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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 C14628
pubchemid 17395628
name 4,5alpha-Dihydro-2-(hydroxymethylene)testosterone
formula C20H30O3
structure
Isomeric_Smiles CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)N(C)CC2=CC3=C(C=C2)OCO3
Cannoical_Smiles CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)N(C)CC2=CC3=C(C=C2)OCO3
Gotenzyme_Smiles C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)/C(=C\O)C[C@@]43C)[C@@H]1CC[C@@H]2O