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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:38 UTC
Update Date2025-03-25 01:02:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253096
Frequency0.5
Structure
Chemical FormulaC8HF13O4
Molecular Mass407.9667
SMILESO=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OC(F)(F)F
InChI KeyWVPVCDRJGZJUKM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass medium-chain hydroxy acids and derivatives
Direct Parent medium-chain hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • alpha-halocarboxylic acid derivatives
  • alpha-halocarboxylic acids
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • halogenated fatty acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • organic oxides
  • organofluorides
  • trihalomethanes
    • Substituents
  • alpha-halocarboxylic acid or derivatives
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alpha-halocarboxylic acid
  • carboxylic acid derivative
  • organohalogen compound
  • medium-chain hydroxy acid
  • organic oxide
  • alkyl halide
  • medium-chain fatty acid
  • halogenated fatty acid
  • halomethane
  • trihalomethane
  • alkyl fluoride
  • organofluoride
  • alpha-halocarboxylic acid derivative
  • fatty acid ester
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound