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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 C02027
pubchemid 5121
name Deoxylimonate
formula C26H32O8
structure
Isomeric_Smiles C1CSC2=NC(CN21)C3=CC=C(C=C3)Br
Cannoical_Smiles C1CSC2=NC(CN21)C3=CC=C(C=C3)Br
Gotenzyme_Smiles CC1=C2CC(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@@H]1[C@@]12COC(=O)C[C@@H]1OC(C)(C)[C@@H]2CC(=O)O