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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 C17856
pubchemid 163311857
name Atractylodinol
formula C13H10O2
structure
Isomeric_Smiles CC[C@@]1(CCC[C@@H]2[C@H]1CN(C2)CC3=CN=C(N=C3)N(C)CC(=O)O)O
Cannoical_Smiles CCC1(CCCC2C1CN(C2)CC3=CN=C(N=C3)N(C)CC(=O)O)O
Gotenzyme_Smiles OC/C=C/C#CC#C/C=C/c1ccco1