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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 C10971
pubchemid 13154
name Isoimide
formula C14H12BrNO2
structure
Isomeric_Smiles [C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.[C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.[C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.[Al+3].[Al+3]
Cannoical_Smiles C(C(C(=O)[O-])O)(C(=O)[O-])O.C(C(C(=O)[O-])O)(C(=O)[O-])O.C(C(C(=O)[O-])O)(C(=O)[O-])O.[Al+3].[Al+3]
Gotenzyme_Smiles O=C1O/C(=N\c2ccc(Br)cc2)C2=C1CCCC2