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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 C14210
pubchemid 7847020
name 4-Androstenediol
formula C19H30O2
structure
Isomeric_Smiles COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2
Cannoical_Smiles COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2
Gotenzyme_Smiles C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O