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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 C20404
pubchemid 163312141
name 1-Deoxypentalenate
formula C15H22O2
structure
Isomeric_Smiles C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)C3(CCC3)C4=CC=C(C=C4)Cl)O
Cannoical_Smiles CC1(CCOC2(C1O)CCN(CC2)C(=O)C3(CCC3)C4=CC=C(C=C4)Cl)O
Gotenzyme_Smiles C[C@@H]1CC[C@H]2C(C(=O)O)=C[C@@H]3CC(C)(C)CC312