RefMet Compound Details

MW structure50553 (View MW Metabolite Database details)
RefMet nameN-Hydroxy-4-aminobiphenyl
Systematic nameN-hydroxy-[1,1'-biphenyl]-4-amine
SMILESc1ccc(cc1)c1ccc(cc1)NO   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass185.084064 (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
FormulaC12H11NOView other entries in RefMet with this formula
InChIInChI=1S/C12H11NO/c14-13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14H
InChIKeyMYVLYOJYVMLSFA-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassBisphenyls
Sub ClassOther bisphenyls
Pubchem CID81261
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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