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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 C15966
pubchemid 47205279
name 3-Hydroxyechinenone
formula C40H54O2
structure
Isomeric_Smiles C1CS(=O)(=O)CCN1CC(=O)NCC2=CN=CC=C2
Cannoical_Smiles C1CS(=O)(=O)CCN1CC(=O)NCC2=CN=CC=C2
Gotenzyme_Smiles CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)CCC1