quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside] (CHEBI:32081)

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CHEBI:32081 - quercetin 3-O-[β-D-xylosyl-(1→2)-β-D-glucoside]

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ChEBI ID	CHEBI:32081
ChEBI Name	quercetin 3-O-[β-D-xylosyl-(1→2)-β-D-glucoside]
Stars
ASCII Name	quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside]
Definition	A quercetin O-glucoside that is quercetin attached to a β-D-sambubiosyl residue at position 3 via a glycosidc linkage.
Last Modified	9 January 2014
Downloads	Molfile

Formula	C26H28O16
Net Charge	0
Average Mass	596.494
Monoisotopic Mass	596.13773
SMILES	O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
InChI	InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1
InChIKey	NKFZLEYLWAFYEH-CJNLAGEVSA-N

Roles Classification

Chemical Role:	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role:	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology

Outgoing Relation(s)
	quercetin 3-O-[β-D-xylosyl-(1→2)-β-D-glucoside] (CHEBI:32081) has role antioxidant (CHEBI:22586)
	quercetin 3-O-[β-D-xylosyl-(1→2)-β-D-glucoside] (CHEBI:32081) has role plant metabolite (CHEBI:76924)
	quercetin 3-O-[β-D-xylosyl-(1→2)-β-D-glucoside] (CHEBI:32081) is a disaccharide derivative (CHEBI:63353)
	quercetin 3-O-[β-D-xylosyl-(1→2)-β-D-glucoside] (CHEBI:32081) is a quercetin O-glucoside (CHEBI:64621)
	quercetin 3-O-[β-D-xylosyl-(1→2)-β-D-glucoside] (CHEBI:32081) is a tetrahydroxyflavone (CHEBI:38684)

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

Synonyms	Source
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy)-4H-1-benzopyran-4-one	ChemIDplus
quercetin 3-sambubioside	ChemIDplus

Manual Xrefs	Databases
C12637	KEGG COMPOUND
LMPK12112090	LIPID MAPS

Registry Numbers	Sources
Reaxys:4344863	Reaxys
CAS:83048-35-5	ChemIDplus

Citations