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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 C11350
pubchemid 13525
name (+)-trans-alpha-Irone
formula C14H22O
structure
Isomeric_Smiles COCCNC(=O)CSP(=S)(OC)OC
Cannoical_Smiles COCCNC(=O)CSP(=S)(OC)OC
Gotenzyme_Smiles CC(=O)/C=C/[C@H]1C(C)=CC[C@H](C)C1(C)C