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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 C12313
pubchemid 582704
name cis-1,2-Cyclohexanediol
formula C6H12O2
structure
Isomeric_Smiles CCOC(=O)C1(CN1S(=O)(=O)C2=CC=C(C=C2)I)C(=O)OCC
Cannoical_Smiles CCOC(=O)C1(CN1S(=O)(=O)C2=CC=C(C=C2)I)C(=O)OCC
Gotenzyme_Smiles O[C@H]1CCCC[C@H]1O