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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:43 UTC
Update Date2025-03-25 00:51:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186994
Frequency0.5
Structure
Chemical FormulaC7H2F13NO3S
Molecular Mass426.9548
SMILESNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)F
InChI KeyQRXKFTDSPCRUMQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfonic acids and derivatives
Subclass organic sulfonamides
Direct Parent organic sulfonamides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acyl fluorides
  • alkyl fluorides
  • aminosulfonyl compounds
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic nitrogen compounds
  • organic oxides
  • organofluorides
  • organosulfonamides
    • Substituents
  • aliphatic acyclic compound
  • organosulfonic acid or derivatives
  • carbonyl group
  • aminosulfonyl compound
  • alkyl fluoride
  • organofluoride
  • acyl fluoride
  • organosulfur compound
  • organohalogen compound
  • acyl halide
  • organosulfonic acid amide
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic sulfonic acid amide
  • organooxygen compound