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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 C15046
pubchemid 17396043
name Pregna-5,16,20-triene-3beta,20-diol diacetate
formula C25H34O4
structure
Isomeric_Smiles CC1CC2=CC=CC=C2N1C(=O)CN3C(=C(C(=N3)C)S(=O)(=O)N4CCC5=CC=CC=C54)C
Cannoical_Smiles CC1CC2=CC=CC=C2N1C(=O)CN3C(=C(C(=N3)C)S(=O)(=O)N4CCC5=CC=CC=C54)C
Gotenzyme_Smiles C=C(OC(C)=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C