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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 C01709
pubchemid 4847
name Hesperetin
formula C16H14O6
structure
Isomeric_Smiles CC1=C(C(=O)N2C=CC=CC2=N1)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F
Cannoical_Smiles CC1=C(C(=O)N2C=CC=CC2=N1)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F
Gotenzyme_Smiles COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O