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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:57 UTC
Update Date2025-03-25 01:00:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02244662
Frequency0.5
Structure
Chemical FormulaC8H13FO3
Molecular Mass176.0849
SMILESCCCCC=CC(O)(F)C(=O)O
InChI KeyOTICPEARBNSLDO-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
  • alcohols and polyols
  • alkyl fluorides
  • alpha hydroxy acids and derivatives
  • alpha-halocarboxylic acids
  • carbonyl compounds
  • carboxylic acids
  • fatty acyls
  • halogenated fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
    • Substituents
  • alcohol
  • alpha-halocarboxylic acid or derivatives
  • halogenated fatty acid
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alkyl fluoride
  • organofluoride
  • alpha-hydroxy acid
  • alpha-halocarboxylic acid
  • carboxylic acid derivative
  • organohalogen compound
  • medium-chain hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • medium-chain fatty acid
  • hydroxy fatty acid
  • organooxygen compound