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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:50 UTC
Update Date2025-03-21 18:36:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112362
Frequency23.6
Structure
Chemical FormulaC12H11NO2
Molecular Mass201.079
SMILESO=C(CO)Nc1ccc2ccccc2c1
InChI KeyAWLLSAQJIKFGGX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • alcohols and polyols
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • alcohol
  • carbonyl group
  • n-arylamide
  • aromatic homopolycyclic compound
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • naphthalene
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound