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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 C09117
pubchemid 11309
name Isodonal
formula C22H28O7
structure
Isomeric_Smiles C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)Br
Cannoical_Smiles C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)Br
Gotenzyme_Smiles C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(COC(C)=O)[C@H](CCC(C)(C)[C@H]1C=O)OC3=O