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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:46:25 UTC
Update Date2025-03-21 18:00:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00029931
Frequency124.4
Structure
Chemical FormulaC7H4F3NO2
Molecular Mass191.0194
SMILESO=C(O)c1cccc(C(F)(F)F)n1
InChI KeyOKBHXGBLXDNJJD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridinecarboxylic acids and derivatives
Direct Parent pyridine-2-carboxylic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl fluorides
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
    • Substituents
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • pyridine-2-carboxylic acid
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • 2-halopyridine
  • azacycle
  • alkyl fluoride
  • organofluoride
  • heteroaromatic compound
  • hydroxypyridine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound