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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 C14222
pubchemid 7847032
name Chrysene
formula C18H12
structure
Isomeric_Smiles C[C@@H]1CN(C[C@@H](O1)C)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2
Cannoical_Smiles CC1CN(CC(O1)C)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2
Gotenzyme_Smiles c1ccc2c(c1)ccc1c3ccccc3ccc21