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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 C14638
pubchemid 17395638
name 9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione
formula C21H29FO6
structure
Isomeric_Smiles CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CNC(C)C3=CC=CC=C3
Cannoical_Smiles CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CNC(C)C3=CC=CC=C3
Gotenzyme_Smiles C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO