Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:41 UTC
Update Date2025-03-25 00:50:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180082
Frequency0.5
Structure
Chemical FormulaC9H6N4O
Molecular Mass186.0542
SMILESOc1nc2n[nH]c3ccccc3c-2n1
InChI KeyUPSWFOXRGHAFTN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent cinnolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • pyridazines and derivatives
  • Substituents
  • azacycle
  • heteroaromatic compound
  • cinnoline
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • imidazole
  • pyridazine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • azole