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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:00:01 UTC
Update Date2025-03-21 18:06:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00062240
Frequency49.9
Structure
Chemical FormulaC16H21NO3
Molecular Mass275.1521
SMILESC=CC1(O)CN2CCC1CC2C(O)c1ccc(O)cc1
InChI KeyQHJIOSZVRJUFKC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinuclidines
Subclass quinuclidines
Direct Parent quinuclidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • 1-hydroxy-2-unsubstituted benzenoids
  • aromatic alcohols
  • azacyclic compounds
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organopnictogen compounds
  • piperidines
  • secondary alcohols
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • azacycle
  • 1,2-aminoalcohol
  • quinuclidine
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • tertiary alcohol
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • piperidine
  • amine
  • tertiary amine
  • organooxygen compound