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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 C08462
pubchemid 10655
name Thiarubrine B
formula C13H8S2
structure
Isomeric_Smiles C1=CC=C2C(=C1)C(=CC=C2O)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]
Cannoical_Smiles C1=CC=C2C(=C1)C(=CC=C2O)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]
Gotenzyme_Smiles C=CC#CC1=CC=C(C#CC#CC)SS1