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CHEBI:185922 - Isoferulic acid 3-O-glucuronide

ChEBI IDCHEBI:185922
ChEBI NameIsoferulic acid 3-O-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O10
Net Charge0
Average Mass370.310
Monoisotopic Mass370.09000
SMILESCOc1ccc(/C=C/C(=O)O)cc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H18O10/c1-24-8-4-2-7(3-5-10(17)18)6-9(8)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m0/s1
InChIKeySHJZLGVIOYFHCB-MBAOVNHDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Isoferulic acid 3-O-glucuronide (CHEBI:185922) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[5-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0041747HMDB
30777633ChemSpider