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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:59 UTC
Update Date2025-03-25 00:51:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189882
Frequency0.5
Structure
Chemical FormulaC10H6F16OS
Molecular Mass477.9884
SMILESC=CC[SH](=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyTXDIIONESHDKJT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classallyl sulfur compounds
Subclass allyl sulfur compounds
Direct Parent allyl sulfur compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • alkylthiols
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
    • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • organic oxygen compound
  • alkyl fluoride
  • organofluoride
  • allyl sulfur compound
  • alkyl halide
  • hydrocarbon derivative
  • organohalogen compound
  • alkylthiol