Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:06 UTC
Update Date2025-03-25 01:01:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249615
Frequency0.5
Structure
Chemical FormulaC9H9N2O+
Molecular Mass161.0709
SMILESC[n+]1cnc2ccc(O)cc2c1
InChI KeyQHGCSUUNWQJMLU-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinazolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • pyrimidines and pyrimidine derivatives
  • Substituents
  • azacycle
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • pyrimidine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic cation
  • quinazoline
  • organooxygen compound