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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 C17886
pubchemid 163311881
name Atractylenolide II
formula C15H20O2
structure
Isomeric_Smiles C[C@@]1(CC2(CCN(CC2)C(=O)C3=CN(N=C3)C4=CC=CC=C4OC)OC[C@@H]1O)O
Cannoical_Smiles CC1(CC2(CCN(CC2)C(=O)C3=CN(N=C3)C4=CC=CC=C4OC)OCC1O)O
Gotenzyme_Smiles C=C1CCC[C@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12