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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:31 UTC
Update Date2025-03-25 00:46:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156962
Frequency0.5
Structure
Chemical FormulaC11H6F3NO2
Molecular Mass241.0351
SMILESO=C(c1ccc2cccc(O)c2n1)C(F)(F)F
InChI KeyTWNOFYFHLZVPSX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass 8-hydroxyquinolines
Direct Parent 8-hydroxyquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 2-halopyridines
  • alkyl fluorides
  • alpha-haloketones
  • aryl alkyl ketones
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
    • Substituents
  • aryl alkyl ketone
  • polyhalopyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • ketone
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alpha-haloketone
  • alkyl halide
  • 2-halopyridine
  • 8-hydroxyquinoline
  • azacycle
  • alkyl fluoride
  • organofluoride
  • heteroaromatic compound
  • hydroxypyridine
  • 1-hydroxy-4-unsubstituted benzenoid
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • aryl ketone