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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:33 UTC
Update Date2025-03-25 00:46:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154818
Frequency0.5
Structure
Chemical FormulaC22H29NO2
Molecular Mass339.2198
SMILESCOc1ccc(C(O)CCCN2CCC(C)(c3ccccc3)C2)cc1
InChI KeyHCZJDLLGPHIJPY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • aromatic alcohols
  • azacyclic compounds
  • hydrocarbon derivatives
  • methoxybenzenes
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • phenoxy compounds
  • phenylbutylamines
  • pyrroles
  • secondary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • alkyl aryl ether
  • phenylbutylamine
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • methoxybenzene
  • 3-phenylpyrrolidine
  • organic oxygen compound
  • anisole
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound