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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 C14645
pubchemid 17395645
name Estradiol-17-phenylpropionate
formula C27H32O3
structure
Isomeric_Smiles CC1=CC2=CC=CC=C2N1CC(=O)N3CCCC3C4=CC5=C(C=C4)OCCCO5
Cannoical_Smiles CC1=CC2=CC=CC=C2N1CC(=O)N3CCCC3C4=CC5=C(C=C4)OCCCO5
Gotenzyme_Smiles C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1