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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:47 UTC
Update Date2025-03-21 18:35:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00107391
Frequency25.0
Structure
Chemical FormulaC16H25NO2
Molecular Mass263.1885
SMILESCC(=O)Nc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChI KeyJLWOLQCRSHKHEI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent acetanilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • phenols
  • phenylpropanes
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • n-acetylarylamine
  • acetanilide
  • 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