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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:40 UTC
Update Date2025-03-25 00:49:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175417
Frequency0.5
Structure
Chemical FormulaC10H6F15NO2
Molecular Mass457.0159
SMILESO=C(NCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyZATOFJIVPAZTIE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent n-acylethanolamines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkanolamines
  • alkyl fluorides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acyl amines
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • alkyl fluoride
  • organofluoride
  • fatty amide
  • carboxamide group
  • n-acylethanolamine
  • carboxylic acid derivative
  • organohalogen compound
  • n-acyl-amine
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound