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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 C15102
pubchemid 17396099
name 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
formula C11H10O3
structure
Isomeric_Smiles C1COCCN1C(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F
Cannoical_Smiles C1COCCN1C(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F
Gotenzyme_Smiles O=C1CCC(C(=O)O)c2ccccc21