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Showing information for DMID00111089

Record Information
HMDB Statusquantified
Creation Date2024-02-21 00:20:18 UTC
Update Date2025-03-21 18:36:32 UTC
HMDB IDHMDB0001849
Metabolite Identification
DeepMet IDDMID00111089
NamePropranolol
Frequency24.0
Structure
Chemical FormulaC16H21NO2
Molecular Mass259.1572
SMILESCC(C)NCC(O)COc1cccc2ccccc12
InChI KeyAQHHHDLHHXJYJD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • phenol ethers
  • secondary alcohols
    • Substituents
  • alcohol
  • phenol ether
  • secondary aliphatic amine
  • ether
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • secondary amine
  • naphthalene
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine