I've been given this SMILES for Estriol:

 

o...@h]2([...@]3([...@h]([C@@H]4[C@@H](CC3)c3c(CC4)cc(O)cc3)C[C@@H]2O)C)[H]1

 

When I run it through SmilesToMol, an exception is raised.

 

Example code:

 

void testFunction(){

  ROMol 
*mol=SmilesToMol("o...@h]2([...@]3([...@h]([C@@H]4[C@@H](CC3)c3c(CC4)cc(O)cc3)C[C@@H]2O)C)[H]1");

  delete mol;
}


Am I doing something wrong? Is my SMILES corrupt?

 

Thanks,


George.

_________________________________________________________________
All your Twitter and other social updates in one place 
http://clk.atdmt.com/UKM/go/137984870/direct/01/

Reply via email to