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CHEBI:75807 - myricetin 3-O-glucuronide

ChEBI IDCHEBI:75807
ChEBI Namemyricetin 3-O-glucuronide
Stars
ASCII Namemyricetin 3-O-glucuronide
DefinitionA myricetin O-glucuronide that is myricetin with a β-D-glucosiduronic acid residue attached at the 3-position.
Last Modified28 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC21H18O14
Net Charge0
Average Mass494.361
Monoisotopic Mass494.06966
SMILESO=C(O)[C@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H18O14/c22-6-3-7(23)11-10(4-6)33-17(5-1-8(24)12(26)9(25)2-5)18(13(11)27)34-21-16(30)14(28)15(29)19(35-21)20(31)32/h1-4,14-16,19,21-26,28-30H,(H,31,32)/t14-,15-,16+,19-,21+/m0/s1
InChIKeyMBWOCQLTCWTIJE-ZUGPOPFOSA-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 3-O-glucuronide (CHEBI:75807) has role metabolite (CHEBI:25212)
myricetin 3-O-glucuronide (CHEBI:75807) is a monosaccharide derivative (CHEBI:63367)
myricetin 3-O-glucuronide (CHEBI:75807) is a myricetin O-glucuronide (CHEBI:75806)
myricetin 3-O-glucuronide (CHEBI:75807) is a pentahydroxyflavone (CHEBI:25883)
IUPAC Name 
5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl β-D-glucopyranosiduronic acid
Synonyms  Source
myricetin 3-O-β-D-glucopyranosiduronic acidChEBI
myricetin 3-O-β-D-glucoronopyranosideChEBI
Manual XrefsDatabases
LMPK12112437LIPID MAPS
Registry NumbersSources
Reaxys:7401903Reaxys