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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 C17005
pubchemid 96023489
name Callytriol C
formula C23H24O3
structure
Isomeric_Smiles C1CN[C@H](C2=C1C=CC(=C2F)O)C3=CC=C(C=C3)S
Cannoical_Smiles C1CNC(C2=C1C=CC(=C2F)O)C3=CC=C(C=C3)S
Gotenzyme_Smiles C#C/C=C\C(O)CCC/C=C\C#CC#CCCCC#CC#CC(O)CO