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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:10 UTC
Update Date2025-03-25 00:46:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153912
Frequency0.5
Structure
Chemical FormulaC19H21NO4
Molecular Mass327.1471
SMILESCOc1ccc2c3c1OC1CC4C(C=CC1O)C(C=C3O2)CN4C
InChI KeyIQGWSOZGPOAWQG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • trialkylamines
    • Substituents
  • alcohol
  • ether
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • organoheterocyclic compound
  • organooxygen compound