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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:18 UTC
Update Date2025-03-21 18:38:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123067
Frequency31.3
Structure
Chemical FormulaC8H12N6O3
Molecular Mass240.0971
SMILESCC(=O)Nc1c(N=C(N)N)[nH]c(=O)n(C)c1=O
InChI KeyPVMLLWBDTFRNNP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass n-arylamides
Direct Parent n-acetylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • guanidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrimidones
  • secondary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • carbonyl group
  • lactam
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • guanidine
  • pyrimidone
  • carboxylic acid derivative
  • pyrimidine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organopnictogen compound
  • organoheterocyclic compound
  • acetamide
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound