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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:21 UTC
Update Date2025-03-25 00:47:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158761
Frequency0.5
Structure
Chemical FormulaC13H12N2O
Molecular Mass212.095
SMILESOc1ccc2c(c1)NCc1ccccc1N2
InChI KeyMTGUYLFQAVFAJI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodiazepines
Subclass dibenzodiazepines
Direct Parent dibenzodiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-benzodiazepines
  • 1,4-diazepines
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • secondary alkylarylamines
    • Substituents
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • secondary amine
  • secondary aliphatic/aromatic amine
  • 1,4-benzodiazepine
  • para-diazepine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • dibenzodiazepine
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound