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CHEBI:75778 - isorhamnetin 4'-O-β-L-glucopyranoside

ChEBI IDCHEBI:75778
ChEBI Nameisorhamnetin 4'-O-β-L-glucopyranoside
Stars
ASCII Nameisorhamnetin 4'-O-beta-L-glucopyranoside
DefinitionA glycosyloxyflavone that is isorhamnetin substituted at position 4' by a β-L-glucosyl residue.
Last Modified23 December 2013
Submittermwilliams
DownloadsMolfile
FormulaC22H22O12
Net Charge0
Average Mass478.406
Monoisotopic Mass478.11113
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C22H22O12/c1-31-12-4-8(21-19(29)17(27)15-10(25)5-9(24)6-13(15)32-21)2-3-11(12)33-22-20(30)18(28)16(26)14(7-23)34-22/h2-6,14,16,18,20,22-26,28-30H,7H2,1H3/t14-,16-,18+,20-,22-/m0/s1
InChIKeyVTDBDVABTGGRMO-IBYIZXSESA-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 4'-O-β-L-glucopyranoside (CHEBI:75778) has functional parent isorhamnetin (CHEBI:6052)
isorhamnetin 4'-O-β-L-glucopyranoside (CHEBI:75778) has functional parent β-L-glucose (CHEBI:37631)
isorhamnetin 4'-O-β-L-glucopyranoside (CHEBI:75778) has role metabolite (CHEBI:25212)
isorhamnetin 4'-O-β-L-glucopyranoside (CHEBI:75778) is a glycosyloxyflavone (CHEBI:50018)
isorhamnetin 4'-O-β-L-glucopyranoside (CHEBI:75778) is a monomethoxyflavone (CHEBI:25401)
isorhamnetin 4'-O-β-L-glucopyranoside (CHEBI:75778) is a monosaccharide derivative (CHEBI:63367)
isorhamnetin 4'-O-β-L-glucopyranoside (CHEBI:75778) is a trihydroxyflavone (CHEBI:27116)
isorhamnetin 4'-O-β-L-glucopyranoside (CHEBI:75778) is a β-L-glucoside (CHEBI:75759)
IUPAC Name 
2-methoxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl β-L-glucopyranoside
Registry NumbersSources
Reaxys:22493767Reaxys