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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:39 UTC
Update Date2025-03-25 00:49:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177730
Frequency0.5
Structure
Chemical FormulaC17H16N2
Molecular Mass248.1313
SMILESN#Cc1ccc2c(c1)CCN(Cc1ccccc1)C2
InChI KeyTXDDHDYGTYFBRC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisoquinolines and derivatives
Subclass benzylisoquinolines
Direct Parent benzylisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aralkylamines
  • azacyclic compounds
  • benzylamines
  • hydrocarbon derivatives
  • nitriles
  • organopnictogen compounds
  • phenylmethylamines
  • tetrahydroisoquinolines
  • trialkylamines
    • Substituents
  • monocyclic benzene moiety
  • nitrile
  • azacycle
  • tertiary aliphatic amine
  • benzylisoquinoline
  • aralkylamine
  • phenylmethylamine
  • aromatic heteropolycyclic compound
  • benzylamine
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • carbonitrile
  • tertiary amine