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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 C19229
pubchemid 124489901
name Dihydrosafrole
formula C10H12O2
structure
Isomeric_Smiles CCN1C(=O)C2=CC=CC=C2N3[C@@]1(CCC3=O)C(=O)NC4=CC=C(C=C4)C(=O)OC(C)C
Cannoical_Smiles CCN1C(=O)C2=CC=CC=C2N3C1(CCC3=O)C(=O)NC4=CC=C(C=C4)C(=O)OC(C)C
Gotenzyme_Smiles CCCc1ccc2c(c1)OCO2