quercetin 7-O-beta-D-glucoside (CHEBI:28529)

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CHEBI:28529 - quercetin 7-O-β-D-glucoside

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ChEBI ID	CHEBI:28529
ChEBI Name	quercetin 7-O-β-D-glucoside
Stars
ASCII Name	quercetin 7-O-beta-D-glucoside
Definition	A quercetin O-glucoside in which a glucosyl residue is attached at position 7 of quercetin via a β-glycosidic linkage.
Secondary ChEBI IDs	CHEBI:8704, CHEBI:26480, CHEBI:32084
Last Modified	3 August 2014
Downloads	Molfile

Formula	C21H20O12
Net Charge	0
Average Mass	464.379
Monoisotopic Mass	464.09548
SMILES	O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
InChI	InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1
InChIKey	BBFYUPYFXSSMNV-HMGRVEAOSA-N

Roles Classification

Chemical Role:	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role:	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	quercetin 7-O-β-D-glucoside (CHEBI:28529) has role antioxidant (CHEBI:22586)
	quercetin 7-O-β-D-glucoside (CHEBI:28529) has role metabolite (CHEBI:25212)
	quercetin 7-O-β-D-glucoside (CHEBI:28529) is a flavonols (CHEBI:28802)
	quercetin 7-O-β-D-glucoside (CHEBI:28529) is a monosaccharide derivative (CHEBI:63367)
	quercetin 7-O-β-D-glucoside (CHEBI:28529) is a quercetin O-glucoside (CHEBI:64621)
	quercetin 7-O-β-D-glucoside (CHEBI:28529) is a tetrahydroxyflavone (CHEBI:38684)
	quercetin 7-O-β-D-glucoside (CHEBI:28529) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl β-D-glucopyranoside

Synonyms	Source
2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-4H-1-benzopyran-4-one	ChemIDplus
3,5-Dihydroxy-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-4H-1-benzopyran-4-one	ChemIDplus
Quercetin 7-O-beta-D-glucoside	KEGG COMPOUND
Quercetin 7-O-glucoside	KEGG COMPOUND
quercimeritrin	MetaCyc
Quercimeritroside	ChemIDplus

Manual Xrefs	Databases
C00005382	KNApSAcK
C12639	KEGG COMPOUND
CN101375937	Patent
CPD-8006	MetaCyc
LMPK12112179	LIPID MAPS

Registry Numbers	Sources
Reaxys:70125	Reaxys
CAS:491-50-9	KEGG COMPOUND
CAS:491-50-9	ChemIDplus

Citations