Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:42 UTC
Update Date2025-03-25 00:51:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186958
Frequency0.5
Structure
Chemical FormulaC9H9N3O2
Molecular Mass191.0695
SMILESNCc1nc2c(O)cccc2c(=O)[nH]1
InChI KeyVCCZHZQLZYNAEY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinazolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • pyrimidones
  • Substituents
  • lactam
  • azacycle
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • pyrimidone
  • 1-hydroxy-4-unsubstituted benzenoid
  • pyrimidine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • quinazoline
  • organooxygen compound