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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:28 UTC
Update Date2025-03-25 00:48:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02165815
Frequency0.5
Structure
Chemical FormulaC14H13N3
Molecular Mass223.1109
SMILESCC1=Nc2ccccc2NC1c1cccnc1
InChI KeyZSMJXWWRQNTWSJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinoxalines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • methylpyridines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alkylarylamines
    • Substituents
  • quinoxaline
  • ketimine
  • azacycle
  • imine
  • heteroaromatic compound
  • methylpyridine
  • organic 1,3-dipolar compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • propargyl-type 1,3-dipolar organic compound
  • pyridine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine