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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 C15228
pubchemid 17396225
name beta-Estradiol 17-acetate
formula C20H26O3
structure
Isomeric_Smiles CC(C)OC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)NC(=O)C
Cannoical_Smiles CC(C)OC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)NC(=O)C
Gotenzyme_Smiles CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C