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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 C10728
pubchemid 12911
name Otobain
formula C20H20O4
structure
Isomeric_Smiles CCC1=CC(=C(C=C1)Cl)NC(=O)CC(C)N(CC)CC
Cannoical_Smiles CCC1=CC(=C(C=C1)Cl)NC(=O)CC(C)N(CC)CC
Gotenzyme_Smiles C[C@H]1Cc2ccc3c(c2[C@@H](c2ccc4c(c2)OCO4)[C@@H]1C)OCO3