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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:26 UTC
Update Date2025-03-21 18:36:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111421
Frequency23.9
Structure
Chemical FormulaC8H5F3O2
Molecular Mass190.0242
SMILESO=C(c1ccc(O)cc1)C(F)(F)F
InChI KeyIFNQIRKICGIWKF-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
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl fluorides
  • alpha-haloketones
  • aryl alkyl ketones
  • benzoyl derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • organooxygen compounds
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • alkyl fluoride
  • organofluoride
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • aromatic homomonocyclic compound
  • organic oxide
  • phenol
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone