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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 C14972
pubchemid 17395970
name 3-Deoxyestrone
formula C18H22O
structure
Isomeric_Smiles CCC(C)C(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F
Cannoical_Smiles CCC(C)C(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F
Gotenzyme_Smiles C[C@]12CC[C@@H]3c4ccccc4CC[C@H]3[C@@H]1CCC2=O