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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:05 UTC
Update Date2025-03-25 00:51:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02185516
Frequency0.5
Structure
Chemical FormulaC11H8N4O3
Molecular Mass244.0596
SMILESNc1nc2oc(-c3ccc(O)cc3)nc2c(=O)[nH]1
InChI KeyXVDQTQJTDIHHKA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxazoles
  • primary amines
  • Substituents
  • monocyclic benzene moiety
  • lactam
  • azacycle
  • heteroaromatic compound
  • oxazole
  • 1-hydroxy-2-unsubstituted benzenoid
  • pyrimidone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound
  • azole