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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 C15384
pubchemid 17396381
name 12alpha-Hydroxy-5beta-pregnane-3,20-dione
formula C21H32O3
structure
Isomeric_Smiles CC1=CC(=NO1)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3
Cannoical_Smiles CC1=CC(=NO1)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3
Gotenzyme_Smiles CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C