Pubchem compound id duplicated/wrong

[jorgemlferreira]

Hello,

Description of the issue:

m01778c and m02646c share the same pubchem.compound ID.

Expected feature/value/output:

m01778c should be 5461071 and m02646c should be 445639.

Current feature/value/output:

"m01778c" "m01778" "elaid" "C00712" "HMDB00573" "CHEBI:27997" "445639" "LMFA01030073" "" "HC00830" "elaid" "MNXM11476;MNXM306;MNXM92305" "m01778c"

"m02646c" "m02646" "ocdcea" "C00712" "HMDB00207" "CHEBI:16196" "445639" "LMFA01030002" "" "HC00510" "ocdcea" "MNXM306" "m02646c"

Reproducing these results:

NA

I hereby confirm that I have:

• Tested my code on my own computer for running the model
• Done this analysis in the master branch of the repository
• Checked that a similar issue does not exist already

[haowang-bioinfo]

@jorgemlferreira the correction of PubChem ids can be made to the metabolite annotation file.

Please make the changes to a fixing branch based on the develop branch, after forking Human-GEM repo to your local.