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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:13 UTC
Update Date2025-03-25 01:00:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02240616
Frequency0.5
Structure
Chemical FormulaC6H4F6O2
Molecular Mass222.0115
SMILESCC(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChI KeyRPXLNSNMPLHDLQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta-diketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • alpha-haloketones
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
    • Substituents
  • aliphatic acyclic compound
  • alkyl fluoride
  • organofluoride
  • organohalogen compound
  • ketone
  • organic oxide
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative
  • 1,3-diketone