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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:51 UTC
Update Date2025-03-25 00:50:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178205
Frequency0.5
Structure
Chemical FormulaC13H15N5O3
Molecular Mass289.1175
SMILESCn1c(=O)[nH]c(N)c(NCc2ccc(C(N)=O)cc2)c1=O
InChI KeyAJFGTPOJWSCTGB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent benzamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • benzoyl derivatives
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • primary carboxylic acid amides
  • pyrimidones
  • secondary alkylarylamines
  • vinylogous amides
  • Substituents
  • primary carboxylic acid amide
  • lactam
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • benzoyl
  • pyrimidone
  • carboxylic acid derivative
  • benzamide
  • pyrimidine
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • carboxamide group
  • secondary aliphatic/aromatic amine
  • organic oxygen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound