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CHEBI:185454 - Caffeoyl C1-glucuronide

ChEBI IDCHEBI:185454
ChEBI NameCaffeoyl C1-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O10
Net Charge0
Average Mass356.283
Monoisotopic Mass356.07435
SMILESO=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H16O10/c16-7-3-1-6(5-8(7)17)2-4-9(18)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-5,10-13,15-17,19-21H,(H,22,23)/b4-2+/t10-,11-,12+,13-,15+/m0/s1
InChIKeyVMGJMCCDXJNCOK-ZYZFHZPYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Caffeoyl C1-glucuronide (CHEBI:185454) has functional parent hydroxycinnamic acid (CHEBI:24689)
Caffeoyl C1-glucuronide (CHEBI:185454) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0041709HMDB
30777609ChemSpider