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CHEBI:179839 - Isoferulic acid 3-sulfate

ChEBI IDCHEBI:179839
ChEBI NameIsoferulic acid 3-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H10O7S
Net Charge0
Average Mass274.250
Monoisotopic Mass274.01472
SMILESCOc1ccc(/C=C/C(=O)O)cc1OS(=O)(=O)O
InChIInChI=1S/C10H10O7S/c1-16-8-4-2-7(3-5-10(11)12)6-9(8)17-18(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b5-3+
InChIKeyDCMKMHVTKFJMAU-HWKANZROSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS3233)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Isoferulic acid 3-sulfate (CHEBI:179839) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(E)-3-(4-methoxy-3-sulooxyphenyl)prop-2-enoic acid
Manual XrefsDatabases
30777634ChemSpider
HMDB0041748HMDB