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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:49 UTC
Update Date2025-03-25 00:53:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02198516
Frequency0.5
Structure
Chemical FormulaC9H8F11NO3S
Molecular Mass419.0049
SMILESC=C(O)CN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyICQRBKKKZKXOBR-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
  • alkanolamines
  • alkyl fluorides
  • aminosulfonyl compounds
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfonamides
    • Substituents
  • aliphatic acyclic compound
  • organosulfonic acid or derivatives
  • aminosulfonyl compound
  • alkyl fluoride
  • organofluoride
  • organosulfur compound
  • organohalogen compound
  • organosulfonic acid amide
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic sulfonic acid amide
  • organooxygen compound
  • alkanolamine