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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 C00852
pubchemid 4109
name Chlorogenate
formula C16H18O9
structure
Isomeric_Smiles CC(=NOC(=O)NC)SC
Cannoical_Smiles CC(=NOC(=O)NC)SC
Gotenzyme_Smiles O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O