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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:56 UTC
Update Date2025-03-25 00:47:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162275
Frequency0.5
Structure
Chemical FormulaC21H26N2O2
Molecular Mass338.1994
SMILESC=CC1(C=C)CN2CCC1CC2C(O)c1c[nH]c2ccc(OC)cc12
InChI KeyWYKRHEFYSHMLIP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • alkyl aryl ethers
  • anisoles
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • piperidines
  • pyrroles
  • quinuclidines
  • secondary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • phenol ether
  • ether
  • indole
  • quinuclidine
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • piperidine
  • tertiary amine
  • alcohol
  • azacycle
  • 1,2-aminoalcohol
  • heteroaromatic compound
  • tertiary aliphatic amine
  • organic oxygen compound
  • anisole
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound