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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:07 UTC
Update Date2025-03-21 18:37:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00117920
Frequency22.2
Structure
Chemical FormulaC21H25NO3
Molecular Mass339.1834
SMILESC=CC1(O)CN2CCC1CC2C(O)c1cccc2cc(OC)ccc12
InChI KeyIMVXVDBQLCPOCD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • alkyl aryl ethers
  • anisoles
  • aromatic alcohols
  • azacyclic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • piperidines
  • quinuclidines
  • secondary alcohols
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • phenol ether
  • ether
  • quinuclidine
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • piperidine
  • tertiary amine
  • organoheterocyclic compound
  • alcohol
  • azacycle
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • tertiary alcohol
  • naphthalene
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound