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CHEBI:229926 - {[5-(4-methoxyphenyl)-3-oxopentan-2-yl]oxy}sulfonic acid

ChEBI IDCHEBI:229926
ChEBI Name{[5-(4-methoxyphenyl)-3-oxopentan-2-yl]oxy}sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O6S
Net Charge0
Average Mass288.321
Monoisotopic Mass288.06676
SMILESCOc1ccc(CCC(=O)C(C)OS(=O)(=O)O)cc1
InChIInChI=1S/C12H16O6S/c1-9(18-19(14,15)16)12(13)8-5-10-3-6-11(17-2)7-4-10/h3-4,6-7,9H,5,8H2,1-2H3,(H,14,15,16)
InChIKeyJLWTWYKAYOHXEM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
{[5-(4-methoxyphenyl)-3-oxopentan-2-yl]oxy}sulfonic acid (CHEBI:229926) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
[5-(4-methoxyphenyl)-3-oxopentan-2-yl] hydrogen sulate
Manual XrefsDatabases
74853081ChemSpider