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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 C08831
pubchemid 11024
name Miroestrol
formula C20H22O6
structure
Isomeric_Smiles C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
Cannoical_Smiles C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
Gotenzyme_Smiles CC1(C)[C@H]2C(=COc3cc(O)ccc32)[C@]2(O)C(=O)C[C@@]3(O)C[C@H]1[C@H]2[C@H]3O