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CHEBI:193819 - [3-(3-oxopropyl)phenyl]oxidanesulfonic acid

Default Structure
ChEBI IDCHEBI:193819
ChEBI Name[3-(3-oxopropyl)phenyl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H10O5S
Net Charge0
Average Mass230.241
Monoisotopic Mass230.02489
SMILESO=CCCc1cccc(OS(=O)(=O)O)c1
InChIInChI=1S/C9H10O5S/c10-6-2-4-8-3-1-5-9(7-8)14-15(11,12)13/h1,3,5-7H,2,4H2,(H,11,12,13)
InChIKeyJGYOPZNMOBMYHT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
[3-(3-oxopropyl)phenyl]oxidanesulfonic acid (CHEBI:193819) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
[3-(3-oxopropyl)phenyl] hydrogen sulate
Manual XrefsDatabases
74853785ChemSpider