生物智能计算平台

化合物信息

名称 内容
kegg编号 C14880
pubchemid 17395878
name 16alpha,17-Dihydroxypregn-4-ene-3,20-dione cyclic acetal with 2-furyl methyl ketone
formula C27H34O5
structure
Isomeric_Smiles COC1=C(C=CC(=C1)C(=O)OC)OCC2=COC(=N2)C3=CC=CC=C3
Cannoical_Smiles COC1=C(C=CC(=C1)C(=O)OC)OCC2=COC(=N2)C3=CC=CC=C3
Gotenzyme_Smiles CC(=O)[C@@]12OC(C)(c3ccco3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C