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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:09:58 UTC
Update Date2025-03-21 18:31:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00086043
Frequency33.2
Structure
Chemical FormulaC18H21NO3
Molecular Mass299.1521
SMILESCOc1ccc2c3c1C1C=CC(O)C4OC34CCN(C)C1C2
InChI KeyRPTOMRSWGVPMGA-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
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • trialkylamines
    • Substituents
  • alcohol
  • ether
  • azacycle
  • tertiary aliphatic amine
  • oxirane
  • alkyl aryl ether
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organoheterocyclic compound
  • organooxygen compound