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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 C15985
pubchemid 47205298
name 17-O-Acetylajmaline
formula C22H28N2O3
structure
Isomeric_Smiles C1=COC(=C1)C2=CC(=NN2)C(=O)NCC3=CC=NN3
Cannoical_Smiles C1=COC(=C1)C2=CC(=NN2)C(=O)NCC3=CC=NN3
Gotenzyme_Smiles CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H](C2[C@H]5OC(C)=O)N3[C@@H]1O