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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 C09216
pubchemid 11407
name Daphnoretin
formula C19H12O7
structure
Isomeric_Smiles C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Hg+2]
Cannoical_Smiles C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Hg+2]
Gotenzyme_Smiles COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O