生物智能计算平台

化合物信息

名称 内容
kegg编号 C15550
pubchemid 17396542
name Anthocyanin 3'-O-beta-D-glucoside
formula C21H21O7
structure
Isomeric_Smiles CC1=C(NC(=C1C(=O)OC)C)C(=O)OC(C)C(=O)NC2CC2
Cannoical_Smiles CC1=C(NC(=C1C(=O)OC)C)C(=O)OC(C)C(=O)NC2CC2
Gotenzyme_Smiles OC[C@H]1O[C@@H](Oc2cccc(-c3ccc4ccccc4[o+]3)c2)[C@H](O)[C@@H](O)[C@@H]1O