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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:04 UTC
Update Date2025-03-25 00:53:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02199121
Frequency0.5
Structure
Chemical FormulaC13H13NO2
Molecular Mass215.0946
SMILESCOc1cccc2c(NC(C)=O)cccc12
InChI KeyKJAFQMLHZYGPHC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • acetamides
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • phenol ether
  • carbonyl group
  • ether
  • n-acetylarylamine
  • n-arylamide
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • naphthalene
  • organic oxygen compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • acetamide
  • organooxygen compound