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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:03:42 UTC
Update Date2025-03-21 18:28:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00071019
Frequency42.3
Structure
Chemical FormulaC18H21NO3
Molecular Mass299.1521
SMILESCOc1ccc2c3c1OC1C(O)C=CC3C13CCN(C)C3C2
InChI KeyFNLZJZPOUBOSHZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenanthrenes and derivatives
Subclass phenanthrenes and derivatives
Direct Parent phenanthrenes and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • hydrocarbon derivatives
  • indoles
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • tetralins
  • trialkylamines
  • Substituents
  • tetralin
  • phenol ether
  • ether
  • 1-benzopyran
  • indole
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • chromane
  • pyrrolidine
  • tertiary amine
  • organoheterocyclic compound
  • alcohol
  • phenanthrene
  • benzopyran
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • indole or derivatives
  • oxacycle
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound