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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 C10634
pubchemid 12817
name Acrophylline
formula C17H17NO3
structure
Isomeric_Smiles CC1CCC2(CC1)C(=O)NC(=O)N2
Cannoical_Smiles CC1CCC2(CC1)C(=O)NC(=O)N2
Gotenzyme_Smiles COc1ccc2c(=O)c3ccoc3n(CC=C(C)C)c2c1