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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 C18630
pubchemid 124489304
name Nogalaviketone
formula C21H16O8
structure
Isomeric_Smiles CNC[C@H]1CCN(C1)C(=O)C2=C(C=C(C=C2)Cl)F
Cannoical_Smiles CNCC1CCN(C1)C(=O)C2=C(C=C(C=C2)Cl)F
Gotenzyme_Smiles COC(=O)[C@@H]1c2cc3c(c(O)c2C(=O)C[C@]1(C)O)C(=O)c1c(O)cccc1C3=O