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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:11 UTC
Update Date2025-03-25 01:01:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02252115
Frequency0.5
Structure
Chemical FormulaC10H12N2
Molecular Mass160.1
SMILESNCCC1=CNc2ccc1cc2
InChI KeyIRSGIRXYCXDUST-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepines
Subclass azepines
Direct Parent azepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • monoalkylamines
  • organopnictogen compounds
  • secondary alkylarylamines
    • Substituents
  • azacycle
  • secondary amine
  • secondary aliphatic/aromatic amine
  • azepine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • amine