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3-O-methylquercetin 7-O-beta-glucopyranosyl-4'-O-beta-D-glucopyranoside

Go to external page http://purl.obolibrary.org/obo/CHEBI_67938

A glycosyloxyflavone that is 3-O-methylquercetin attached to beta-D-glucopyranosyl residues at positions 7 and 4' respectively via glycosidic linkages. It has been isolated from Ophioglossum pedunculosum.

Term info

Label

3-O-methylquercetin 7-O-beta-glucopyranosyl-4'-O-beta-D-glucopyranoside

Synonyms
  • 4-[7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-methoxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl beta-D-glucopyranoside
database cross reference
Subsets

3_STAR

IUPAC NAME
4-[7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-methoxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl beta-D-glucopyranoside [ IUPAC ]

charge

0

formula

C28H32O17

has obo namespace

chebi_ontology

id

CHEBI:67938

inchi

InChI=1S/C28H32O17/c1-40-26-20(35)17-12(32)5-10(41-27-23(38)21(36)18(33)15(7-29)44-27)6-14(17)42-25(26)9-2-3-13(11(31)4-9)43-28-24(39)22(37)19(34)16(8-30)45-28/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3/t15-,16-,18-,19-,21+,22+,23-,24-,27-,28-/m1/s1

inchikey

XEHNPVYZNPRTMA-GZKNRDGBSA-N

mass

640.54350

monoisotopicmass

640.16395

smiles

COc1c(oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O)-c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1