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本文报道了一个小型黄酮类天然产物~(13)C NMR数据库及检索系统.系统中存有200多种黄酮类天然产物的~(13)C NMR数据.具有名称、分子式、结构和化学位移等多种检索途经.还可进行全谱图匹配和相似物图谱的寻找.检索结果中,图谱信息与化合物结构之间的关系直观,能有效地辅助人们对黄酮类天然产物~(13)C NMR图谱的解析及归属.也为总结该类化合物的。~(13)C NMR图谱规律提供了方便.
This paper reports on a 13C NMR database and retrieval system for small flavonoid natural products. The system contains more than 200 flavonoid natural product ~(13)C NMR data with names, molecular formulas, structures, and chemical shifts. Multiple search methods. Full spectrum matching and similarity map searching can also be performed. In the search results, the relationship between map information and compound structure is intuitive, which can effectively assist people’s flavonoid natural product 13 C NMR. The analysis and attribution of maps are also summarized for this class of compounds. The ~(13)C NMR map rule provides convenience.