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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 C10735
pubchemid 12918
name Ribalinium
formula C16H20NO4
structure
Isomeric_Smiles CC1=CC(=CC(=C1O)C)OC2=C(C=C(C=C2I)CCO)I
Cannoical_Smiles CC1=CC(=CC(=C1O)C)OC2=C(C=C(C=C2I)CCO)I
Gotenzyme_Smiles COc1c2c([n+](C)c3ccc(O)cc13)O[C@@H](C(C)(C)O)C2