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The overlay of the 10 most stable conformations of iberin derivatives calculated by energy minimization. Top, 3-methylthiopropyl isothiocyanate (iberverin); middle, 3-(methylsulfinylpropyl isothiocyanate (iberin); bottom, 3-methylsulfonylpropyl isothiocyanate (cheirolin). Yellow, sulfur; blue, nitrogen; red, oxygen.
