生物智能计算平台

化合物信息

名称 内容
kegg编号 C15313
pubchemid 17396310
name 3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one
formula C22H26O5
structure
Isomeric_Smiles CC1=NC(=CC=C1)NC(=O)CCC2=NC(=O)C3=CC=CC=C3N2
Cannoical_Smiles CC1=NC(=CC=C1)NC(=O)CCC2=NC(=O)C3=CC=CC=C3N2
Gotenzyme_Smiles CC(=O)Oc1ccc2c(c1)C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]12