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CHEBI:75809 - myricetin 7-O-glucuronide

ChEBI IDCHEBI:75809
ChEBI Namemyricetin 7-O-glucuronide
Stars
ASCII Namemyricetin 7-O-glucuronide
DefinitionA myricetin O-glucuronide that is myricetin with a β-D-glucosiduronic acid residue attached at the 7-position.
Last Modified28 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC21H18O14
Net Charge0
Average Mass494.361
Monoisotopic Mass494.06966
SMILESO=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O)c(-c4cc(O)c(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H18O14/c22-7-3-6(33-21-17(30)14(27)16(29)19(35-21)20(31)32)4-10-11(7)13(26)15(28)18(34-10)5-1-8(23)12(25)9(24)2-5/h1-4,14,16-17,19,21-25,27-30H,(H,31,32)/t14-,16-,17+,19-,21+/m0/s1
InChIKeyVNDJCGMKSHKEIZ-JENRNSKYSA-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 7-O-glucuronide (CHEBI:75809) has role metabolite (CHEBI:25212)
myricetin 7-O-glucuronide (CHEBI:75809) is a flavonols (CHEBI:28802)
myricetin 7-O-glucuronide (CHEBI:75809) is a monosaccharide derivative (CHEBI:63367)
myricetin 7-O-glucuronide (CHEBI:75809) is a myricetin O-glucuronide (CHEBI:75806)
myricetin 7-O-glucuronide (CHEBI:75809) is a pentahydroxyflavone (CHEBI:25883)
IUPAC Name 
3,5-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-7-yl β-D-glucopyranosiduronic acid
Synonyms  Source
myricetin 7-O-β-D-glucoronopyranosideChEBI
myricetin 7-O-β-D-glucopyranosiduronic acidChEBI