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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:03 UTC
Update Date2025-03-25 00:53:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201392
Frequency0.5
Structure
Chemical FormulaC14H21NO3
Molecular Mass251.1521
SMILESCOc1cc(CN2CCCCC2)cc(OC)c1O
InChI KeyMAKRFYGGBMLLLR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass benzylpiperidines
Direct Parent n-benzylpiperidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • aralkylamines
  • azacyclic compounds
  • benzylamines
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • methoxyphenols
  • organopnictogen compounds
  • phenoxy compounds
  • phenylmethylamines
  • trialkylamines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • methoxyphenol
  • alkyl aryl ether
  • aralkylamine
  • dimethoxybenzene
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • azacycle
  • tertiary aliphatic amine
  • methoxybenzene
  • n-benzylpiperidine
  • phenylmethylamine
  • organic oxygen compound
  • benzylamine
  • m-dimethoxybenzene
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound