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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:44:34 UTC
Update Date2025-03-21 18:00:11 UTC
HMDB IDHMDB0041935
Metabolite Identification
DeepMet IDDMID00025650
NameMoprolol
Frequency150.2
Structure
Chemical FormulaC13H21NO3
Molecular Mass239.1521
SMILESCOc1ccccc1OCC(O)CNC(C)C
InChI KeyLFTFGCDECFPSQD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • dialkylamines
  • hydrocarbon derivatives
  • methoxybenzenes
  • organopnictogen compounds
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • secondary amine
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine