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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 C14774
pubchemid 17395772
name 11,12-DHET
formula C20H34O4
structure
Isomeric_Smiles CC(=O)C1=CC(=CC=C1)NCC2=NC3=CC=CC=C3S2
Cannoical_Smiles CC(=O)C1=CC(=CC=C1)NCC2=NC3=CC=CC=C3S2
Gotenzyme_Smiles CCCCC/C=C\CC(O)C(O)C/C=C\C/C=C\CCCC(=O)O