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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:07 UTC
Update Date2025-03-25 00:48:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02167343
Frequency0.5
Structure
Chemical FormulaC12H16N2O
Molecular Mass204.1263
SMILESCC(=O)NC1CCC(N)c2ccccc21
InChI KeyKSUIXISNKNZZHF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • acetamides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • tetralin
  • carbonyl group
  • aromatic homopolycyclic compound
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • acetamide
  • organooxygen compound