生物智能计算平台

化合物信息

名称 内容
kegg编号 C14974
pubchemid 17395972
name 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate
formula C22H30O4
structure
Isomeric_Smiles CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=NC4=CC=CC=C4N=C3
Cannoical_Smiles CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=NC4=CC=CC=C4N=C3
Gotenzyme_Smiles COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@](C)(O)[C@@H]2OC(C)=O