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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:10 UTC
Update Date2025-03-25 00:51:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188030
Frequency0.5
Structure
Chemical FormulaC12H15NO3
Molecular Mass221.1052
SMILESCC(=O)Nc1c(C)cc(C)c(C)c1C(=O)O
InChI KeyMHLYJVNLFYXKIW-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
  • 1-carboxy-2-haloaromatic compounds
  • acetamides
  • acetanilides
  • benzoic acids
  • benzoyl derivatives
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • n-acetylarylamine
  • benzoyl
  • n-arylamide
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • acetamide
  • vinylogous amide
  • acylaminobenzoic acid or derivatives
  • acetanilide
  • carboxamide group
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound