CHEBI:75826 - myricetin 3'-O-α-D-glucopyranoside

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ChEBI Name myricetin 3'-O-α-D-glucopyranoside
ChEBI ID CHEBI:75826
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 eMolecules:711823, eMolecules:29536451
Download Molfile XML SDF
Formula C21H20O13
Net Charge 0
Average Mass 480.37570
Monoisotopic Mass 480.09039
InChI InChI=1S/C21H20O13/c22-5-12-15(27)17(29)19(31)21(34-12)33-11-2-6(1-9(25)14(11)26)20-18(30)16(28)13-8(24)3-7(23)4-10(13)32-20/h1-4,12,15,17,19,21-27,29-31H,5H2/t12-,15-,17+,19-,21+/m1/s1
InChIKey ZJYAVUPWMNHHEU-HXMKQQMYSA-N
SMILES OC[C@H]1O[C@H](Oc2cc(cc(O)c2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[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:75826) has functional parent α-D-glucose (CHEBI:17925)
myricetin 3'-O-α-D-glucopyranoside (CHEBI:75826) has role metabolite (CHEBI:25212)
myricetin 3'-O-α-D-glucopyranoside (CHEBI:75826) is a α-D-glucoside (CHEBI:22390)
myricetin 3'-O-α-D-glucopyranoside (CHEBI:75826) is a flavonols (CHEBI:28802)
myricetin 3'-O-α-D-glucopyranoside (CHEBI:75826) is a monosaccharide derivative (CHEBI:63367)
myricetin 3'-O-α-D-glucopyranoside (CHEBI:75826) is a myricetin O-glucoside (CHEBI:75812)
myricetin 3'-O-α-D-glucopyranoside (CHEBI:75826) is a pentahydroxyflavone (CHEBI:25883)
IUPAC Name
2,3-dihydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl α-D-glucopyranoside
Registry Number Type Source
10505545 Reaxys Registry Number Reaxys
Last Modified
28 November 2013