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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:53:28 UTC
Update Date2025-03-21 18:03:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00046906
Frequency71.2
Structure
Chemical FormulaC6H3F13O3S
Molecular Mass401.9595
SMILESO=[SH](O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyUSSTWXDOCZGGQP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthiols
Subclass alkylthiols
Direct Parent alkylthiols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • organosulfur compounds
    • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • organic oxygen compound
  • alkyl fluoride
  • organofluoride
  • alkyl halide
  • hydrocarbon derivative
  • organohalogen compound
  • alkylthiol