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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:49 UTC
Update Date2025-03-25 00:53:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200862
Frequency0.5
Structure
Chemical FormulaC12H11N3O
Molecular Mass213.0902
SMILESCOc1ccc2[nH]c3c(N)nccc3c2c1
InChI KeyAICOGTULDUOWAT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass pyridoindoles
Direct Parent beta carbolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • indoles
  • methylpyridines
  • organopnictogen compounds
  • polyhalopyridines
  • primary amines
  • pyrroles
    • Substituents
  • phenol ether
  • ether
  • indole
  • polyhalopyridine
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • imidolactam
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • pyridine
  • organic oxygen compound
  • anisole
  • pyrrole
  • beta-carboline
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound