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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 C09550
pubchemid 11741
name Isothebaine
formula C19H21NO3
structure
Isomeric_Smiles C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)N)N
Cannoical_Smiles C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)N)N
Gotenzyme_Smiles COc1cc2c3c(c1O)-c1c(cccc1OC)C[C@@H]3N(C)CC2