Looking Up Molecules Already Previously Uploaded

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Syd Santerre

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Oct 11, 2020, 7:51:52 PM10/11/20
to SMARTNMR
Is it possible to look up if a molecule has already been uploaded to SMART? I tried uploading the peaks of a molecule's' NMR data that is already published and it came up as a whole different molecule. 

jmeg...@gmail.com

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Oct 11, 2020, 9:06:33 PM10/11/20
to Syd Santerre, SMARTNMR

Hi Syd,

 

The easiest way that I have found to do it is to go to the SMART homepage and click on “Into the Moliverse” . I’ve attached a quick pdf with step by steps I have used to find if a compound is already in SMART.

 

Cheers,
Joe

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How_To_Find_Compound_In_SMART.pdf

Chen Zhang

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Oct 12, 2020, 7:41:47 PM10/12/20
to jmeg...@gmail.com, Syd Santerre, SMARTNMR
Hi Syd,

We mainly use data from the JEOL NMR database, Marinlit and NPAtlas for this version. If you can find your compound in these databases, probably, your compound is in our database. As Joe mentioned, one way to explore the SMART database is by clicking the "Into the Moliverse" button, so as to view all compounds in the Moliverse database. Could you please share with me the SMART result link for your compound by email? I would like to look into your problem.

Best,

Chen



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Chen Zhang

PhD of Nanoengineering
Scripps Institution of Oceanography
8615 Charles F. Kennel Way, Sverdrup Hall Rm. 3220
La Jolla, CA 92037

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