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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:27 UTC
Update Date2025-03-25 00:53:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200004
Frequency0.5
Structure
Chemical FormulaC8H8F3NO2
Molecular Mass207.0507
SMILESCn1cc(C(O)C(F)(F)F)ccc1=O
InChI KeyHNWGQSHLMZIRON-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydropyridines
Direct Parent pyridinones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • aromatic alcohols
  • azacyclic compounds
  • fluorohydrins
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • lactams
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • lactam
  • aromatic heteromonocyclic compound
  • fluorohydrin
  • organohalogen compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • alcohol
  • azacycle
  • halohydrin
  • alkyl fluoride
  • organofluoride
  • heteroaromatic compound
  • hydroxypyridine
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyridinone
  • organooxygen compound