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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 C09631
pubchemid 11821
name alpha-Cedrol
formula C15H26O
structure
Isomeric_Smiles C[N+]1(CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)OCC4C5=CC(=C(C=C5CC[N+]4(C)C)OC)OC)OC)OC)C.[I-].[I-]
Cannoical_Smiles C[N+]1(CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)OCC4C5=CC(=C(C=C5CC[N+]4(C)C)OC)OC)OC)OC)C.[I-].[I-]
Gotenzyme_Smiles C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@]21CC[C@@]3(C)O