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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 C08402
pubchemid 10598
name Cicutoxin
formula C17H22O2
structure
Isomeric_Smiles CC[Hg]N(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C
Cannoical_Smiles CC[Hg]N(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C
Gotenzyme_Smiles CCC[C@@H](O)/C=C/C=C/C=C/C#CC#CCCCO