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CHEBI:144437 - quercetin 3-O-β-D-glucopyranoside(1−)

ChEBI IDCHEBI:144437
ChEBI Namequercetin 3-O-β-D-glucopyranoside(1−)
Stars
ASCII Namequercetin 3-O-beta-D-glucopyranoside(1-)
DefinitionA flavonoid oxoanion resulting from the deprotonation of the hydroxy group at position 7 of the flavone moiety of quercetin. The major species at pH 7.3.
Last Modified10 January 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H19O12
Net Charge-1
Average Mass463.371
Monoisotopic Mass463.08820
SMILESO=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc([O-])cc(O)c12
InChIInChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/p-1/t13-,15-,17+,18-,21+/m1/s1
InChIKeyOVSQVDMCBVZWGM-QSOFNFLRSA-M
ChEBI Ontology
Outgoing Relation(s)
quercetin 3-O-β-D-glucopyranoside(1−) (CHEBI:144437) is a flavonoid oxoanion (CHEBI:60038)
quercetin 3-O-β-D-glucopyranoside(1−) (CHEBI:144437) is conjugate base of quercetin 3-O-β-D-glucopyranoside (CHEBI:68352)
Incoming Relation(s)
quercetin 3-O-β-D-glucopyranoside (CHEBI:68352) is conjugate acid of quercetin 3-O-β-D-glucopyranoside(1−) (CHEBI:144437)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-7-olate
UniProt Name  Source
quercetin 3-O-β-D-glucosideUniProt