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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 C17012
pubchemid 96023495
name Nigakilactone A
formula C21H30O6
structure
Isomeric_Smiles CC1(C(C1(C)C)[C@H]2C3=CC(=C(C=C3CCN2)F)O)C
Cannoical_Smiles CC1(C(C1(C)C)C2C3=CC(=C(C=C3CCN2)F)O)C
Gotenzyme_Smiles COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@@H](C)[C@H](O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C