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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 C10764
pubchemid 12947
name 5,6-Dehydrolupanine
formula C15H22N2O
structure
Isomeric_Smiles CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO.OS(=O)(=O)O
Cannoical_Smiles CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO.OS(=O)(=O)O
Gotenzyme_Smiles O=C1CCC=C2[C@@H]3C[C@@H](CN12)[C@@H]1CCCCN1C3