能提供下异连翘酯苷A对照品的SMILES文件吗?
【已解决】异连翘酯苷A对照品的SMILES文件提供下,谢谢!!!
最佳答案
回答者:网友
O1[C@]([H])([C@@]([H])([C@]([H])([C@@]([H])([C@@]1([H])C([H])([H])O[C@@]1([H])[C@@]([H])([C@@]([H])([C@]([H])([C@]([H])(C([H])([H])[H])O1)O[H])O[H])O[H])O[H])OC(/C(/[H])=C(\[H])/C1C([H])=C([H])C(=C(C=1[H])O[H])O[H])=O)O[H])OC([H])([H])C([H])([H])C1C([H])=C([H])C(=C(C=1[H])O[H])O[H]