CHEBI:189722 - p-coumaric acid 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 p-coumaric acid glucuronide
ChEBI ID CHEBI:189722
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C15H16O9
Net Charge 0
Average Mass 340.284
Monoisotopic Mass 340.07943
InChI InChI=1S/C15H16O9/c16-9(17)6-3-7-1-4-8(5-2-7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-6,10-13,15,18-20H,(H,16,17)(H,21,22)/b6-3+/t10-,11-,12+,13-,15+/m0/s1
InChIKey SOKJXEKPKWKYKR-KPGYTNHDSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=C(C=C2)/C=C/C(O)=O)C(O)=O
ChEBI Ontology
Outgoing p-coumaric acid glucuronide (CHEBI:189722) is a glycoside (CHEBI:24400)
IUPAC Name
(2S,3S,4S,5R,6S)-6-[4-[(E)-2-carboxyethenyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
57422696 ChemSpider
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