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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 C16480
pubchemid 47205776
name 4-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate
formula C7H7FO4
structure
Isomeric_Smiles CCCC(=O)NCC(=O)N1CCC2=CC=CC=C2C1
Cannoical_Smiles CCCC(=O)NCC(=O)N1CCC2=CC=CC=C2C1
Gotenzyme_Smiles O=C(O)[C@@]1(O)C=CC(F)=C[C@@H]1O