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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 C10444
pubchemid 12627
name 3'-Demethoxypiplartine
formula C16H17NO4
structure
Isomeric_Smiles CC1[C@@H](C(C([C@H](O1)O[C@@H]2C[C@H]3CCC4C([C@]3([C@@H](C2)O)C)CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)OC)O
Cannoical_Smiles CC1C(C(C(C(O1)OC2CC3CCC4C(C3(C(C2)O)C)CCC5(C4(CCC5C6=CC(=O)OC6)O)C)O)OC)O
Gotenzyme_Smiles COc1ccc(/C=C/C(=O)N2CCC=CC2=O)cc1OC