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MTC 智能计算中心MTC Computing Center AI × 蛋白质与酶工程AI for Protein & Enzyme Engineering

化合物信息

名称 内容
kegg编号 C07714
pubchemid 9916
name Isosorbide mononitrate
formula C6H9NO6
structure
Isomeric_Smiles CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.Cl
Cannoical_Smiles CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.Cl
Gotenzyme_Smiles O=[N+]([O-])O[C@@H]1CO[C@@H]2[C@@H](O)CO[C@H]12