CHEBI:75808 - myricetin 5-O-glucuronide

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ChEBI Name myricetin 5-O-glucuronide
ChEBI ID CHEBI:75808
ChEBI ASCII Name myricetin 5-O-glucuronide
Definition A myricetin O-glucuronide that is myricetin with a β-D-glucosiduronic acid residue attached at the 5-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/c22-6-3-9-11(10(4-6)34-21-17(30)14(27)16(29)19(35-21)20(31)32)13(26)15(28)18(33-9)5-1-7(23)12(25)8(24)2-5/h1-4,14,16-17,19,21-25,27-30H,(H,31,32)/t14-,16-,17+,19-,21+/m0/s1
InChIKey XGWJLEVLXQJUCL-JENRNSKYSA-N
SMILES O[C@H]1[C@H](Oc2cc(O)cc3oc(-c4cc(O)c(O)c(O)c4)c(O)c(=O)c23)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 5-O-glucuronide (CHEBI:75808) has role metabolite (CHEBI:25212)
myricetin 5-O-glucuronide (CHEBI:75808) is a flavonols (CHEBI:28802)
myricetin 5-O-glucuronide (CHEBI:75808) is a monosaccharide derivative (CHEBI:63367)
myricetin 5-O-glucuronide (CHEBI:75808) is a myricetin O-glucuronide (CHEBI:75806)
myricetin 5-O-glucuronide (CHEBI:75808) is a pentahydroxyflavone (CHEBI:25883)
IUPAC Name
3,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-5-yl β-D-glucopyranosiduronic acid
Synonyms Sources
myricetin 5-O-β-D-glucopyranosiduronic acid ChEBI
myricetin 5-O-β-D-glucoronopyranoside ChEBI
Last Modified
28 November 2013