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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:35 UTC
Update Date2025-03-25 00:55:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02214279
Frequency0.5
Structure
Chemical FormulaC13H13N3O3
Molecular Mass259.0957
SMILESCCc1nc[nH]c(=O)c1C(O)=Nc1ccccc1O
InChI KeyMGTPWPWUUZFQTE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • carboximidic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carboximidic acid
  • monocyclic benzene moiety
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • pyrimidone
  • organic 1,3-dipolar compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound