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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:12:57 UTC
Update Date2025-03-21 18:32:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00093085
Frequency30.0
Structure
Chemical FormulaC12H17NO2
Molecular Mass207.1259
SMILESOc1ccc(CC2CCCCN2)cc1O
InChI KeyAUYONLNUNWGRLG-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
  • azacyclic compounds
  • benzene and substituted derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • 2-benzylpiperidine
  • aromatic heteromonocyclic compound
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • secondary amine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine