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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 C14273
pubchemid 17395273
name 1,2-Octanediol
formula C8H18O2
structure
Isomeric_Smiles CCNC(=O)C(C)SC1=NC2=CC=CC=C2N1CC
Cannoical_Smiles CCNC(=O)C(C)SC1=NC2=CC=CC=C2N1CC
Gotenzyme_Smiles CCCCCCC(O)CO