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MTC 智能计算中心MTC Computing Center AI × 蛋白质与酶工程AI for Protein & Enzyme Engineering

化合物信息

名称 内容
kegg编号 C16418
pubchemid 47205716
name Pinobanksin 3-O-acetate
formula C17H14O6
structure
Isomeric_Smiles CCCCN(CC(=O)N)C(=O)C1=CC(=CN1)Cl
Cannoical_Smiles CCCCN(CC(=O)N)C(=O)C1=CC(=CN1)Cl
Gotenzyme_Smiles CC(=O)O[C@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccccc1