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CHEBI:67938 - 3-O-methylquercetin 7-O-β-glucopyranosyl-4'-O-β-D-glucopyranoside

ChEBI IDCHEBI:67938
ChEBI Name3-O-methylquercetin 7-O-β-glucopyranosyl-4'-O-β-D-glucopyranoside
Stars
ASCII Name3-O-methylquercetin 7-O-beta-glucopyranosyl-4'-O-beta-D-glucopyranoside
DefinitionA glycosyloxyflavone that is 3-O-methylquercetin attached to β-D-glucopyranosyl residues at positions 7 and 4' respectively via glycosidic linkages. It has been isolated from Ophioglossum pedunculosum.
Last Modified9 January 2014
DownloadsMolfile
FormulaC28H32O17
Net Charge0
Average Mass640.547
Monoisotopic Mass640.16395
SMILESCOc1c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O
InChIInChI=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
InChIKeyXEHNPVYZNPRTMA-GZKNRDGBSA-N
Species of MetaboliteComponentSourceComments
Ophioglossum pedunculosum (ncbitaxon:60874) whole plant (BTO:0001461) PubMed (21401115) 75% EtOH extract of dried whole plant
Roles Classification
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)
3-O-methylquercetin 7-O-β-glucopyranosyl-4'-O-β-D-glucopyranoside (CHEBI:67938) has functional parent 3',4',5,7-tetrahydroxy-3-methoxyflavone (CHEBI:16860)
3-O-methylquercetin 7-O-β-glucopyranosyl-4'-O-β-D-glucopyranoside (CHEBI:67938) has role plant metabolite (CHEBI:76924)
3-O-methylquercetin 7-O-β-glucopyranosyl-4'-O-β-D-glucopyranoside (CHEBI:67938) is a dihydroxyflavone (CHEBI:38686)
3-O-methylquercetin 7-O-β-glucopyranosyl-4'-O-β-D-glucopyranoside (CHEBI:67938) is a glycosyloxyflavone (CHEBI:50018)
3-O-methylquercetin 7-O-β-glucopyranosyl-4'-O-β-D-glucopyranoside (CHEBI:67938) is a monomethoxyflavone (CHEBI:25401)
3-O-methylquercetin 7-O-β-glucopyranosyl-4'-O-β-D-glucopyranoside (CHEBI:67938) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
4-[7-(β-D-glucopyranosyloxy)-5-hydroxy-3-methoxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl β-D-glucopyranoside
Registry NumbersSources
Reaxys:21523324Reaxys
Citations