercetin 7,4'-di-O-β-D-glucoside (CHEBI:131499) is a β-D-glucoside (CHEBI:22798)
quercetin 7,4'-di-O-β-D-glucoside (CHEBI:131499) is a flavonols (CHEBI:28802)
quercetin 7,4'-di-O-β-D-glucoside (CHEBI:131499) is a monosaccharide derivative (CHEBI:63367)
quercetin 7,4'-di-O-β-D-glucoside (CHEBI:131499) is a polyphenol (CHEBI:26195)
quercetin 7,4'-di-O-β-D-glucoside (CHEBI:131499) is a quercetin O-glucoside (CHEBI:64621)
quercetin 7,4'-di-O-β-D-glucoside (CHEBI:131499) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name
4-[7-(β-D-glucopyranosyloxy)-3,5-dihydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-hydroxyphenyl β-D-glucopyranoside
Synonyms Sources
Quercetin 4',7-diglucoside HMDB
quercetin 4',7-O-β-D-diglucoside ChEBI
quercetin 4',7-O-diglucoside ChEBI
Quercetin 7,4'-diglucoside LIPID MAPS
quercetin 7,4'-O-diglucoside ChEBI
Manual Xrefs Databases
28650550 ChemSpider
C00005438 KNApSAcK
HMDB0037356 HMDB
LMPK12112204 LIPID MAPS
View more database links
Registry Numbers Types Sources
42900-82-3 CAS Registry Number KNApSAcK
9684271 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
25466012 PubMed citation Europe PMC
Last Modified
15 November 2016