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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:51 UTC
Update Date2025-03-25 00:50:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180466
Frequency0.5
Structure
Chemical FormulaC17H27NO3
Molecular Mass293.1991
SMILESCOc1ccc(C(O)C2(O)CCC(CN(C)C)CC2)cc1
InChI KeySBGLWXYEJMOXLO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • alkyl aryl ethers
  • aromatic alcohols
  • cyclic alcohols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • methoxybenzenes
  • organopnictogen compounds
  • phenoxy compounds
  • tertiary alcohols
  • trialkylamines
  • Substituents
  • aromatic alcohol
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • 1,2-diol
  • alcohol
  • tertiary aliphatic amine
  • cyclohexanol
  • cyclic alcohol
  • methoxybenzene
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound