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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:37 UTC
Update Date2025-03-21 18:34:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00099556
Frequency27.6
Structure
Chemical FormulaC9H11N3O3
Molecular Mass209.08
SMILESCN1C(=O)CCC1c1c[nH]c(=O)[nH]c1=O
InChI KeyKHHHYQCRVVGZKZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • n-alkylpyrrolidines
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • pyrimidone
  • carboxylic acid derivative
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • carboxamide group
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound