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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:44 UTC
Update Date2025-03-25 00:57:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02226026
Frequency0.5
Structure
Chemical FormulaC9H10N2O5
Molecular Mass226.059
SMILESCC(=O)Nc1[nH]cc(CC(=O)O)c1C(=O)O
InChI KeyMVFODIHWICTHOG-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
  • 1-carboxy-2-haloaromatic compounds
  • acetamides
  • azacyclic compounds
  • carbonyl compounds
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • pyrrole carboxylic acids
  • secondary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • pyrrole-3-carboxylic acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • organoheterocyclic compound
  • acetamide
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrrole
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • pyrrole-3-carboxylic acid
  • organooxygen compound