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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:40 UTC
Update Date2025-03-25 00:49:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175412
Frequency0.5
Structure
Chemical FormulaC12H12N4O3
Molecular Mass260.0909
SMILESCn1c(=O)[nH]c(NC=O)c(Nc2ccccc2)c1=O
InChI KeyJJYCOGOYCXTEBW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass n-arylamides
Direct Parent n-arylamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • pyrimidones
  • secondary amines
  • secondary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • pyrimidone
  • n-arylamide
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • organopnictogen compound
  • organoheterocyclic compound
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • amine