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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:04 UTC
Update Date2025-03-25 00:46:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153659
Frequency0.5
Structure
Chemical FormulaC14H21NO2
Molecular Mass235.1572
SMILESCOc1ccc(CC2CCCCN2)cc1OC
InChI KeyDZYNVPSRGBLHEC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass benzylpiperidines
Direct Parent 2-benzylpiperidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • dialkylamines
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • organopnictogen compounds
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 2-benzylpiperidine
  • aromatic heteromonocyclic compound
  • alkyl aryl ether
  • dimethoxybenzene
  • o-dimethoxybenzene
  • organonitrogen compound
  • organopnictogen compound
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine