Hmdb loader

Showing information for DMID00118319

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:17 UTC
Update Date2025-03-21 18:37:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00118319
Frequency22.1
Structure
Chemical FormulaC13H19NO2
Molecular Mass221.1416
SMILESCOc1cc(CC2CCCCN2)ccc1O
InChI KeyYGPFDJWISHZZNP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass benzylpiperidines
Direct Parent 2-benzylpiperidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organopnictogen compounds
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 2-benzylpiperidine
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organonitrogen compound
  • organopnictogen compound
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine