Error with fusarin BGCs

mibig-secmet / mibig-json

Repository to track changes in MIBiG curation data stored in JSON format

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Error with fusarin BGCs #48

Open althonos opened 4 years ago

althonos commented 4 years ago

Affected BGC

BGC0001268
BGC0000064

Describe the error

Both BGCs are reported to produce a compound named fusarin of SMILES C/C=C(/C)\C=C(/C)\C=C(/C)\C=C\C=C(/C)\C(=O)[C@@]12[C@@H](O1)[C@](NC2=O)(CCO)O. However, the references for both clusters indicate they actually produce fusarin C, which SMILES is C/C=C(\C=C(/C)\C=C(/C)\C=C\C=C(/C)\C(=O)[C@@]12[C@@H](O1)[C@](NC2=O)(CCO)O)/C(=O)OC.

kblin commented 4 years ago

Thanks for the error report.

zdk123 commented 2 years ago

Correct pubchem entry: https://pubchem.ncbi.nlm.nih.gov/compound/6435894