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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:45 UTC
Update Date2025-03-25 00:48:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166476
Frequency0.5
Structure
Chemical FormulaC10H11N3O3
Molecular Mass221.08
SMILESCC(=O)Nc1ccc(NC=O)c(C(N)=O)c1
InChI KeyPIUMHEOCGTXIMH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent acylaminobenzoic acid and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • acetanilides
  • benzamides
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • primary carboxylic acid amides
  • secondary carboxylic acid amides
  • vinylogous amides
  • Substituents
  • primary carboxylic acid amide
  • carbonyl group
  • n-acetylarylamine
  • benzoyl
  • n-arylamide
  • carboxylic acid derivative
  • benzamide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • vinylogous amide
  • acylaminobenzoic acid or derivatives
  • acetanilide
  • carboxamide group
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound