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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 C13101
pubchemid 585165
name Hexestrol
formula C18H22O2
structure
Isomeric_Smiles C1C2CC3CC1CC(C2)(C3)COC(=O)C(C(F)(F)F)(F)F
Cannoical_Smiles C1C2CC3CC1CC(C2)(C3)COC(=O)C(C(F)(F)F)(F)F
Gotenzyme_Smiles CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1