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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:04:05 UTC
Update Date2025-03-21 18:28:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00071943
Frequency67.1
Structure
Chemical FormulaC16H15NO2
Molecular Mass253.1103
SMILESOC1=NC(c2ccccc2)(c2ccc(O)cc2)CC1
InChI KeyHTVPCYYGKJFDQD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • phenylpyrrolines
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
    • Substituents
  • diphenylmethane
  • aromatic heteromonocyclic compound
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic 1,3-dipolar compound
  • 2-phenylpyrroline
  • propargyl-type 1,3-dipolar organic compound
  • pyrroline
  • organic oxygen compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organoheterocyclic compound
  • organooxygen compound