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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 C09160
pubchemid 11352
name Ergine
formula C16H17N3O
structure
Isomeric_Smiles C1=CC=C2C(=C1)C=C3C(=N2)C=CC=C3N
Cannoical_Smiles C1=CC=C2C(=C1)C=C3C(=N2)C=CC=C3N
Gotenzyme_Smiles CN1C[C@H](C(N)=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21