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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:52 UTC
Update Date2025-03-25 00:58:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230708
Frequency0.5
Structure
Chemical FormulaC13H15NO
Molecular Mass201.1154
SMILESCN1CCC2(Cc3ccccc3C2=O)C1
InChI KeyLEIGLAIHBIOMEK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindanes
Subclass indanones
Direct Parent indanones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl alkyl ketones
  • azacyclic compounds
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • aryl alkyl ketone
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • indanone
  • ketone
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • organoheterocyclic compound
  • organooxygen compound
  • aryl ketone