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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 C14225
pubchemid 7847035
name Bisphenol B
formula C16H18O2
structure
Isomeric_Smiles C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)C3=CC(=CC=C3)Br
Cannoical_Smiles C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)C3=CC(=CC=C3)Br
Gotenzyme_Smiles CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1