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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 C12197
pubchemid 14343
name (+/-)-Bocconarborine B
formula C44H36N2O9
structure
Isomeric_Smiles CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)O
Cannoical_Smiles CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)O
Gotenzyme_Smiles COc1ccc2c(c1OC)[C@H](CC(=O)C[C@H]1c3cc4c(cc3-c3ccc5cc6c(cc5c3N1C)OCO6)OCO4)N(C)c1c-2ccc2cc3c(cc12)OCO3