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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:10 UTC
Update Date2025-03-25 00:57:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222571
Frequency0.5
Structure
Chemical FormulaC13H10N2O
Molecular Mass210.0793
SMILESO=C1Nc2ccccc2Cc2cccnc21
InChI KeyNSOJVTRKBCYZFQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzazepines
Subclass benzazepines
Direct Parent benzazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • 2-heteroaryl carboxamides
  • azacyclic compounds
  • azepines
  • benzenoids
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyridines and derivatives
  • secondary carboxylic acid amides
    • Substituents
  • lactam
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • 2-heteroaryl carboxamide
  • secondary carboxylic acid amide
  • organic oxide
  • pyridine
  • organic oxygen compound
  • azepine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • 2-halopyridine
  • organic nitrogen compound
  • benzazepine
  • organooxygen compound