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#2302 CHEBI:16596, please correct formula

None
closed
None
5
2014-03-27
2014-03-17
Anne Morgat
No

Hi ChEBI,

The formula of CHEBI:16596 is wrong.
According to the 2D structure it is C35H45O18 (and not C33H41O20)
Cheers,

Anne

Discussion

  • Steve Turner

    Steve Turner - 2014-03-23

    Hi Anne,

    This is one I corrected the structure for a while back (replacing two methyl groups by hydroxy groups) hence the formula has changed to the one with two carbons less. Both CHEBI and ACD name calculate the formula as C33H41O20, so I have left it unchanged.

    Cheers,
    Steve

     
  • Steve Turner

    Steve Turner - 2014-03-23
    • status: open --> closed
    • assigned_to: Steve Turner
    • Group: -->
     
  • Anne Morgat

    Anne Morgat - 2014-03-27

    Hi Steve,

    Sorry for the mistake.
    I thought I had sent you a mail describing my error. But as I can't retrieve it, I'm not sure that you got it...
    Well, the problem is not on CHEBI:16596 as previously reported, but rather on its conjugate CHEBI:57830.
    CHEBI:57830 has the wrong structure and consequently the wrong formula (C35H44O18)
    Please, would you replace the two methyl groups by hydroxy groups and correct the formula accordingly.
    Sorry again for the confusion
    Cheers

    Anne

     
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