Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:53:58 UTC
Update Date2025-03-24 20:56:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01619017
Frequency0.8
Structure
Chemical FormulaC9H9N2+
Molecular Mass145.076
SMILESC[n+]1cnc2ccccc2c1
InChI KeyWXTWYPCOCFSKON-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinazolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrimidines and pyrimidine derivatives
  • Substituents
  • azacycle
  • heteroaromatic compound
  • pyrimidine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic cation
  • quinazoline