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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 C14560
pubchemid 17395560
name 4-Hydroxybenzo[a]pyrene
formula C20H12O
structure
Isomeric_Smiles CC(C1=NC(=O)C2=CC=CC=C2N1)N(C)CC3=CC=CS3
Cannoical_Smiles CC(C1=NC(=O)C2=CC=CC=C2N1)N(C)CC3=CC=CS3
Gotenzyme_Smiles Oc1cc2cc3ccccc3c3ccc4cccc1c4c23