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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:36 UTC
Update Date2025-03-25 00:53:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200362
Frequency0.5
Structure
Chemical FormulaC16H19N3
Molecular Mass253.1579
SMILESCc1nccc2c3ccccc3n(CCN(C)C)c12
InChI KeyCNTMFJHNSJERJC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassalkaloids and derivatives
Classharmala alkaloids
Subclass harmala alkaloids
Direct Parent harmala alkaloids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • benzenoids
  • beta carbolines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • methylpyridines
  • n-alkylindoles
  • organopnictogen compounds
  • polyhalopyridines
  • substituted pyrroles
  • trialkylamines
    • Substituents
  • n-alkylindole
  • indole
  • polyhalopyridine
  • substituted pyrrole
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • tertiary amine
  • organoheterocyclic compound
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • harman
  • indole or derivatives
  • methylpyridine
  • pyridine
  • pyrrole
  • beta-carboline
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • pyridoindole