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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:38 UTC
Update Date2025-03-21 18:39:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123794
Frequency20.8
Structure
Chemical FormulaC11H2F22O3S
Molecular Mass631.9373
SMILESO=S(=O)(O)C(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)C(F)(F)F
InChI KeyLBNSFNVVWONCDE-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
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • sulfonyls
    • Substituents
  • aliphatic acyclic compound
  • alkyl fluoride
  • organofluoride
  • organosulfonic acid
  • organosulfur compound
  • organohalogen compound
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative