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CHEBI:176468 - Dihydro isoferulate 3-O-sulfate

ChEBI IDCHEBI:176468
ChEBI NameDihydro isoferulate 3-O-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O7S
Net Charge0
Average Mass276.266
Monoisotopic Mass276.03037
SMILESCOc1ccc(CCC(=O)O)cc1OS(=O)(=O)O
InChIInChI=1S/C10H12O7S/c1-16-8-4-2-7(3-5-10(11)12)6-9(8)17-18(13,14)15/h2,4,6H,3,5H2,1H3,(H,11,12)(H,13,14,15)
InChIKeyQZIYZVFIROFZCV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS2295)
ChEBI Ontology
Outgoing Relation(s)
Dihydro isoferulate 3-O-sulfate (CHEBI:176468) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
3-(4-methoxy-3-sulooxyphenyl)propanoic acid
Manual XrefsDatabases
HMDB0131144HMDB
35805171ChemSpider