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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:07 UTC
Update Date2025-03-25 00:54:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203794
Frequency0.5
Structure
Chemical FormulaC9H4F16O2
Molecular Mass447.9956
SMILESOCC(O)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyHJYKQUXIPSNUGI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-diols
  • alkyl fluorides
  • fluorohydrins
  • hydrocarbon derivatives
  • organofluorides
    • Substituents
  • aliphatic acyclic compound
  • halohydrin
  • alkyl fluoride
  • organofluoride
  • fluorohydrin
  • organohalogen compound
  • tertiary alcohol
  • alkyl halide
  • hydrocarbon derivative
  • 1,2-diol