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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:01 UTC
Update Date2025-03-25 01:01:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249446
Frequency0.5
Structure
Chemical FormulaC17H25NO3
Molecular Mass291.1834
SMILESCOc1cc(C2CC3CCCC2N3C)cc(OC)c1OC
InChI KeyQKICPXDROAGNBJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • hydrocarbon derivatives
  • methoxybenzenes
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • phenoxy compounds
  • piperidines
  • pyrroles
  • trialkylamines
  • tropane alkaloids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • piperidine
  • tertiary amine
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • methoxybenzene
  • 3-phenylpyrrolidine
  • organic oxygen compound
  • anisole
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • tropane alkaloid
  • amine
  • organooxygen compound