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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 C09690
pubchemid 11880
name alpha-Irone
formula C14H22O
structure
Isomeric_Smiles C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O
Cannoical_Smiles C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O
Gotenzyme_Smiles CC(=O)/C=C/[C@H]1C(C)=CC[C@@H](C)C1(C)C