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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 C20262
pubchemid 163312002
name Zerumbone
formula C15H22O
structure
Isomeric_Smiles CC1=NC=C(N1)C(=O)N2C[C@H]3C[C@@H](C2)[C@@H](N4[C@H]3CCCC4=O)CC5=CC(=CC=C5)OC
Cannoical_Smiles CC1=NC=C(N1)C(=O)N2CC3CC(C2)C(N4C3CCCC4=O)CC5=CC(=CC=C5)OC
Gotenzyme_Smiles C/C1=C\CC(C)(C)/C=C/C(=O)/C(C)=C/CC1