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lotusnprod / lotus-web

Code for LOTUS web
https://lotus.naturalproducts.net/
MIT License
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Two entries for Valencene #23

Open steinbeck opened 2 years ago

steinbeck commented 2 years ago

If you search in LOTUS for Valencene, you get two hits: Q105219112 and Q289496. They look the same to the uninitiated user, at least in the hit list. Certainly, the one with stereochemistry should be displayed in the LOTUS hitlist accordingly.

The two original entries for Valencene in Wikidata (https://www.wikidata.org/wiki/Q289496 and http://www.wikidata.org/entity/Q105219112) are different. One has no stereochemistry but species annotations and the other one has stereochemistry. The two InChI keys are different. I guess they should still be merged on LOTUS.

Adafede commented 2 years ago

Thank you for reporting this @steinbeck!

We are currently working on a new release and some maintenance on the https://lotus.naturalproducts.net/ with @mSorok. So those things might get improved.

Regarding the specific entries, I checked them manually and curated them yet. I removed a withdrawn article (https://www.wikidata.org/wiki/Q81233935) and some others. https://www.wikidata.org/wiki/Q43623721 is mentioning eremophilene, which, without stereochemistry would fall under the same undefined stereochemistry as valencene (short inchikey).

Edit: We are aware of the 2D depiction issue giving the uninitiated user the feeling they are the same, we might need to fix this as well