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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:42:53 UTC
Update Date2025-03-21 17:59:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00021785
Frequency182.9
Structure
Chemical FormulaC12H17NO2
Molecular Mass207.1259
SMILESCC(=O)Nc1ccc(O)c(C(C)(C)C)c1
InChI KeyFHKARLUKSIMGLC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent acetanilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetamides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • phenylpropanes
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • n-acetylarylamine
  • acetanilide
  • 1-hydroxy-2-unsubstituted benzenoid
  • n-arylamide
  • carboxamide group
  • carboxylic acid derivative
  • phenylpropane
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • acetamide
  • organooxygen compound