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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:53:48 UTC
Update Date2025-03-21 18:03:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00047688
Frequency69.8
Structure
Chemical FormulaC9H2F16O3
Molecular Mass461.9748
SMILESO=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)(F)F
InChI KeyZBCPKELEESHDHG-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-halocarboxylic acids
  • carbonyl compounds
  • carboxylic acids
  • fluorohydrins
  • halogenated fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
    • Substituents
  • alpha-halocarboxylic acid or derivatives
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • alpha-halocarboxylic acid
  • fluorohydrin
  • carboxylic acid derivative
  • organohalogen compound
  • medium-chain hydroxy acid
  • organic oxide
  • alkyl halide
  • medium-chain fatty acid
  • hydroxy fatty acid
  • halogenated fatty acid
  • alcohol
  • halohydrin
  • alkyl fluoride
  • organofluoride
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound