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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 C08477
pubchemid 10670
name Dianthalexin
formula C14H9NO3
structure
Isomeric_Smiles CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)CCN.Cl
Cannoical_Smiles CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)CCN.Cl
Gotenzyme_Smiles O=c1oc(-c2ccccc2)nc2cc(O)ccc12