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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 C19341
pubchemid 124490013
name Benzo[a]fluoranthene
formula C20H12
structure
Isomeric_Smiles CC(=O)OC[C@@H]([C@@H]([C@@H](C1=NC2=CC=CC=C2N=C1)OC(=O)C)OC(=O)C)OC(=O)C
Cannoical_Smiles CC(=O)OCC(C(C(C1=NC2=CC=CC=C2N=C1)OC(=O)C)OC(=O)C)OC(=O)C
Gotenzyme_Smiles c1ccc2c(c1)-c1cccc3cc4ccccc4c-2c13