CHEBI:176466 - Dihydrocaffeic acid 3-O-glucuronide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Dihydrocaffeic acid 3-O-glucuronide
ChEBI ID CHEBI:176466
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H18O10
Net Charge 0
Average Mass 358.299
Monoisotopic Mass 358.09000
InChI InChI=1S/C15H18O10/c16-7-3-1-6(2-4-9(17)18)5-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1,3,5,10-13,15-16,19-21H,2,4H2,(H,17,18)(H,22,23)/t10-,11-,12+,13-,15+/m0/s1
InChIKey AELQNMHOLDHBFA-DKBOKBLXSA-N
SMILES O1[C@@H](OC=2C=C(CCC(O)=O)C=CC2O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study
ChEBI Ontology
Outgoing Dihydrocaffeic acid 3-O-glucuronide (CHEBI:176466) is a glycoside (CHEBI:24400)
IUPAC Name
(2S,3S,4S,5R,6S)-6-[5-(2-carboxyethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xrefs Databases
30777618 ChemSpider
HMDB0041720 HMDB
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