生物智能计算平台

化合物信息

名称 内容
kegg编号 C07394
pubchemid 9598
name Paclitaxel
formula C47H51NO14
structure
Isomeric_Smiles CN(C)C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)F)F
Cannoical_Smiles CN(C)C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)F)F
Gotenzyme_Smiles CC(=O)O[C@H]1C(=O)[C@@]2(C)C([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O