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Record Information
HMDB Statuspredicted
Creation Date2024-02-21 00:19:54 UTC
Update Date2025-03-21 18:36:20 UTC
HMDB IDHMDB0135301
Metabolite Identification
DeepMet IDDMID00110134
Name[4-(3-oxopropyl)phenyl]oxidanesulfonic acid
Frequency24.2
Structure
Chemical FormulaC9H10O5S
Molecular Mass230.0249
SMILESO=CCCc1ccc(OS(=O)(=O)O)cc1
InChI KeyJMFHXJUNEGARRL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfuric acids and derivatives
Subclass arylsulfates
Direct Parent phenylsulfates
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha-hydrogen aldehydes
  • hydrocarbon derivatives
  • organic oxides
  • phenoxy compounds
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • aldehyde
  • aromatic homomonocyclic compound
  • phenylsulfate
  • organic oxide
  • organic oxygen compound
  • alpha-hydrogen aldehyde
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound