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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:22 UTC
Update Date2025-03-25 00:50:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181640
Frequency0.5
Structure
Chemical FormulaC13H15NO6
Molecular Mass281.0899
SMILESO=C(O)CCCOC(=O)c1ccccc1NC(=O)CO
InChI KeyBURUXOCAHOZTCO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent acylaminobenzoic acid and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • anilides
  • benzoic acid esters
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • vinylogous amides
  • Substituents
  • carbonyl group
  • carboxylic acid
  • benzoyl
  • n-arylamide
  • benzoate ester
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • vinylogous amide
  • acylaminobenzoic acid or derivatives
  • carboxamide group
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound