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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 C14752
pubchemid 17395750
name alpha-Zearalanol
formula C18H26O5
structure
Isomeric_Smiles CCC(C(=O)NC1=NOC(=C1)C)NC2=C(C=C(C=C2)Br)C
Cannoical_Smiles CCC(C(=O)NC1=NOC(=C1)C)NC2=C(C=C(C=C2)Br)C
Gotenzyme_Smiles C[C@H]1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1