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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:02 UTC
Update Date2025-03-21 18:37:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00117732
Frequency22.2
Structure
Chemical FormulaC18H25NO4
Molecular Mass319.1784
SMILESC=CC1(O)CN2CCC1CC2C(O)c1ccc(OC)c(OC)c1
InChI KeyVHLGXTQRQGHMSV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass methoxybenzenes
Direct Parent dimethoxybenzenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • alkyl aryl ethers
  • anisoles
  • aromatic alcohols
  • azacyclic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • phenoxy compounds
  • piperidines
  • quinuclidines
  • secondary alcohols
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • phenol ether
  • ether
  • quinuclidine
  • alkyl aryl ether
  • dimethoxybenzene
  • aromatic heteropolycyclic compound
  • o-dimethoxybenzene
  • organonitrogen compound
  • organopnictogen compound
  • piperidine
  • tertiary amine
  • organoheterocyclic compound
  • alcohol
  • azacycle
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • tertiary alcohol
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound