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Some compounds cannot get cid from InChIKey by webchem but I do find it manually in Pubchem
Dear Webchem developer, I recently found that some compounds cannot get cid from InChIKey by Webchem but I do find it manually in Pubchem. for example, 2-Ethyl-5,5-dimethyl-1,3-dioxolane (RQZCPFBTIRWPRT-UHFFFAOYSA-N), Nonylphenol (XPCLSVISJWLKJE-UHFFFAOYSA-M).
all the best, Sukis
Thank you @Sukis123 for opening this issue!
This is strange, I couldn't reproduce your error.
2-Ethyl-5,5-dimethyl-1,3-dioxolane:
get_cid("RQZCPFBTIRWPRT-UHFFFAOYSA-N", from = "inchikey")
Querying RQZCPFBTIRWPRT-UHFFFAOYSA-N. OK (HTTP 200).
# A tibble: 1 x 2
query cid
<chr> <chr>
1 RQZCPFBTIRWPRT-UHFFFAOYSA-N 22754987
Nonylphenol
get_cid("XPCLSVISJWLKJE-UHFFFAOYSA-M", from = "inchikey")
Querying XPCLSVISJWLKJE-UHFFFAOYSA-M. OK (HTTP 200).
More then one Link found for 'XPCLSVISJWLKJE-UHFFFAOYSA-M'.
Returning all matches.
# A tibble: 2 x 2
query cid
<chr> <chr>
1 XPCLSVISJWLKJE-UHFFFAOYSA-M 168739
2 XPCLSVISJWLKJE-UHFFFAOYSA-M 23688932
I am using webchem 1.0.0. which was released on 28th May. Can you please check that you are running the same version?
Well, thanks a lot. I will double-check.