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CHEBI:75750 - isorhamnetin 3-O-β-D-glucopyranoside

ChEBI IDCHEBI:75750
ChEBI Nameisorhamnetin 3-O-β-D-glucopyranoside
Stars
ASCII Nameisorhamnetin 3-O-beta-D-glucopyranoside
DefinitionA glycosyloxyflavone that is isorhamnetin substituted at position 3 by a β-D-glucosyl residue.
Last Modified28 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC22H22O12
Net Charge0
Average Mass478.406
Monoisotopic Mass478.11113
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
InChIInChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1
InChIKeyCQLRUIIRRZYHHS-LFXZADKFSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
isorhamnetin 3-O-β-D-glucopyranoside (CHEBI:75750) has functional parent isorhamnetin (CHEBI:6052)
isorhamnetin 3-O-β-D-glucopyranoside (CHEBI:75750) has functional parent β-D-glucose (CHEBI:15903)
isorhamnetin 3-O-β-D-glucopyranoside (CHEBI:75750) has role metabolite (CHEBI:25212)
isorhamnetin 3-O-β-D-glucopyranoside (CHEBI:75750) is a glycosyloxyflavone (CHEBI:50018)
isorhamnetin 3-O-β-D-glucopyranoside (CHEBI:75750) is a monomethoxyflavone (CHEBI:25401)
isorhamnetin 3-O-β-D-glucopyranoside (CHEBI:75750) is a monosaccharide derivative (CHEBI:63367)
isorhamnetin 3-O-β-D-glucopyranoside (CHEBI:75750) is a trihydroxyflavone (CHEBI:27116)
isorhamnetin 3-O-β-D-glucopyranoside (CHEBI:75750) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl β-D-glucopyranoside
Registry NumbersSources
Reaxys:1303772Reaxys