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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:14 UTC
Update Date2025-03-25 00:59:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236127
Frequency0.5
Structure
Chemical FormulaC13H14N4O4
Molecular Mass290.1015
SMILESCOc1ccc(-n2c(=O)[nH]c(N)c(NC(C)=O)c2=O)cc1
InChI KeyLQTUWZQCAWQXTO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass n-arylamides
Direct Parent n-acetylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • alkyl aryl ethers
  • amino acids and derivatives
  • anisoles
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • methoxybenzenes
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • primary amines
  • pyrimidones
  • secondary carboxylic acid amides
  • vinylogous amides
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • lactam
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • pyrimidone
  • alkyl aryl ether
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • organopnictogen compound
  • organoheterocyclic compound
  • acetamide
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • methoxybenzene
  • secondary carboxylic acid amide
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • phenoxy compound
  • amine
  • organooxygen compound