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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:30 UTC
Update Date2025-03-25 00:48:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02168155
Frequency0.5
Structure
Chemical FormulaC9H3F15O
Molecular Mass411.9944
SMILESCC(F)(C(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeySUEOVUPFDLRNEQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-haloketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
    • Substituents
  • aliphatic acyclic compound
  • alkyl fluoride
  • organofluoride
  • organohalogen compound
  • organic oxide
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative