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CHEBI:229930 - [4-(3-oxopentyl)phenyl]oxidanesulfonic acid

ChEBI IDCHEBI:229930
ChEBI Name[4-(3-oxopentyl)phenyl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O5S
Net Charge0
Average Mass258.295
Monoisotopic Mass258.05619
SMILESCCC(=O)CCc1ccc(OS(=O)(=O)O)cc1
InChIInChI=1S/C11H14O5S/c1-2-10(12)6-3-9-4-7-11(8-5-9)16-17(13,14)15/h4-5,7-8H,2-3,6H2,1H3,(H,13,14,15)
InChIKeyFDQVIRFJKZHGGU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
[4-(3-oxopentyl)phenyl]oxidanesulfonic acid (CHEBI:229930) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
[4-(3-oxopentyl)phenyl] hydrogen sulate
Manual XrefsDatabases
74853082ChemSpider