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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:29:00 UTC
Update Date2025-03-21 18:40:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00131831
Frequency19.2
Structure
Chemical FormulaC9HF15O3
Molecular Mass441.9686
SMILESO=C(O)C(F)(F)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyVCGUZQUTQJFZFH-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
  • beta-hydroxy ketones
  • beta-keto acids and derivatives
  • carboxylic acids
  • fatty acyls
  • halogenated fatty acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
    • Substituents
  • halogenated fatty acid
  • alpha-halocarboxylic acid or derivatives
  • fatty acyl
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alkyl fluoride
  • organofluoride
  • alpha-halocarboxylic acid
  • carboxylic acid derivative
  • organohalogen compound
  • beta-keto acid
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound
  • medium-chain keto acid