CHEBI:166633 - Myricetin 3-glucuronide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Myricetin 3-glucuronide
ChEBI ID CHEBI:166633
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H18O14
Net Charge 0
Average Mass 494.361
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-ROQVLGAUSA-N
SMILES O1[C@@H](OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C(O)=C4)C(O)C(O)[C@H](O)[C@H]1C(O)=O
ChEBI Ontology
Outgoing 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
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LMPK12112437 LIPID MAPS
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