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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:12 UTC
Update Date2025-03-25 00:49:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176660
Frequency0.5
Structure
Chemical FormulaC13H9N
Molecular Mass179.0735
SMILESC1=Cc2cccc3cccc(c23)N=C1
InChI KeyNMTUOPURVQKYPY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzazepines
Subclass benzazepines
Direct Parent benzazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • azepines
  • hydrocarbon derivatives
  • imines
  • naphthalenes
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • naphthalene
  • azepine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • benzazepine