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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 C14239
pubchemid 7847049
name 3-Deoxyestradiol
formula C18H24O
structure
Isomeric_Smiles CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC(=O)NC3=C(C=C(C=C3)C)C
Cannoical_Smiles CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC(=O)NC3=C(C=C(C=C3)C)C
Gotenzyme_Smiles C[C@]12CC[C@@H]3c4ccccc4CC[C@H]3[C@@H]1CC[C@@H]2O