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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 C08670
pubchemid 10863
name Cassaine
formula C24H39NO4
structure
Isomeric_Smiles CCN(CC)CCCOC(=O)C=CC1=CC=CC=C1
Cannoical_Smiles CCN(CC)CCCOC(=O)C=CC1=CC=CC=C1
Gotenzyme_Smiles C[C@H]1/C(=C/C(=O)OCCN(C)C)CC[C@H]2[C@H]1C(=O)C[C@H]1C(C)(C)[C@@H](O)CC[C@]21C