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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:22 UTC
Update Date2025-03-25 00:47:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163295
Frequency0.5
Structure
Chemical FormulaC7H8F3NO2
Molecular Mass195.0507
SMILESO=C(O)C1=NC(C(F)(F)F)CCC1
InChI KeyMVLGIBBTLKSKJU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydropyridines
Direct Parent tetrahydropyridines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • ketimines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • ketimine
  • carbonyl group
  • carboxylic acid
  • azacycle
  • imine
  • alkyl fluoride
  • organofluoride
  • tetrahydropyridine
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound