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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 C14608
pubchemid 17395608
name 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one
formula C21H34O3
structure
Isomeric_Smiles CC1=CC(=NC=C1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3F
Cannoical_Smiles CC1=CC(=NC=C1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3F
Gotenzyme_Smiles CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C