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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:11 UTC
Update Date2025-03-25 00:46:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153934
Frequency0.5
Structure
Chemical FormulaC15H17NO2
Molecular Mass243.1259
SMILESCOc1ccc2c3c1CC(=O)C31CCN(C)C1C2
InChI KeyPIFCFBKNDYAGHA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindanes
Subclass indanones
Direct Parent indanones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • hydrocarbon derivatives
  • ketones
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • phenol ether
  • carbonyl group
  • ether
  • alkyl aryl ether
  • ketone
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • tertiary amine
  • organoheterocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • indanone
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound