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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 C15167
pubchemid 17396164
name 3-Methoxy-19-norpregna-1,3,5(10)-trien-20-one
formula C21H28O2
structure
Isomeric_Smiles CC(C(=O)NC1CCCCC1)SC2=NNC3=NC4=CC=CC=C4N32
Cannoical_Smiles CC(C(=O)NC1CCCCC1)SC2=NNC3=NC4=CC=CC=C4N32
Gotenzyme_Smiles COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]12