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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:32 UTC
Update Date2025-03-25 00:46:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154767
Frequency0.5
Structure
Chemical FormulaC10H11N3O3
Molecular Mass221.08
SMILESCOc1cc2c(cc1O)c(N)nc(=O)n2C
InChI KeyWLNNWDCEJIHSME-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
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • pyrimidones
  • Substituents
  • phenol ether
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • pyrimidone
  • alkyl aryl ether
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • anisole
  • quinazolinamine
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound