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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 C18744
pubchemid 124489418
name Metaldehyde
formula C8H16O4
structure
Isomeric_Smiles CNC[C@H]1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC)Br
Cannoical_Smiles CNCC1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC)Br
Gotenzyme_Smiles CC1OC(C)OC(C)OC(C)O1