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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 C15369
pubchemid 17396366
name 9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-3,20-dione
formula C22H31FO3
structure
Isomeric_Smiles C1=CC=C(C(=C1)NC(=O)/C=C/C2=CC=CO2)OC(F)(F)F
Cannoical_Smiles C1=CC=C(C(=C1)NC(=O)C=CC2=CC=CO2)OC(F)(F)F
Gotenzyme_Smiles CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C