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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:46 UTC
Update Date2025-03-25 00:48:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166510
Frequency0.5
Structure
Chemical FormulaC12H13NO5
Molecular Mass251.0794
SMILESCC(=O)Nc1ccccc1C(O)CC(=O)C(=O)O
InChI KeyJMRAFATYDUIEOD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent acetanilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • alpha-hydroxy ketones
  • alpha-keto acids and derivatives
  • aromatic alcohols
  • beta-hydroxy ketones
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • aromatic alcohol
  • beta-hydroxy ketone
  • carbonyl group
  • carboxylic acid
  • n-acetylarylamine
  • n-arylamide
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • organonitrogen compound
  • alpha-keto acid
  • organopnictogen compound
  • acetamide
  • alcohol
  • acetanilide
  • carboxamide group
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • keto acid
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound