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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 C00383
pubchemid 3673
name Malonate
formula C3H4O4
structure
Isomeric_Smiles CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC2=CC=CC=N2
Cannoical_Smiles CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC2=CC=CC=N2
Gotenzyme_Smiles O=C(O)CC(=O)O