RefMet Compound Details

MW structure46542 (View MW Metabolite Database details)
RefMet nameBiphenyl
Systematic namephenylbenzene
SMILESc1ccccc1-c1ccccc1
Sum CompositionBiphenyl View other entries in RefMet with this sum composition
Exact mass154.078250 (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
FormulaC12H10View other entries in RefMet with this formula
InChIInChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
InChIKeyZUOUZKKEUPVFJK-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassBiphenyls
Pubchem CID7095
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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