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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:13 UTC
Update Date2025-03-25 00:47:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162945
Frequency0.5
Structure
Chemical FormulaC9H2F16O4S
Molecular Mass509.9418
SMILESO=C(C(F)(F)C(F)C(F)(F)C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyOVHIHCIFAMVWNE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfonic acids and derivatives
Subclass organosulfonic acids and derivatives
Direct Parent organosulfonic acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • alpha-haloketones
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • sulfonyls
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • alkyl fluoride
  • organofluoride
  • organosulfonic acid
  • organosulfur compound
  • organohalogen compound
  • ketone
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound