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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 C16985
pubchemid 96023471
name Leonurine
formula C14H21N3O5
structure
Isomeric_Smiles C1CN[C@@H](C2=CC(=C(C=C21)F)O)[C@H]3C[C@H](CN3)O
Cannoical_Smiles C1CNC(C2=CC(=C(C=C21)F)O)C3CC(CN3)O
Gotenzyme_Smiles COc1cc(C(=O)OCCCCNC(=N)N)cc(OC)c1O