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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 C09849
pubchemid 12036
name beta-Citronellol
formula C10H20O
structure
Isomeric_Smiles CCOC(=O)SC(=C(C)N(CC1=CN=C(N=C1N)C)C=O)CCO.Cl
Cannoical_Smiles CCOC(=O)SC(=C(C)N(CC1=CN=C(N=C1N)C)C=O)CCO.Cl
Gotenzyme_Smiles CC(C)=CCC[C@@H](C)CCO