EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:67937 - 3-O-methylquercetin-7-O-β-D-glucopyranoside

Default Structure
ChEBI IDCHEBI:67937
ChEBI Name3-O-methylquercetin-7-O-β-D-glucopyranoside
Stars
ASCII Name3-O-methylquercetin-7-O-beta-D-glucopyranoside
DefinitionA quercetin O-glucoside that is 3-O-methylquercetin attached to a β-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has been isolated from Ophioglossum pedunculosum and Lepisorus contortus.
Last Modified26 November 2013
DownloadsMolfile
FormulaC22H22O12
Net Charge0
Average Mass478.406
Monoisotopic Mass478.11113
SMILESCOc1c(-c2ccc(O)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/C22H22O12/c1-31-21-17(28)15-12(26)5-9(32-22-19(30)18(29)16(27)14(7-23)34-22)6-13(15)33-20(21)8-2-3-10(24)11(25)4-8/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22-/m1/s1
InChIKeyLKXBGSZMRNJAST-UKWZQOBBSA-N
Species of MetaboliteComponentSourceComments
Lepisorus contortus (ncbitaxon:699669) whole plant (BTO:0001461) PubMed (21261296) 95% EtOH extract of air-dried, powdered whole plant
Ophioglossum pedunculosum (ncbitaxon:60874) whole plant (BTO:0001461) PubMed (21401115) 75% EtOH extract of dried whole plant
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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-D-glucopyranoside (CHEBI:67937) has role metabolite (CHEBI:25212)
3-O-methylquercetin-7-O-β-D-glucopyranoside (CHEBI:67937) has role plant metabolite (CHEBI:76924)
3-O-methylquercetin-7-O-β-D-glucopyranoside (CHEBI:67937) is a monosaccharide derivative (CHEBI:63367)
3-O-methylquercetin-7-O-β-D-glucopyranoside (CHEBI:67937) is a quercetin O-glucoside (CHEBI:64621)
3-O-methylquercetin-7-O-β-D-glucopyranoside (CHEBI:67937) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxy-4-oxo-4H-chromen-7-yl β-D-glucopyranoside
Synonym  Source
transilinChEBI
Registry NumbersSources
Reaxys:1277270Reaxys
Citations