生物智能计算平台

化合物信息

名称 内容
kegg编号 C12638
pubchemid 583028
name Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)
formula C24H22O15
structure
Isomeric_Smiles CC12CCCC(=CC=C3CC(CCC3=C)O[Si](C)(C)C)C1CCC2C(CCCC(C)(C)O[Si](C)(C)C)CO[Si](C)(C)C
Cannoical_Smiles CC12CCCC(=CC=C3CC(CCC3=C)O[Si](C)(C)C)C1CCC2C(CCCC(C)(C)O[Si](C)(C)C)CO[Si](C)(C)C
Gotenzyme_Smiles O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O