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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:44:23 UTC
Update Date2025-03-21 18:00:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00025218
Frequency153.3
Structure
Chemical FormulaC13H12N2O
Molecular Mass212.095
SMILESCOc1ccc2[nH]c3c(C)nccc3c2c1
InChI KeyXYYVPBBISSKKQB-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
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • beta carbolines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • methylpyridines
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyrroles
    • Substituents
  • phenol ether
  • ether
  • indole
  • polyhalopyridine
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organoheterocyclic compound
  • azacycle
  • heteroaromatic compound
  • harman
  • indole or derivatives
  • methylpyridine
  • pyridine
  • organic oxygen compound
  • anisole
  • pyrrole
  • beta-carboline
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • pyridoindole