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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 C15440
pubchemid 17396437
name Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate
formula C24H30O6
structure
Isomeric_Smiles CCOC(=O)N1CCC(CC1)C(=O)NCCOC2=CC=CC=C2
Cannoical_Smiles CCOC(=O)N1CCC(CC1)C(=O)NCCOC2=CC=CC=C2
Gotenzyme_Smiles CC(=O)Oc1ccc2c(c1)[C@H](OC(C)=O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]12