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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:50 UTC
Update Date2025-03-25 00:46:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153072
Frequency0.5
Structure
Chemical FormulaC9H8N4O2
Molecular Mass204.0647
SMILESNC(=O)c1c(O)ccc2c(N)ncnc12
InChI KeyLOOMZDNOEMSTLN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinazolinamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • amino acids and derivatives
  • azacyclic compounds
  • benzenoids
  • carboxylic acids and derivatives
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • primary carboxylic acid amides
  • pyrimidines and pyrimidine derivatives
  • salicylic acid and derivatives
  • vinylogous acids
  • Substituents
  • primary carboxylic acid amide
  • amino acid or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • vinylogous acid
  • organic oxygen compound
  • salicylic acid or derivatives
  • quinazolinamine
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound