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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 C17013
pubchemid 96023496
name Nigakilactone B
formula C22H32O6
structure
Isomeric_Smiles C1CC(C1)([C@@H]2C3=C(CCN2)C=CC(=C3F)O)C(=O)O
Cannoical_Smiles C1CC(C1)(C2C3=C(CCN2)C=CC(=C3F)O)C(=O)O
Gotenzyme_Smiles COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@@H](C)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C