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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 C15450
pubchemid 17396447
name S 1033
formula C20H33O4. Na
structure
Isomeric_Smiles COC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N
Cannoical_Smiles COC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N
Gotenzyme_Smiles CCCCCC/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-].[Na+]