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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 C12183
pubchemid 14329
name Obliquine
formula C26H28N2O5
structure
Isomeric_Smiles C1C[NH+](CC2=CC=CC=C21)C(=N)N.[Br-]
Cannoical_Smiles C1C[NH+](CC2=CC=CC=C21)C(=N)N.[Br-]
Gotenzyme_Smiles CO[C@@H]1C=C[C@@]23c4cc5c(cc4CN(CCc4ccc(O)cc4)[C@@H]2C(=O)N(C)[C@H]3C1)OCO5