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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:45 UTC
Update Date2025-03-25 00:48:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166485
Frequency0.5
Structure
Chemical FormulaC13H8F11NO2
Molecular Mass419.0379
SMILESCC(=O)Nc1ccc(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChI KeyOUDITOQDGMJQKT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent acetanilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • alkyl fluorides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acetylarylamines
  • organic oxides
  • organofluorides
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • secondary carboxylic acid amides
    • Substituents
  • phenol ether
  • carbonyl group
  • n-acetylarylamine
  • n-arylamide
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • acetamide
  • acetanilide
  • alkyl fluoride
  • organofluoride
  • carboxamide group
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound