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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:19 UTC
Update Date2025-03-21 18:35:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00106229
Frequency25.4
Structure
Chemical FormulaC12H15NO2
Molecular Mass205.1103
SMILESCC(O)C(=O)N1CCc2ccccc2C1
InChI KeyOMDGXPBIBVACBG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • tertiary carboxylic acid amides
    • Substituents
  • alcohol
  • carbonyl group
  • azacycle
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • tetrahydroisoquinoline
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound