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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:05 UTC
Update Date2025-03-25 00:57:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224641
Frequency0.5
Structure
Chemical FormulaC7H2F13NO2S
Molecular Mass410.9599
SMILESNS(=O)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyMXHNSQKEYBWEGR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiolactones
Subclass thiolactones
Direct Parent thiolactones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • aminosulfinyl compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic nitrogen compounds
  • organic oxides
  • organofluorides
  • sulfinic acid amides
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • alkyl fluoride
  • organofluoride
  • sulfinic acid derivative
  • sulfinic acid amide
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • aminosulfinyl compound
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound
  • thiolactone
  • organooxygen compound