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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 C19079
pubchemid 124489751
name (4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone
formula C10H16O3
structure
Isomeric_Smiles CC[C@@H](OC)OC1=C(C(=NC=C1)CCl)C
Cannoical_Smiles CCC(OC)OC1=C(C(=NC=C1)CCl)C
Gotenzyme_Smiles C=C(C)[C@@H]1CCC(C)(O)OC(=O)C1