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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:14 UTC
Update Date2025-03-25 00:49:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172110
Frequency0.5
Structure
Chemical FormulaC17H21NO3
Molecular Mass287.1521
SMILESCN1CCC23C4CCC(O)C2OC4=C2C(O)=CC=C2CC13
InChI KeyPWFSBMFQJGEJAN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazaspirodecane derivatives
Subclass azaspirodecane derivatives
Direct Parent azaspirodecane derivatives
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • oxacyclic compounds
  • oxepanes
  • secondary alcohols
  • tetrahydrofurans
  • trialkylamines
  • Substituents
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • tetrahydrofuran
  • tertiary aliphatic amine
  • cyclic alcohol
  • azaspirodecane
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • organooxygen compound