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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:09 UTC
Update Date2025-03-21 18:39:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00124984
Frequency20.6
Structure
Chemical FormulaC13H14N4O3
Molecular Mass274.1066
SMILESCn1c(N)c(NC(=O)Cc2ccccc2)c(=O)[nH]c1=O
InChI KeyAEHPKRUBGQXENV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylacetamides
Direct Parent phenylacetamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • n-arylamides
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • pyrimidones
  • secondary carboxylic acid amides
  • vinylogous amides
  • Substituents
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • pyrimidone
  • n-arylamide
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • phenylacetamide
  • organoheterocyclic compound
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound