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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:30 UTC
Update Date2025-03-25 00:46:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156911
Frequency0.5
Structure
Chemical FormulaC8H5N3O4
Molecular Mass207.028
SMILESO=C1C=C(c2c[nH]c(=O)[nH]c2=O)C(=O)N1
InChI KeyMDNIFLRXXAVORT-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
  • dicarboximides
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • maleimides
  • n-unsubstituted carboxylic acid imides
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolines
  • vinylogous amides
    • Substituents
  • vinylogous amide
  • carbonyl group
  • carbonic acid derivative
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • carboxylic acid derivative
  • carboxylic acid imide
  • carboxylic acid imide, n-unsubstituted
  • organic oxide
  • maleimide
  • organic oxygen compound
  • pyrroline
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • dicarboximide
  • organic nitrogen compound
  • organooxygen compound