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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:39:28 UTC
Update Date2025-03-24 20:50:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01585218
Frequency0.8
Structure
Chemical FormulaC5H7F2O2-
Molecular Mass137.042
SMILESCC(C)C(=O)C([O-])(F)F
InChI KeyMCUMOUDRDYGJDN-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
  • alkoxides
  • alkyl fluorides
  • hydrocarbon derivatives
  • organic anions
  • organic oxides
  • organofluorides
    • Substituents
  • aliphatic acyclic compound
  • alkyl fluoride
  • organofluoride
  • organohalogen compound
  • organic oxide
  • organic anion
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative
  • alkoxide