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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:44 UTC
Update Date2025-03-25 00:52:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193752
Frequency0.5
Structure
Chemical FormulaC12H18F2N2O2
Molecular Mass260.1336
SMILESCN(C)CCCC(O)(c1cccnc1)C(O)(F)F
InChI KeyUAQXYWYIVFBHAK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydroxypyridines
Direct Parent hydroxypyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • aromatic alcohols
  • azacyclic compounds
  • fluorohydrins
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organofluorides
  • organopnictogen compounds
  • tertiary alcohols
  • trialkylamines
  • Substituents
  • aromatic alcohol
  • aromatic heteromonocyclic compound
  • fluorohydrin
  • organohalogen compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • tertiary amine
  • alcohol
  • azacycle
  • halohydrin
  • alkyl fluoride
  • organofluoride
  • heteroaromatic compound
  • tertiary aliphatic amine
  • hydroxypyridine
  • methylpyridine
  • tertiary alcohol
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound