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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:27 UTC
Update Date2025-03-25 00:45:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149828
Frequency0.5
Structure
Chemical FormulaC11H9N3O2
Molecular Mass215.0695
SMILESNc1nc[nH]c(=O)c1C(=O)c1ccccc1
InChI KeyUKFLMBNOVQXWGW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent aryl-phenylketones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl ketones
  • azacyclic compounds
  • benzoyl derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • lactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • pyrimidinecarboxylic acids and derivatives
  • pyrimidones
  • vinylogous amides
    • Substituents
  • monocyclic benzene moiety
  • lactam
  • aromatic heteromonocyclic compound
  • benzoyl
  • pyrimidone
  • pyrimidine
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • organoheterocyclic compound
  • vinylogous amide
  • azacycle
  • aryl-phenylketone
  • heteroaromatic compound
  • pyrimidine-5-carboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine