Proceedings of the Symposium on Chemoinformatics
33th Symposium on Chemical Information and Computer Sciences, Tokushima
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Oral Session
An NMR database for organic natural products.
*Kikuko HayamizuAtsuko YabeKoji Yasuda
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CONFERENCE PROCEEDINGS FREE ACCESS

Pages J09

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Abstract
CH-NMR-NP is a C-13 and H-1 NMR database of organic natural products compiled from published papers. The building began in May, 2002. The present data are mainly compiled from papers in the important nine research journals issued mainly from 2000. The database is updated every half a year. The present total number of the data is 20,426 and 19,500 data were compiled from published research papers at August 2010. The DB includes the MF, MW, Name, Origin of the compound, Chemical structure with spectral assignment, Solvent, C-13 and H-H chemical shifts, H-1 splitting information, Reference and others. The DB can search by Atom numbers, MF, MW, Name, H-1 and C-13 shifts. The display of the C-13 spectrum made from the C-13 shift data is possible. The DB is available through http://www.las.jp.
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© 2010 The Chemical Society of Japan
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