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CHEBI:75752 - isorhamnetin 7-O-β-D-glucopyranoside

ChEBI IDCHEBI:75752
ChEBI Nameisorhamnetin 7-O-β-D-glucopyranoside
Stars
ASCII Nameisorhamnetin 7-O-beta-D-glucopyranoside
DefinitionA glycosyloxyflavone that is isorhamnetin substituted at position 7 by a β-D-glucosyl residue.
Last Modified28 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC22H22O12
Net Charge0
Average Mass478.406
Monoisotopic Mass478.11113
SMILESCOc1cc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O)ccc1O
InChIInChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)24)21-19(29)17(27)15-11(25)5-9(6-13(15)33-21)32-22-20(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-/m1/s1
InChIKeyYCUNOXSUHVGZRI-XMHBHJPISA-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 7-O-β-D-glucopyranoside (CHEBI:75752) has functional parent isorhamnetin (CHEBI:6052)
isorhamnetin 7-O-β-D-glucopyranoside (CHEBI:75752) has functional parent β-D-glucose (CHEBI:15903)
isorhamnetin 7-O-β-D-glucopyranoside (CHEBI:75752) has role metabolite (CHEBI:25212)
isorhamnetin 7-O-β-D-glucopyranoside (CHEBI:75752) is a glycosyloxyflavone (CHEBI:50018)
isorhamnetin 7-O-β-D-glucopyranoside (CHEBI:75752) is a monomethoxyflavone (CHEBI:25401)
isorhamnetin 7-O-β-D-glucopyranoside (CHEBI:75752) is a monosaccharide derivative (CHEBI:63367)
isorhamnetin 7-O-β-D-glucopyranoside (CHEBI:75752) is a trihydroxyflavone (CHEBI:27116)
isorhamnetin 7-O-β-D-glucopyranoside (CHEBI:75752) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside
Registry NumbersSources
Reaxys:1277278Reaxys
CAS:6743-96-0ChemIDplus