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quercetin 3-O-beta-D-glucopyranoside

http://purl.obolibrary.org/obo/CHEBI_68352

A quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 3. Isolated from Lepisorus contortus, it exhibits antineoplastic activity.

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Term info

Label

quercetin 3-O-beta-D-glucopyranoside

Synonyms

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

database cross reference

Subsets

3_STAR

IUPAC NAME

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside [ IUPAC ]

charge

formula

C21H20O12

has obo namespace

chebi_ontology

has related synonym

2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, isoquercetin, Isotrifoliin, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Isoquercitrin

CHEBI:68352

inchi

InChI=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/t13-,15-,17+,18-,21+/m1/s1

inchikey

OVSQVDMCBVZWGM-QSOFNFLRSA-N

mass

464.37630

monoisotopicmass

464.09548

smiles

OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O

Term relations

Subclass of:

Related from:

is conjugate base of

quercetin 3-O-beta-D-glucopyranoside(1-)