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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:12 UTC
Update Date2025-03-25 00:57:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222632
Frequency0.5
Structure
Chemical FormulaC9H5F17O2S
Molecular Mass499.9739
SMILESO=S(F)(F)(CCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyUBFNMMVCNUAQLN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganohalogen compounds
Classalkyl halides
Subclass alkyl fluorides
Direct Parent alkyl fluorides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • organosulfur compounds
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • organic oxide
  • organic oxygen compound
  • alkyl fluoride
  • organofluoride
  • hydrocarbon derivative
  • organosulfur compound
  • organooxygen compound