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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 C17724
pubchemid 96024054
name Ethadione
formula C7H11NO3
structure
Isomeric_Smiles CC1=CC2=C(C=C1C)[C@H](NCC2)CC3=CC(=CC=C3)OC
Cannoical_Smiles CC1=CC2=C(C=C1C)C(NCC2)CC3=CC(=CC=C3)OC
Gotenzyme_Smiles CCN1C(=O)OC(C)(C)C1=O