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CHEBI:75827 - myricetin 4'-O-α-D-glucopyranoside

Default Structure
ChEBI IDCHEBI:75827
ChEBI Namemyricetin 4'-O-α-D-glucopyranoside
Stars
ASCII Namemyricetin 4'-O-alpha-D-glucopyranoside
DefinitionA myricetin O-glucoside that is myricetin with a α-D-glucosyl residue attached at position 4'.
Last Modified28 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC21H20O13
Net Charge0
Average Mass480.378
Monoisotopic Mass480.09039
SMILESO=c1c(O)c(-c2cc(O)c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12
InChIInChI=1S/C21H20O13/c22-5-12-14(27)16(29)18(31)21(33-12)34-20-9(25)1-6(2-10(20)26)19-17(30)15(28)13-8(24)3-7(23)4-11(13)32-19/h1-4,12,14,16,18,21-27,29-31H,5H2/t12-,14-,16+,18-,21-/m1/s1
InChIKeyKNPOVLHCWHDBKU-UBIJYSGJSA-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)
myricetin 4'-O-α-D-glucopyranoside (CHEBI:75827) has functional parent α-D-glucose (CHEBI:17925)
myricetin 4'-O-α-D-glucopyranoside (CHEBI:75827) has role metabolite (CHEBI:25212)
myricetin 4'-O-α-D-glucopyranoside (CHEBI:75827) is a flavonols (CHEBI:28802)
myricetin 4'-O-α-D-glucopyranoside (CHEBI:75827) is a monosaccharide derivative (CHEBI:63367)
myricetin 4'-O-α-D-glucopyranoside (CHEBI:75827) is a myricetin O-glucoside (CHEBI:75812)
myricetin 4'-O-α-D-glucopyranoside (CHEBI:75827) is a pentahydroxyflavone (CHEBI:25883)
myricetin 4'-O-α-D-glucopyranoside (CHEBI:75827) is a α-D-glucoside (CHEBI:22390)
IUPAC Name 
2,6-dihydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl α-D-glucopyranoside
Registry NumbersSources
Reaxys:10505965Reaxys