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CHEBI:176466 - Dihydrocaffeic acid 3-O-glucuronide

ChEBI IDCHEBI:176466
ChEBI NameDihydrocaffeic acid 3-O-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O10
Net Charge0
Average Mass358.299
Monoisotopic Mass358.09000
SMILESO=C(O)CCc1ccc(O)c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=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
InChIKeyAELQNMHOLDHBFA-DKBOKBLXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS2295)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
30777618ChemSpider
HMDB0041720HMDB