RefMet Compound Details

MW structure37939 (View MW Metabolite Database details)
RefMet nameMetoprolol
Systematic name{2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl}(propan-2-yl)amine
SMILESCC(C)NCC(COc1ccc(cc1)CCOC)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass267.183444 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC15H25NO3View other entries in RefMet with this formula
InChIKeyIUBSYMUCCVWXPE-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassPhenols
Sub ClassOther phenols
Pubchem CID4171
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)