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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:25 UTC
Update Date2025-03-25 00:47:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158906
Frequency0.5
Structure
Chemical FormulaC18H18N2
Molecular Mass262.147
SMILESc1ccc2c(c1)CCc1cccnc1C2=C1CCCN1
InChI KeyROAZFTKDVJTLSU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzocycloheptapyridines
Subclass benzocycloheptapyridines
Direct Parent benzocycloheptapyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • benzenoids
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • polyhalopyridines
  • pyridines and derivatives
  • pyrrolidines
    • Substituents
  • secondary aliphatic amine
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • secondary amine
  • pyridine
  • aromatic heteropolycyclic compound
  • benzocycloheptapyridine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • 2-halopyridine
  • organic nitrogen compound
  • pyrrolidine
  • amine