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mSorok / NaturalProductsOnline

Website code for COCONUT
https://coconut.naturalproducts.net/
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Molecules missing in SDF #39

Closed JonasSchaub closed 4 years ago

JonasSchaub commented 4 years ago

On the 17th of August, I downloaded COCONUT completely both as SDF and MongoDB dump. The latter contains 21 molecules more than the SDF (426895 vs. 426916). The CNP IDs of the 21 molecules missing in the SDF are:

CNP0426896 CNP0426897 CNP0426898 CNP0426899 CNP0426900 CNP0426901 CNP0426902 CNP0426903 CNP0426904 CNP0426905 CNP0426906 CNP0426907 CNP0426908 CNP0426909 CNP0426910 CNP0426911 CNP0426912 CNP0426913 CNP0426914 CNP0426915 CNP0426916

They all have the cross reference remark 'This compound is not present in a currently existing database. It was retrieved from the following collection(s): piellabdata'. Does this maybe have something to do with it? Is it intentional that they are missing in the SDF?

Sorry for bringing this up on a Friday evening. Just ignore it until Monday!

Kind regards and have a nice weekend, Jonas

mSorok commented 4 years ago

It was a delay in the SDF export. I updated everything now