CHEBI:75823 - myricetin 3-O-α-D-glucopyranoside

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ChEBI Name myricetin 3-O-α-D-glucopyranoside
ChEBI ID CHEBI:75823
ChEBI ASCII Name myricetin 3-O-alpha-D-glucopyranoside
Definition A myricetin O-glucoside that is myricetin with a α-D-glucosyl residue attached at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H20O13
Net Charge 0
Average Mass 480.37570
Monoisotopic Mass 480.09039
InChI InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21-/m1/s1
InChIKey FOHXFLPXBUAOJM-QUCXHVEGSA-N
SMILES OC[C@H]1O[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[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 myricetin 3-O-α-D-glucopyranoside (CHEBI:75823) has functional parent α-D-glucose (CHEBI:17925)
myricetin 3-O-α-D-glucopyranoside (CHEBI:75823) has role metabolite (CHEBI:25212)
myricetin 3-O-α-D-glucopyranoside (CHEBI:75823) is a α-D-glucoside (CHEBI:22390)
myricetin 3-O-α-D-glucopyranoside (CHEBI:75823) is a monosaccharide derivative (CHEBI:63367)
myricetin 3-O-α-D-glucopyranoside (CHEBI:75823) is a myricetin O-glucoside (CHEBI:75812)
myricetin 3-O-α-D-glucopyranoside (CHEBI:75823) is a pentahydroxyflavone (CHEBI:25883)
IUPAC Name
5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl α-D-glucopyranoside
Registry Number Type Source
5895102 Reaxys Registry Number Reaxys
Last Modified
28 November 2013