能提供下粗茎乌头碱A的SMILES文件吗?
【已解决】粗茎乌头碱A的SMILES文件提供下,谢谢!!!
最佳答案
回答者:网友
O(C(C([H])([H])[H])=O)[C@]12C([H])([H])[C@@]([H])([C@@]3([C@@]([H])([C@@]1([H])[C@@]([H])(C3([H])[H])[C@@]13[C@]([H])(C([H])([H])C([H])([H])[C@@]4(C([H])([H])OC([H])([H])[H])C([H])([H])N(C([H])([H])C([H])([H])[H])C1([H])[C@@]2([H])[C@@]([H])([C@]34[H])OC([H])([H])[H])OC([H])([H])[H])OC(C1C([H])=C([H])C(=C([H])C=1[H])OC([H])([H])[H])=O)O[H])OC([H])([H])[H]