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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 C15029
pubchemid 17396026
name 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one
formula C22H26O3
structure
Isomeric_Smiles COC1=C(C=C2C(N(CCC2=C1)CCCO)C3=CC=CC=C3)OC
Cannoical_Smiles COC1=C(C=C2C(N(CCC2=C1)CCCO)C3=CC=CC=C3)OC
Gotenzyme_Smiles COc1ccc2c3c(cc(OC)c2c1)[C@@H]1CC[C@H](C(C)=O)[C@@]1(C)CC3