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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:48 UTC
Update Date2025-03-25 00:53:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200822
Frequency0.5
Structure
Chemical FormulaC18H25NO2
Molecular Mass287.1885
SMILESCOc1ccc2c(c1)C1(O)CCC13CCC(C2)N(C)CC3
InChI KeyQYQHSUCSWXLGKK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazaspirodecane derivatives
Subclass azaspirodecane derivatives
Direct Parent azaspirodecane derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • azepanes
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • organopnictogen compounds
  • tertiary alcohols
  • trialkylamines
  • Substituents
  • alcohol
  • phenol ether
  • ether
  • azacycle
  • tertiary aliphatic amine
  • azaspirodecane
  • alkyl aryl ether
  • tertiary alcohol
  • azepane
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • cyclobutanol
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound