CHEBI:75807 - myricetin 3-O-glucuronide

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ChEBI Name myricetin 3-O-glucuronide
ChEBI ID CHEBI:75807
ChEBI ASCII Name myricetin 3-O-glucuronide
Definition A myricetin O-glucuronide that is myricetin with a β-D-glucosiduronic acid residue attached at the 3-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H18O14
Net Charge 0
Average Mass 494.35920
Monoisotopic Mass 494.06966
InChI InChI=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
InChIKey MBWOCQLTCWTIJE-ZUGPOPFOSA-N
SMILES O[C@H]1[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
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-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 Sources
myricetin 3-O-β-D-glucopyranosiduronic acid ChEBI
myricetin 3-O-β-D-glucoronopyranoside ChEBI
Manual Xref Database
LMPK12112437 LIPID MAPS
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Registry Number Type Source
7401903 Reaxys Registry Number Reaxys
Last Modified
28 November 2013