Building an NMR database for natural products and related compounds, "SDBS-NMR-NP"
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- Hayamizu Kikuko
- NMRDBTech
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- Arifuku Kazunori
- JEOL Datum
Bibliographic Information
- Other Title
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- 天然物のNMRスペクトルデータベース「SDBS-NMR-NP」システムの作成
Description
An NMR spectral database for natural products, SDBS-NMR-NP, has been built as the development of the SDBS-NMR for general organic compounds. The chemical information, NMR data and the spectral assignments have been compiled from the literatures (Tetrahedron, Tetrahedron Letts., Magn. Reson. Chem., J. Antibiotics, J. Natural Products, J. Org. Chem., Eur. J. Org. Chem. and others). The input of chemical information is made by a ISIS/Base and the spectral information such as the shifts and J are compiled by a Microsoft Excel. The data are displayed on the web system where 13CNMR spectral patterns were shown by a Java applet. The intensities are generated from the number of the carbons for each line. The software to transform original FID patterns to the database-spectral format has been prepared for JEOL, Varian and Bruker instruments. At present, about 270 data were collected and stored in the database from the literatures in 2002.
Journal
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- Proceedings of the Symposium on Chemoinformatics
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Proceedings of the Symposium on Chemoinformatics toyoha (0), J08-J08, 2001
Division of Chemical Information and Computer Sciences The Chemical Society of Japan
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Keywords
Details 詳細情報について
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- CRID
- 1390001205737097216
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- NII Article ID
- 130004575253
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- Data Source
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- JaLC
- CiNii Articles
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- Abstract License Flag
- Disallowed