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CHEBI:193827 - [2-hydroxy-3-(3-oxopropyl)phenyl]oxidanesulfonic acid

ChEBI IDCHEBI:193827
ChEBI Name[2-hydroxy-3-(3-oxopropyl)phenyl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H10O6S
Net Charge0
Average Mass246.240
Monoisotopic Mass246.01981
SMILESO=CCCc1cccc(OS(=O)(=O)O)c1O
InChIInChI=1S/C9H10O6S/c10-6-2-4-7-3-1-5-8(9(7)11)15-16(12,13)14/h1,3,5-6,11H,2,4H2,(H,12,13,14)
InChIKeyXJXQKZVJLAXESB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
[2-hydroxy-3-(3-oxopropyl)phenyl]oxidanesulfonic acid (CHEBI:193827) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
[2-hydroxy-3-(3-oxopropyl)phenyl] hydrogen sulate
Manual XrefsDatabases
74853565ChemSpider