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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:13 UTC
Update Date2025-03-25 00:54:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204045
Frequency0.5
Structure
Chemical FormulaC12H4F22O2
Molecular Mass597.986
SMILESOC(C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChI KeyXBMACDQMRXPCKX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganohalogen compounds
Classhalohydrins
Subclass fluorohydrins
Direct Parent fluorohydrins
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-diols
  • alkyl fluorides
  • hydrocarbon derivatives
  • organofluorides
  • secondary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • alkyl fluoride
  • organofluoride
  • fluorohydrin
  • organic oxygen compound
  • secondary alcohol
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound
  • 1,2-diol