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CHEBI:193871 - {[(4E)-5-(4-methoxyphenyl)-3-oxopent-4-en-1-yl]oxy}sulfonic acid

ChEBI IDCHEBI:193871
ChEBI Name{[(4E)-5-(4-methoxyphenyl)-3-oxopent-4-en-1-yl]oxy}sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O6S
Net Charge0
Average Mass286.305
Monoisotopic Mass286.05111
SMILESCOc1ccc(/C=C/C(=O)CCOS(=O)(=O)O)cc1
InChIInChI=1S/C12H14O6S/c1-17-12-6-3-10(4-7-12)2-5-11(13)8-9-18-19(14,15)16/h2-7H,8-9H2,1H3,(H,14,15,16)/b5-2+
InChIKeyNNNPIGPZCVLJSQ-GORDUTHDSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
{[(4E)-5-(4-methoxyphenyl)-3-oxopent-4-en-1-yl]oxy}sulfonic acid (CHEBI:193871) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
[(E)-5-(4-methoxyphenyl)-3-oxopent-4-enyl] hydrogen sulate
Manual XrefsDatabases
74853079ChemSpider