生物智能计算平台


化合物信息

名称 内容
kegg编号 C01729
pubchemid 4866
name (+)-Medicarpin
formula C16H14O4
structure
Isomeric_Smiles CC1CC2CC(C(C(C(=CC(C(C(=CCC(OC(=O)C(NC(=O)C=CC=CCCC=CC=CC(C(C1)O2)OC)C(C(=O)O)O)C(C)C(C(C(C)O)NC(=O)C(C)C(CCC(C)C(C(=CC(C)(C)C(C(CC(C)C)NC(=O)C=CC(C)(C)C(=O)C(C)C(C(C)C)O)O)C)O)O)O)C)O)C)C)O)C)O
Cannoical_Smiles CC1CC2CC(C(C(C(=CC(C(C(=CCC(OC(=O)C(NC(=O)C=CC=CCCC=CC=CC(C(C1)O2)OC)C(C(=O)O)O)C(C)C(C(C(C)O)NC(=O)C(C)C(CCC(C)C(C(=CC(C)(C)C(C(CC(C)C)NC(=O)C=CC(C)(C)C(=O)C(C)C(C(C)C)O)O)C)O)O)O)C)O)C)C)O)C)O
Gotenzyme_Smiles COc1ccc2c(c1)O[C@@H]1c3ccc(O)cc3OC[C@H]21