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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 C15796
pubchemid 47205121
name (22S)-22-Hydroxycampest-4-en-3-one
formula C28H46O2
structure
Isomeric_Smiles C1=CC=C(C(=C1)C#N)OS(=O)(=O)C2=C(C=C(C=C2)F)Br
Cannoical_Smiles C1=CC=C(C(=C1)C#N)OS(=O)(=O)C2=C(C=C(C=C2)F)Br
Gotenzyme_Smiles CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C