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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:44 UTC
Update Date2025-03-25 00:51:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02187048
Frequency0.5
Structure
Chemical FormulaC9H13F3O3
Molecular Mass226.0817
SMILESCC(C(=O)OC(C)(C)C)C(=O)C(F)(F)F
InChI KeySYUGFNMRPFNBMS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classketo acids and derivatives
Subclass beta-keto acids and derivatives
Direct Parent beta-keto acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • alkyl fluorides
  • alpha-haloketones
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • alkyl fluoride
  • organofluoride
  • carboxylic acid derivative
  • organohalogen compound
  • beta-keto acid
  • ketone
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • organooxygen compound