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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 C20225
pubchemid 163311968
name Coniferyl acetate
formula C12H14O4
structure
Isomeric_Smiles CC1=NC=CC(=C1OCC2=NC3=C(CCN3)C=C2)C#N
Cannoical_Smiles CC1=NC=CC(=C1OCC2=NC3=C(CCN3)C=C2)C#N
Gotenzyme_Smiles COc1cc(/C=C/COC(C)=O)ccc1O