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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:00 UTC
Update Date2025-03-21 18:35:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105457
Frequency25.6
Structure
Chemical FormulaC7H8F4O3
Molecular Mass216.041
SMILESCC(C)C(=O)C(F)(F)C(F)(F)C(=O)O
InChI KeyCJOREZMGSXXXQC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classketo acids and derivatives
Subclass medium-chain keto acids and derivatives
Direct Parent medium-chain keto acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • alpha-halocarboxylic acids
  • alpha-haloketones
  • branched fatty acids
  • carboxylic acids
  • fatty acyls
  • gamma-keto acids and derivatives
  • halogenated fatty acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
    • Substituents
  • halogenated fatty acid
  • alpha-halocarboxylic acid or derivatives
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alkyl fluoride
  • organofluoride
  • alpha-halocarboxylic acid
  • carboxylic acid derivative
  • organohalogen compound
  • branched fatty acid
  • gamma-keto acid
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound
  • medium-chain keto acid