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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:34:26 UTC
Update Date2025-03-21 17:56:36 UTC
HMDB IDHMDB0014397
Metabolite Identification
DeepMet IDDMID00002462
NamePhenytoin
Frequency2710.5
Structure
Chemical FormulaC15H12N2O2
Molecular Mass252.0899
SMILESOC1=NC(c2ccccc2)(c2ccccc2)C(O)=N1
InChI KeyCXOFVDLJLONNDW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • imidazoles
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • diphenylmethane
  • aromatic heteromonocyclic compound
  • azacycle
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound