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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:24 UTC
Update Date2025-03-25 00:58:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02229657
Frequency0.5
Structure
Chemical FormulaC8H13FO3
Molecular Mass176.0849
SMILESCCCCC(O)C=C(F)C(=O)O
InChI KeyUEUDVZXTCHFKTF-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
  • alpha-halocarboxylic acids
  • carbonyl compounds
  • carboxylic acids
  • fluoroalkenes
  • halogenated fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • secondary alcohols
  • unsaturated fatty acids
  • vinyl fluorides
    • Substituents
  • alpha-halocarboxylic acid or derivatives
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • alpha-halocarboxylic acid
  • vinyl fluoride
  • carboxylic acid derivative
  • organohalogen compound
  • medium-chain hydroxy acid
  • unsaturated fatty acid
  • organic oxide
  • medium-chain fatty acid
  • hydroxy fatty acid
  • fluoroalkene
  • alcohol
  • halogenated fatty acid
  • organofluoride
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • vinyl halide
  • haloalkene
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound