CHEBI:131497 - quercetin 3,7-di-O-β-D-glucoside

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ChEBI Name quercetin 3,7-di-O-β-D-glucoside
ChEBI ID CHEBI:131497
ChEBI ASCII Name quercetin 3,7-di-O-beta-D-glucoside
Definition A quercetin O-glucoside that is quercetin with two β-D-glucosyl residues attached at positions 3 and 7.
Stars This entity has been manually annotated by the ChEBI Team.
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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(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)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
InChIKey BNSCASRSSGJHQH-DEFKTLOSSA-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[C@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O)O)O
Metabolite of Species Details
Thalassodendron ciliatum (NCBI:txid1522122) See: PubMed
Delonix elata (NCBI:txid162737) See: PubMed
Bassia muricata (NCBI:txid267505) Found in aerial part (BTO:0001658). See: PubMed
Solanum lycopersicum (NCBI:txid4081) See: MetaboLights Study
Solanum habrochaites (NCBI:txid62890) See: MetaboLights Study
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 3,7-di-O-β-D-glucoside (CHEBI:131497) has role plant metabolite (CHEBI:76924)
quercetin 3,7-di-O-β-D-glucoside (CHEBI:131497) is a β-D-glucoside (CHEBI:22798)
quercetin 3,7-di-O-β-D-glucoside (CHEBI:131497) is a monosaccharide derivative (CHEBI:63367)
quercetin 3,7-di-O-β-D-glucoside (CHEBI:131497) is a polyphenol (CHEBI:26195)
quercetin 3,7-di-O-β-D-glucoside (CHEBI:131497) is a quercetin O-glucoside (CHEBI:64621)
quercetin 3,7-di-O-β-D-glucoside (CHEBI:131497) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name
2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-3-yl β-D-glucopyranoside
Synonyms Sources
3,7-Diglucosylquercetin ChemIDplus
Quercetin 3,7-diglucoside LIPID MAPS
quercetin 3,7-O-diglucoside ChEBI
Quercetin-3,7-O-beta-diglucopyranoside ChemIDplus
Manual Xrefs Databases
8297467 ChemSpider
CPD-8033 MetaCyc
LMPK12112100 LIPID MAPS
View more database links
Registry Numbers Types Sources
4345291 Reaxys Registry Number Reaxys
6892-74-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11454355 PubMed citation Europe PMC
24301889 PubMed citation Europe PMC
24443884 PubMed citation Europe PMC
26525033 PubMed citation Europe PMC
Last Modified
14 November 2016