生物智能计算平台

化合物信息

名称 内容
kegg编号 C19393
pubchemid 124490065
name Dibenzo[a,e]pyrene
formula C24H14
structure
Isomeric_Smiles C[C@@H]1C[C@@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)Br)C)F
Cannoical_Smiles CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)O)C)O)Br)C)F
Gotenzyme_Smiles c1ccc2c(c1)cc1c3ccccc3c3cccc4ccc2c1c43