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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:53 UTC
Update Date2025-03-25 01:01:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249118
Frequency0.5
Structure
Chemical FormulaC14H19NO3
Molecular Mass249.1365
SMILESCOc1ccc(CC2CCCC(=O)N2C)cc1O
InChI KeyGBLUVZBEHGMZAF-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • delta lactams
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • piperidinones
  • tertiary carboxylic acid amides
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • 2-benzylpiperidine
  • lactam
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • piperidinone
  • azacycle
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxamide group
  • methoxybenzene
  • delta-lactam
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound