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CHEBI:193820 - [4-(3-oxopropyl)phenyl]oxidanesulfonic acid

ChEBI IDCHEBI:193820
ChEBI Name[4-(3-oxopropyl)phenyl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H10O5S
Net Charge0
Average Mass230.241
Monoisotopic Mass230.02489
SMILESO=CCCc1ccc(OS(=O)(=O)O)cc1
InChIInChI=1S/C9H10O5S/c10-7-1-2-8-3-5-9(6-4-8)14-15(11,12)13/h3-7H,1-2H2,(H,11,12,13)
InChIKeyJMFHXJUNEGARRL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
[4-(3-oxopropyl)phenyl]oxidanesulfonic acid (CHEBI:193820) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
[4-(3-oxopropyl)phenyl] hydrogen sulate
Manual XrefsDatabases
74853786ChemSpider