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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:10 UTC
Update Date2025-03-25 00:45:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151528
Frequency0.5
Structure
Chemical FormulaC7H7N3O3
Molecular Mass181.0487
SMILESCn1c2c(n(C)c(=O)c1=O)C(=O)N2
InChI KeyBYUROTQIABGJAA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent 2-heteroaryl carboxamides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • pyrazines
  • secondary carboxylic acid amides
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • lactam
  • azacycle
  • heteroaromatic compound
  • 2-heteroaryl carboxamide
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrazine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound