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CHEBI:166633 - Myricetin 3-glucuronide

ChEBI IDCHEBI:166633
ChEBI NameMyricetin 3-glucuronide
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SubmitterMetaboLights
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(O)C(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-ROQVLGAUSA-N
ChEBI Ontology
Outgoing Relation(s)
Myricetin 3-glucuronide (CHEBI:166633) is a flavonoids (CHEBI:72544)
Myricetin 3-glucuronide (CHEBI:166633) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,6S)-6-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
LMPK12112437LIPID MAPS
24845125ChemSpider