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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:41 UTC
Update Date2025-03-25 00:54:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02207372
Frequency0.5
Structure
Chemical FormulaC10H6F7NO
Molecular Mass289.0338
SMILESNc1ccccc1C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyITWXNJAQVNPGDK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • alpha-haloketones
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • vinylogous amides
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • benzoyl
  • organohalogen compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alpha-haloketone
  • alkyl halide
  • vinylogous amide
  • alkyl fluoride
  • organofluoride
  • butyrophenone
  • aromatic homomonocyclic compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • alkyl-phenylketone