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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 C14441
pubchemid 17395441
name 16-Ketoestrone
formula C18H20O3
structure
Isomeric_Smiles CC(C)(C)NC(=O)CN(C)C(=O)C1=C(C=CC(=C1)Cl)Cl
Cannoical_Smiles CC(C)(C)NC(=O)CN(C)C(=O)C1=C(C=CC(=C1)Cl)Cl
Gotenzyme_Smiles C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC(=O)C2=O