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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 C14852
pubchemid 17395850
name Benzo[a]pyrene-7,8-dihydrodiol
formula C20H14O2
structure
Isomeric_Smiles CN1C(=O)C=CC(=N1)C(=O)NCCOC2=CC3=CC=CC=C3C=C2
Cannoical_Smiles CN1C(=O)C=CC(=N1)C(=O)NCCOC2=CC3=CC=CC=C3C=C2
Gotenzyme_Smiles OC1C=Cc2c(cc3ccc4cccc5ccc2c3c45)C1O