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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 C09387
pubchemid 11578
name Dehydrocostus lactone
formula C15H18O2
structure
Isomeric_Smiles CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].[Ca+2]
Cannoical_Smiles CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].[Ca+2]
Gotenzyme_Smiles C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@@H]1CCC(=C)[C@H]21