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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:20 UTC
Update Date2025-03-25 00:59:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236337
Frequency0.5
Structure
Chemical FormulaC12H17NO2
Molecular Mass207.1259
SMILESOC(c1ccco1)C1CC2CCN1CC2
InChI KeyQBWCUBLBBWIIFI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinuclidines
Subclass quinuclidines
Direct Parent quinuclidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • aromatic alcohols
  • azacyclic compounds
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • piperidines
  • secondary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • alcohol
  • furan
  • azacycle
  • 1,2-aminoalcohol
  • quinuclidine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • piperidine
  • amine
  • tertiary amine
  • organooxygen compound