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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 C10598
pubchemid 12781
name Himbacine
formula C22H35NO2
structure
Isomeric_Smiles C1=COC(=C1)C=C[N+](=O)[O-]
Cannoical_Smiles C1=COC(=C1)C=C[N+](=O)[O-]
Gotenzyme_Smiles C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@@H]3CCC[C@@H](C)N3C)[C@@H]12