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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:43 UTC
Update Date2025-03-25 00:51:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186989
Frequency0.5
Structure
Chemical FormulaC11H2F21NO3S
Molecular Mass626.942
SMILESNS(=O)(=O)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyLEBHMGZISHBHSC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfonic acids and derivatives
Subclass organosulfonic acids and derivatives
Direct Parent acylsulfonic acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • aminosulfonyl compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic nitrogen compounds
  • organic oxides
  • organic sulfonamides
  • organofluorides
  • organosulfonamides
  • thiolactones
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • aminosulfonyl compound
  • alkyl fluoride
  • organofluoride
  • acylsulfonic acid or derivatives
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • organosulfonic acid amide
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic sulfonic acid amide
  • thiolactone
  • organooxygen compound