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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 C09208
pubchemid 11399
name Haplophytine
formula C37H40N4O7
structure
Isomeric_Smiles C1=CC=C(C=C1)C(=O)[O-].[K+]
Cannoical_Smiles C1=CC=C(C=C1)C(=O)[O-].[K+]
Gotenzyme_Smiles COc1c([C@@]23CCN(C)[C@]4(CCC(=O)N4c4c(O)cccc42)C3=O)cc2c(c1OC)N(C)[C@@H]1C=C[C@@]34CCCN5CC[C@@]21[C@]53OC(=O)C4