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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 C18707
pubchemid 124489381
name Chloralose
formula C8H11Cl3O6
structure
Isomeric_Smiles CC1=C(C=C(C=C1)S(=O)(=O)N2CC[C@@H](C2)CNC)F
Cannoical_Smiles CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(C2)CNC)F
Gotenzyme_Smiles OCC(O)[C@H]1OC2O[C@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O