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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 C07199
pubchemid 9408
name Methysergide
formula C21H27N3O2
structure
Isomeric_Smiles C1=CC2=C3C(=C1)C=CC4=NC=CC(=C43)C=C2
Cannoical_Smiles C1=CC2=C3C(=C1)C=CC4=NC=CC(=C43)C=C2
Gotenzyme_Smiles CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1