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

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ChEBI Name isorhamnetin 3-O-β-D-glucopyranoside
ChEBI ID CHEBI:75750
ChEBI ASCII Name isorhamnetin 3-O-beta-D-glucopyranoside
Definition A glycosyloxyflavone that is isorhamnetin substituted at position 3 by a β-D-glucosyl residue.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H22O12
Net Charge 0
Average Mass 478.40290
Monoisotopic Mass 478.11113
InChI InChI=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
InChIKey CQLRUIIRRZYHHS-LFXZADKFSA-N
SMILES COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 functional parent isorhamnetin (CHEBI:6052)
isorhamnetin 3-O-β-D-glucopyranoside (CHEBI:75750) has role metabolite (CHEBI:25212)
isorhamnetin 3-O-β-D-glucopyranoside (CHEBI:75750) is a β-D-glucoside (CHEBI:22798)
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)
IUPAC Name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl β-D-glucopyranoside
Registry Number Type Source
1303772 Reaxys Registry Number Reaxys
Last Modified
28 November 2013