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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 C20349
pubchemid 163312087
name Quinoline yellow WS
formula C18H9NO8S2. 2Na
structure
Isomeric_Smiles CC(C)N1CCCC2(C1=O)CCCN2C(=O)C3=CC=CC4=C3NC5=C4CCCC5
Cannoical_Smiles CC(C)N1CCCC2(C1=O)CCCN2C(=O)C3=CC=CC4=C3NC5=C4CCCC5
Gotenzyme_Smiles O=C1c2ccccc2C(=O)C1c1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2n1.[Na+].[Na+]