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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:02 UTC
Update Date2025-03-25 00:58:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231066
Frequency0.5
Structure
Chemical FormulaC16H20N2O2
Molecular Mass272.1525
SMILESCCOC(=O)N1CCC(=C2NCc3ccccc32)CC1
InChI KeyMRKRCEJPXJZJJW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisoindoles and derivatives
Subclass isoindoles
Direct Parent isoindoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carbamate esters
  • carbonyl compounds
  • dialkylamines
  • hydrocarbon derivatives
  • isoindolines
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • piperidinecarboxylic acids
  • piperidines
    • Substituents
  • secondary aliphatic amine
  • carbonyl group
  • carbonic acid derivative
  • azacycle
  • isoindole
  • carbamic acid ester
  • secondary amine
  • organic oxide
  • organic oxygen compound
  • isoindoline
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • piperidinecarboxylic acid
  • benzenoid
  • organic nitrogen compound
  • piperidine
  • organooxygen compound
  • amine