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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:20 UTC
Update Date2025-03-25 00:59:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236338
Frequency0.5
Structure
Chemical FormulaC9H5F8NO
Molecular Mass295.0243
SMILESOC(c1ccccn1)(C(F)(F)F)C(F)(F)C(F)(F)F
InChI KeyPVCWUGXCLAPTTM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydroxypyridines
Direct Parent hydroxypyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl fluorides
  • aromatic alcohols
  • azacyclic compounds
  • fluorohydrins
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • halohydrin
  • alkyl fluoride
  • organofluoride
  • heteroaromatic compound
  • hydroxypyridine
  • fluorohydrin
  • organohalogen compound
  • tertiary alcohol
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • organooxygen compound