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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 C19565
pubchemid 124490237
name 4-Hydroxy-1-(3-pyridinyl)-1-butanone
formula C9H11NO2
structure
Isomeric_Smiles COC1=CC=C(C=C1)C2=NNC(=O)C[C@H]2CN3CCCC3
Cannoical_Smiles COC1=CC=C(C=C1)C2=NNC(=O)CC2CN3CCCC3
Gotenzyme_Smiles O=C(CCCO)c1cccnc1