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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:27:46 UTC

Update Date

2022-03-07 02:56:04 UTC

HMDB ID

HMDB0039103

Secondary Accession Numbers

HMDB39103

Metabolite Identification

Common Name

Gossypetin 8-glucuronide 3-glucoside

Description

Gossypetin 8-glucuronide 3-glucoside belongs to the class of organic compounds known as flavonoid-8-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C8-position. Based on a literature review very few articles have been published on Gossypetin 8-glucuronide 3-glucoside.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

  Mrv0541 05061310512D          

 46 50  0  0  0  0            999 V2000
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  6  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  4  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20  6  1  0  0  0  0
 21 10  2  0  0  0  0
 22 12  2  0  0  0  0
 22 21  1  0  0  0  0
 23 14  1  0  0  0  0
 23 20  2  0  0  0  0
 24 17  1  0  0  0  0
 25 24  1  0  0  0  0
 26 18  1  0  0  0  0
 27 19  1  0  0  0  0
 28  5  1  0  0  0  0
 29  7  1  0  0  0  0
 30  8  1  0  0  0  0
 31  9  1  0  0  0  0
 32 10  1  0  0  0  0
 33 13  1  0  0  0  0
 34 14  2  0  0  0  0
 35 15  1  0  0  0  0
 36 16  1  0  0  0  0
 37 17  1  0  0  0  0
 38 18  1  0  0  0  0
 39 19  1  0  0  0  0
 40 25  2  0  0  0  0
 41 25  1  0  0  0  0
 42 11  1  0  0  0  0
 42 26  1  0  0  0  0
 43 20  1  0  0  0  0
 43 22  1  0  0  0  0
 44 21  1  0  0  0  0
 44 27  1  0  0  0  0
 45 23  1  0  0  0  0
 45 26  1  0  0  0  0
 46 24  1  0  0  0  0
 46 27  1  0  0  0  0
M  END

HMDB0039103
     RDKit          3D
Gossypetin 8-glucuronide 3-glucoside
 74 78  0  0  0  0  0  0  0  0999 V2000
   -5.2908    1.4616    2.6012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5464    0.5434    2.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6887   -0.1118    2.9719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6986    0.2843    0.6788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8395   -0.7309    0.2233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1999   -0.9601   -1.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0998   -1.3580   -1.9114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1910   -0.5491   -2.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4548    0.0005   -3.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6969   -0.3003   -4.3584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5651    0.8131   -4.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3144    1.1288   -3.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5289    1.9306   -4.4991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0150    0.5883   -2.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1919    0.8557   -1.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0296    1.5955   -2.5437 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4774    0.2823   -0.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6647    0.5754   -0.1853 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9439    0.1280   -0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4520    0.1165    1.1036 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7651    1.3376    1.6231 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1329    1.3824    2.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1762    1.1233    1.4281 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5541    2.4733    0.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0705    3.6582    1.2215 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1432    2.2505   -0.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5216    3.1128   -1.5954 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9248    0.8437   -1.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7786    0.6510   -2.4405 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5236   -0.5121   -0.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5898   -1.1917    1.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6134   -1.4045    1.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6542   -2.0990    2.9946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4857   -2.6311    3.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4557   -3.3347    4.7445 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6713   -2.4443    2.8821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8452   -2.9657    3.4077 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6814   -1.7216    1.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6445   -0.7233   -0.8311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9450   -0.2295   -1.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3134   -1.9338   -1.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0458   -2.0771   -2.2601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2343   -1.5849    0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5411   -1.8676   -0.3197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1444   -0.1064    0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8723    0.1225    1.5692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7700    0.2598    3.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4811    1.1895    0.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5548    0.0179   -1.5536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3812   -0.8850   -3.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7828    1.2401   -5.3756 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3797    2.3118   -4.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9703   -0.9353   -0.5706 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0526    1.5228    2.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3217    2.3360    2.7959 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1705    0.5894    3.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9509    1.6811    1.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4654    2.6254    0.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8845    3.9153    0.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2202    2.5210   -0.7378 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0666    3.8989   -1.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9214    0.3094   -0.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    0.7988   -2.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4992   -0.9798    1.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5849   -2.2520    3.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3009   -3.7192    5.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7225   -2.8263    2.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6273   -1.6811    1.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8504   -2.9386   -0.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5536   -2.9473   -2.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9597   -2.1997    0.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1454   -1.5649    0.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6117    0.4722   -0.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5433    0.8183    1.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
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 12 14  1  0
 14 15  1  0
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 21 22  1  0
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 17 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36 38  2  0
 30 39  1  0
 39 40  1  0
  6 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 43 45  1  0
 45 46  1  0
 45  4  1  0
 40  8  1  0
 40 14  2  0
 28 19  1  0
 38 31  1  0
  3 47  1  0
  4 48  1  0
  6 49  1  0
 10 50  1  0
 11 51  1  0
 13 52  1  0
 19 53  1  0
 21 54  1  0
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 22 56  1  0
 23 57  1  0
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 25 59  1  0
 26 60  1  0
 27 61  1  0
 28 62  1  0
 29 63  1  0
 32 64  1  0
 33 65  1  0
 35 66  1  0
 37 67  1  0
 38 68  1  0
 41 69  1  0
 42 70  1  0
 43 71  1  0
 44 72  1  0
 45 73  1  0
 46 74  1  0
M  END

  Mrv0541 05061310512D          

 46 50  0  0  0  0            999 V2000
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  6  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  4  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20  6  1  0  0  0  0
 21 10  2  0  0  0  0
 22 12  2  0  0  0  0
 22 21  1  0  0  0  0
 23 14  1  0  0  0  0
 23 20  2  0  0  0  0
 24 17  1  0  0  0  0
 25 24  1  0  0  0  0
 26 18  1  0  0  0  0
 27 19  1  0  0  0  0
 28  5  1  0  0  0  0
 29  7  1  0  0  0  0
 30  8  1  0  0  0  0
 31  9  1  0  0  0  0
 32 10  1  0  0  0  0
 33 13  1  0  0  0  0
 34 14  2  0  0  0  0
 35 15  1  0  0  0  0
 36 16  1  0  0  0  0
 37 17  1  0  0  0  0
 38 18  1  0  0  0  0
 39 19  1  0  0  0  0
 40 25  2  0  0  0  0
 41 25  1  0  0  0  0
 42 11  1  0  0  0  0
 42 26  1  0  0  0  0
 43 20  1  0  0  0  0
 43 22  1  0  0  0  0
 44 21  1  0  0  0  0
 44 27  1  0  0  0  0
 45 23  1  0  0  0  0
 45 26  1  0  0  0  0
 46 24  1  0  0  0  0
 46 27  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039103

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3OC3OC(C(O)C(O)C3O)C(O)=O)C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H28O19/c28-5-11-13(33)15(35)18(38)26(42-11)45-23-14(34)12-9(31)4-10(32)21(22(12)43-20(23)6-1-2-7(29)8(30)3-6)44-27-19(39)16(36)17(37)24(46-27)25(40)41/h1-4,11,13,15-19,24,26-33,35-39H,5H2,(H,40,41)

> <INCHI_KEY>
YGWFDAMCHDILHX-UHFFFAOYSA-N

> <FORMULA>
C27H28O19

> <MOLECULAR_WEIGHT>
656.4998

> <EXACT_MASS>
656.122478714

> <JCHEM_ACCEPTOR_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
59.33150463858388

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
12

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-8-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
-0.04

> <JCHEM_LOGP>
-2.3961941729999996

> <ALOGPS_LOGS>
-1.92

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.819799295081708

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.5571496761396855

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9542529853567645

> <JCHEM_POLAR_SURFACE_AREA>
323.05000000000007

> <JCHEM_REFRACTIVITY>
143.2682

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.87e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-8-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0039103
     RDKit          3D
Gossypetin 8-glucuronide 3-glucoside
 74 78  0  0  0  0  0  0  0  0999 V2000
   -5.2908    1.4616    2.6012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5464    0.5434    2.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6887   -0.1118    2.9719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6986    0.2843    0.6788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8395   -0.7309    0.2233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1999   -0.9601   -1.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0998   -1.3580   -1.9114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1910   -0.5491   -2.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4548    0.0005   -3.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6969   -0.3003   -4.3584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5651    0.8131   -4.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3144    1.1288   -3.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5289    1.9306   -4.4991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0150    0.5883   -2.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1919    0.8557   -1.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0296    1.5955   -2.5437 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4774    0.2823   -0.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6647    0.5754   -0.1853 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9439    0.1280   -0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4520    0.1165    1.1036 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7651    1.3376    1.6231 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1329    1.3824    2.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1762    1.1233    1.4281 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5541    2.4733    0.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0705    3.6582    1.2215 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1432    2.2505   -0.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5216    3.1128   -1.5954 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9248    0.8437   -1.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7786    0.6510   -2.4405 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5236   -0.5121   -0.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5898   -1.1917    1.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6134   -1.4045    1.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6542   -2.0990    2.9946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4857   -2.6311    3.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4557   -3.3347    4.7445 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6713   -2.4443    2.8821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8452   -2.9657    3.4077 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6814   -1.7216    1.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6445   -0.7233   -0.8311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9450   -0.2295   -1.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3134   -1.9338   -1.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0458   -2.0771   -2.2601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2343   -1.5849    0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5411   -1.8676   -0.3197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1444   -0.1064    0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8723    0.1225    1.5692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7700    0.2598    3.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4811    1.1895    0.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5548    0.0179   -1.5536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3812   -0.8850   -3.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7828    1.2401   -5.3756 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3797    2.3118   -4.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9703   -0.9353   -0.5706 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0526    1.5228    2.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3217    2.3360    2.7959 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1705    0.5894    3.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9509    1.6811    1.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4654    2.6254    0.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8845    3.9153    0.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2202    2.5210   -0.7378 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0666    3.8989   -1.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9214    0.3094   -0.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    0.7988   -2.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4992   -0.9798    1.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5849   -2.2520    3.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3009   -3.7192    5.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7225   -2.8263    2.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6273   -1.6811    1.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8504   -2.9386   -0.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5536   -2.9473   -2.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9597   -2.1997    0.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1454   -1.5649    0.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6117    0.4722   -0.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5433    0.8183    1.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
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 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
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 26 28  1  0
 28 29  1  0
 17 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36 38  2  0
 30 39  1  0
 39 40  1  0
  6 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 43 45  1  0
 45 46  1  0
 45  4  1  0
 40  8  1  0
 40 14  2  0
 28 19  1  0
 38 31  1  0
  3 47  1  0
  4 48  1  0
  6 49  1  0
 10 50  1  0
 11 51  1  0
 13 52  1  0
 19 53  1  0
 21 54  1  0
 22 55  1  0
 22 56  1  0
 23 57  1  0
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 25 59  1  0
 26 60  1  0
 27 61  1  0
 28 62  1  0
 29 63  1  0
 32 64  1  0
 33 65  1  0
 35 66  1  0
 37 67  1  0
 38 68  1  0
 41 69  1  0
 42 70  1  0
 43 71  1  0
 44 72  1  0
 45 73  1  0
 46 74  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.335   6.160   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -5.335   4.620   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -6.668   3.850   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       8.002   4.620   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       8.002   1.540   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -4.001   8.470   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -6.668   6.930   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -1.334   6.930   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -6.668   2.310   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -8.002   4.620   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       1.334   2.310   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0      -4.001   3.850   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    7                                                       
CONECT    3    6    8                                                       
CONECT    4    9   10                                                       
CONECT    5   11   28                                                       
CONECT    6    1    3   20                                                  
CONECT    7    2    8   29                                                  
CONECT    8    3    7   30                                                  
CONECT    9    4   12   31                                                  
CONECT   10    4   21   32                                                  
CONECT   11    5   13   42                                                  
CONECT   12    9   14   22                                                  
CONECT   13   11   15   33                                                  
CONECT   14   12   23   34                                                  
CONECT   15   13   18   35                                                  
CONECT   16   17   19   36                                                  
CONECT   17   16   24   37                                                  
CONECT   18   15   26   38                                                  
CONECT   19   16   27   39                                                  
CONECT   20    6   23   43                                                  
CONECT   21   10   22   44                                                  
CONECT   22   12   21   43                                                  
CONECT   23   14   20   45                                                  
CONECT   24   17   25   46                                                  
CONECT   25   24   40   41                                                  
CONECT   26   18   42   45                                                  
CONECT   27   19   44   46                                                  
CONECT   28    5                                                            
CONECT   29    7                                                            
CONECT   30    8                                                            
CONECT   31    9                                                            
CONECT   32   10                                                            
CONECT   33   13                                                            
CONECT   34   14                                                            
CONECT   35   15                                                            
CONECT   36   16                                                            
CONECT   37   17                                                            
CONECT   38   18                                                            
CONECT   39   19                                                            
CONECT   40   25                                                            
CONECT   41   25                                                            
CONECT   42   11   26                                                       
CONECT   43   20   22                                                       
CONECT   44   21   27                                                       
CONECT   45   23   26                                                       
CONECT   46   24   27                                                       
MASTER        0    0    0    0    0    0    0    0   46    0  100    0
END

COMPND    HMDB0039103
HETATM    1  O1  UNL     1      -5.291   1.462   2.601  1.00  0.00           O  
HETATM    2  C1  UNL     1      -4.546   0.543   2.129  1.00  0.00           C  
HETATM    3  O2  UNL     1      -3.689  -0.112   2.972  1.00  0.00           O  
HETATM    4  C2  UNL     1      -4.699   0.284   0.679  1.00  0.00           C  
HETATM    5  O3  UNL     1      -3.840  -0.731   0.223  1.00  0.00           O  
HETATM    6  C3  UNL     1      -4.200  -0.960  -1.139  1.00  0.00           C  
HETATM    7  O4  UNL     1      -3.100  -1.358  -1.911  1.00  0.00           O  
HETATM    8  C4  UNL     1      -2.191  -0.549  -2.528  1.00  0.00           C  
HETATM    9  C5  UNL     1      -2.455   0.001  -3.759  1.00  0.00           C  
HETATM   10  O5  UNL     1      -3.697  -0.300  -4.358  1.00  0.00           O  
HETATM   11  C6  UNL     1      -1.565   0.813  -4.406  1.00  0.00           C  
HETATM   12  C7  UNL     1      -0.314   1.129  -3.830  1.00  0.00           C  
HETATM   13  O6  UNL     1       0.529   1.931  -4.499  1.00  0.00           O  
HETATM   14  C8  UNL     1      -0.015   0.588  -2.588  1.00  0.00           C  
HETATM   15  C9  UNL     1       1.192   0.856  -1.993  1.00  0.00           C  
HETATM   16  O7  UNL     1       2.030   1.596  -2.544  1.00  0.00           O  
HETATM   17  C10 UNL     1       1.477   0.282  -0.736  1.00  0.00           C  
HETATM   18  O8  UNL     1       2.665   0.575  -0.185  1.00  0.00           O  
HETATM   19  C11 UNL     1       3.944   0.128  -0.201  1.00  0.00           C  
HETATM   20  O9  UNL     1       4.452   0.116   1.104  1.00  0.00           O  
HETATM   21  C12 UNL     1       4.765   1.338   1.623  1.00  0.00           C  
HETATM   22  C13 UNL     1       6.133   1.382   2.274  1.00  0.00           C  
HETATM   23  O10 UNL     1       7.176   1.123   1.428  1.00  0.00           O  
HETATM   24  C14 UNL     1       4.554   2.473   0.672  1.00  0.00           C  
HETATM   25  O11 UNL     1       5.070   3.658   1.222  1.00  0.00           O  
HETATM   26  C15 UNL     1       5.143   2.251  -0.703  1.00  0.00           C  
HETATM   27  O12 UNL     1       4.522   3.113  -1.595  1.00  0.00           O  
HETATM   28  C16 UNL     1       4.925   0.844  -1.107  1.00  0.00           C  
HETATM   29  O13 UNL     1       4.779   0.651  -2.440  1.00  0.00           O  
HETATM   30  C17 UNL     1       0.524  -0.512  -0.177  1.00  0.00           C  
HETATM   31  C18 UNL     1       0.590  -1.192   1.100  1.00  0.00           C  
HETATM   32  C19 UNL     1      -0.613  -1.405   1.815  1.00  0.00           C  
HETATM   33  C20 UNL     1      -0.654  -2.099   2.995  1.00  0.00           C  
HETATM   34  C21 UNL     1       0.486  -2.631   3.551  1.00  0.00           C  
HETATM   35  O14 UNL     1       0.456  -3.335   4.745  1.00  0.00           O  
HETATM   36  C22 UNL     1       1.671  -2.444   2.882  1.00  0.00           C  
HETATM   37  O15 UNL     1       2.845  -2.966   3.408  1.00  0.00           O  
HETATM   38  C23 UNL     1       1.681  -1.722   1.663  1.00  0.00           C  
HETATM   39  O16 UNL     1      -0.645  -0.723  -0.831  1.00  0.00           O  
HETATM   40  C24 UNL     1      -0.945  -0.230  -1.968  1.00  0.00           C  
HETATM   41  C25 UNL     1      -5.313  -1.934  -1.098  1.00  0.00           C  
HETATM   42  O17 UNL     1      -6.046  -2.077  -2.260  1.00  0.00           O  
HETATM   43  C26 UNL     1      -6.234  -1.585   0.081  1.00  0.00           C  
HETATM   44  O18 UNL     1      -7.541  -1.868  -0.320  1.00  0.00           O  
HETATM   45  C27 UNL     1      -6.144  -0.106   0.427  1.00  0.00           C  
HETATM   46  O19 UNL     1      -6.872   0.122   1.569  1.00  0.00           O  
HETATM   47  H1  UNL     1      -2.770   0.260   3.228  1.00  0.00           H  
HETATM   48  H2  UNL     1      -4.481   1.190   0.111  1.00  0.00           H  
HETATM   49  H3  UNL     1      -4.555   0.018  -1.554  1.00  0.00           H  
HETATM   50  H4  UNL     1      -4.381  -0.885  -3.945  1.00  0.00           H  
HETATM   51  H5  UNL     1      -1.783   1.240  -5.376  1.00  0.00           H  
HETATM   52  H6  UNL     1       1.380   2.312  -4.406  1.00  0.00           H  
HETATM   53  H7  UNL     1       3.970  -0.935  -0.571  1.00  0.00           H  
HETATM   54  H8  UNL     1       4.053   1.523   2.482  1.00  0.00           H  
HETATM   55  H9  UNL     1       6.322   2.336   2.796  1.00  0.00           H  
HETATM   56  H10 UNL     1       6.171   0.589   3.075  1.00  0.00           H  
HETATM   57  H11 UNL     1       7.951   1.681   1.690  1.00  0.00           H  
HETATM   58  H12 UNL     1       3.465   2.625   0.547  1.00  0.00           H  
HETATM   59  H13 UNL     1       5.885   3.915   0.688  1.00  0.00           H  
HETATM   60  H14 UNL     1       6.220   2.521  -0.738  1.00  0.00           H  
HETATM   61  H15 UNL     1       5.067   3.899  -1.838  1.00  0.00           H  
HETATM   62  H16 UNL     1       5.921   0.309  -0.854  1.00  0.00           H  
HETATM   63  H17 UNL     1       5.664   0.799  -2.868  1.00  0.00           H  
HETATM   64  H18 UNL     1      -1.499  -0.980   1.380  1.00  0.00           H  
HETATM   65  H19 UNL     1      -1.585  -2.252   3.532  1.00  0.00           H  
HETATM   66  H20 UNL     1       1.301  -3.719   5.142  1.00  0.00           H  
HETATM   67  H21 UNL     1       3.722  -2.826   2.914  1.00  0.00           H  
HETATM   68  H22 UNL     1       2.627  -1.681   1.212  1.00  0.00           H  
HETATM   69  H23 UNL     1      -4.850  -2.939  -0.845  1.00  0.00           H  
HETATM   70  H24 UNL     1      -6.554  -2.947  -2.273  1.00  0.00           H  
HETATM   71  H25 UNL     1      -5.960  -2.200   0.959  1.00  0.00           H  
HETATM   72  H26 UNL     1      -8.145  -1.565   0.404  1.00  0.00           H  
HETATM   73  H27 UNL     1      -6.612   0.472  -0.396  1.00  0.00           H  
HETATM   74  H28 UNL     1      -7.543   0.818   1.520  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   47
CONECT    4    5   45   48
CONECT    5    6
CONECT    6    7   41   49
CONECT    7    8
CONECT    8    9    9   40
CONECT    9   10   11
CONECT   10   50
CONECT   11   12   12   51
CONECT   12   13   14
CONECT   13   52
CONECT   14   15   40   40
CONECT   15   16   16   17
CONECT   17   18   30   30
CONECT   18   19
CONECT   19   20   28   53
CONECT   20   21
CONECT   21   22   24   54
CONECT   22   23   55   56
CONECT   23   57
CONECT   24   25   26   58
CONECT   25   59
CONECT   26   27   28   60
CONECT   27   61
CONECT   28   29   62
CONECT   29   63
CONECT   30   31   39
CONECT   31   32   32   38
CONECT   32   33   64
CONECT   33   34   34   65
CONECT   34   35   36
CONECT   35   66
CONECT   36   37   38   38
CONECT   37   67
CONECT   38   68
CONECT   39   40
CONECT   41   42   43   69
CONECT   42   70
CONECT   43   44   45   71
CONECT   44   72
CONECT   45   46   73
CONECT   46   74
END

HMDB0039103
     RDKit          3D
Gossypetin 8-glucuronide 3-glucoside
 74 78  0  0  0  0  0  0  0  0999 V2000
   -5.2908    1.4616    2.6012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5464    0.5434    2.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6887   -0.1118    2.9719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6986    0.2843    0.6788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8395   -0.7309    0.2233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1999   -0.9601   -1.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0998   -1.3580   -1.9114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1910   -0.5491   -2.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4548    0.0005   -3.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6969   -0.3003   -4.3584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5651    0.8131   -4.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3144    1.1288   -3.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5289    1.9306   -4.4991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0150    0.5883   -2.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1919    0.8557   -1.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0296    1.5955   -2.5437 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4774    0.2823   -0.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6647    0.5754   -0.1853 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9439    0.1280   -0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4520    0.1165    1.1036 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7651    1.3376    1.6231 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1329    1.3824    2.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1762    1.1233    1.4281 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5541    2.4733    0.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0705    3.6582    1.2215 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1432    2.2505   -0.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5216    3.1128   -1.5954 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9248    0.8437   -1.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7786    0.6510   -2.4405 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5236   -0.5121   -0.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5898   -1.1917    1.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6134   -1.4045    1.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6542   -2.0990    2.9946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4857   -2.6311    3.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4557   -3.3347    4.7445 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6713   -2.4443    2.8821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8452   -2.9657    3.4077 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6814   -1.7216    1.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6445   -0.7233   -0.8311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9450   -0.2295   -1.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3134   -1.9338   -1.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0458   -2.0771   -2.2601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2343   -1.5849    0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5411   -1.8676   -0.3197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1444   -0.1064    0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8723    0.1225    1.5692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7700    0.2598    3.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4811    1.1895    0.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5548    0.0179   -1.5536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3812   -0.8850   -3.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7828    1.2401   -5.3756 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3797    2.3118   -4.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9703   -0.9353   -0.5706 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0526    1.5228    2.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3217    2.3360    2.7959 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1705    0.5894    3.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9509    1.6811    1.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4654    2.6254    0.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8845    3.9153    0.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2202    2.5210   -0.7378 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0666    3.8989   -1.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9214    0.3094   -0.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    0.7988   -2.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4992   -0.9798    1.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5849   -2.2520    3.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3009   -3.7192    5.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7225   -2.8263    2.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6273   -1.6811    1.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8504   -2.9386   -0.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5536   -2.9473   -2.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9597   -2.1997    0.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1454   -1.5649    0.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6117    0.4722   -0.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5433    0.8183    1.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 17 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36 38  2  0
 30 39  1  0
 39 40  1  0
  6 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 43 45  1  0
 45 46  1  0
 45  4  1  0
 40  8  1  0
 40 14  2  0
 28 19  1  0
 38 31  1  0
  3 47  1  0
  4 48  1  0
  6 49  1  0
 10 50  1  0
 11 51  1  0
 13 52  1  0
 19 53  1  0
 21 54  1  0
 22 55  1  0
 22 56  1  0
 23 57  1  0
 24 58  1  0
 25 59  1  0
 26 60  1  0
 27 61  1  0
 28 62  1  0
 29 63  1  0
 32 64  1  0
 33 65  1  0
 35 66  1  0
 37 67  1  0
 38 68  1  0
 41 69  1  0
 42 70  1  0
 43 71  1  0
 44 72  1  0
 45 73  1  0
 46 74  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-8-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate	HMDB

Chemical Formula

C₂₇H₂₈O₁₉

Average Molecular Weight

656.4998

Monoisotopic Molecular Weight

656.122478714

IUPAC Name

6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-8-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Traditional Name

6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-8-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS Registry Number

135010-45-6

SMILES

OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3OC3OC(C(O)C(O)C3O)C(O)=O)C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C27H28O19/c28-5-11-13(33)15(35)18(38)26(42-11)45-23-14(34)12-9(31)4-10(32)21(22(12)43-20(23)6-1-2-7(29)8(30)3-6)44-27-19(39)16(36)17(37)24(46-27)25(40)41/h1-4,11,13,15-19,24,26-33,35-39H,5H2,(H,40,41)

InChI Key

YGWFDAMCHDILHX-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-8-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C8-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-8-O-glucuronides

Alternative Parents

Substituents

Flavonoid-8-o-glucuronide
Flavonoid-3-o-glycoside
Flavonoid-8-o-glycoside
3'-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Flavone
Hydroxyflavonoid
Phenolic glycoside
1-o-glucuronide
O-glucuronide
Glucuronic acid or derivatives
Chromone
Glycosyl compound
O-glycosyl compound
1-benzopyran
Benzopyran
Catechol
Pyranone
Phenol
Beta-hydroxy acid
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Pyran
Benzenoid
Oxane
Monocyclic benzene moiety
Monosaccharide
Hydroxy acid
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Carboxylic acid
Carboxylic acid derivative
Acetal
Polyol
Oxacycle
Hydrocarbon derivative
Carbonyl group
Primary alcohol
Organic oxygen compound
Organooxygen compound
Alcohol
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0039103)

Organ

Liver (HMDB: HMDB0039103)
Kidney (HMDB: HMDB0039103)

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0039103)

Cellular substructure

Extracellular (HMDB: HMDB0039103)
Cytoplasm (HMDB: HMDB0039103)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0039103)

Source

Endogenous

Endogenous (HMDB: HMDB0039103)

Plant

Plant (HMDB: HMDB0039103)

Exogenous

Food

Food (HMDB: HMDB0039103)

Tea

Vegetable

Leaf vegetable

Green vegetables (FooDB: FOOD00872)

Exogenous (HMDB: HMDB0039103)

Process

Not Available

Role

Biological role

Waste product (HMDB: HMDB0039103)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	7.87 g/L	ALOGPS
logP	-0.04	ALOGPS
logP	-2.4	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	2.56	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	19	ChemAxon
Hydrogen Donor Count	12	ChemAxon
Polar Surface Area	323.05 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	143.27 m³·mol⁻¹	ChemAxon
Polarizability	59.33 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	246.795	31661259
DarkChem	[M-H]-	234.072	31661259
DeepCCS	[M+H]+	232.234	30932474
DeepCCS	[M-H]-	230.41	30932474
DeepCCS	[M-2H]-	263.651	30932474
DeepCCS	[M+Na]+	237.966	30932474
AllCCS	[M+H]+	235.2	32859911
AllCCS	[M+H-H2O]+	234.2	32859911
AllCCS	[M+NH4]+	236.1	32859911
AllCCS	[M+Na]+	236.4	32859911
AllCCS	[M-H]-	234.8	32859911
AllCCS	[M+Na-2H]-	237.1	32859911
AllCCS	[M+HCOO]-	239.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Gossypetin 8-glucuronide 3-glucoside	OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3OC3OC(C(O)C(O)C3O)C(O)=O)C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	6113.5	Standard polar	33892256
Gossypetin 8-glucuronide 3-glucoside	OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3OC3OC(C(O)C(O)C3O)C(O)=O)C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	5559.7	Standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside	OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3OC3OC(C(O)C(O)C3O)C(O)=O)C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	6012.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Gossypetin 8-glucuronide 3-glucoside,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5893.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TMS,isomer #10	C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	5938.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TMS,isomer #11	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C1O	5921.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TMS,isomer #12	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C1O	5925.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5940.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O)C1O	5913.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TMS,isomer #4	C[Si](C)(C)OC1C(C(=O)O)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C1O	5920.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TMS,isomer #5	C[Si](C)(C)OC1C(O)C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)OC(C(=O)O)C1O	5925.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TMS,isomer #6	C[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)OC(C(=O)O)C(O)C1O	5937.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TMS,isomer #7	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5875.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TMS,isomer #8	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)=CC=C1O	5947.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TMS,isomer #9	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	5964.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5767.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5775.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5782.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #12	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O)C1O	5765.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #13	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5762.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5781.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5782.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #16	C[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5805.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #17	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	5777.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #18	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)=CC=C1O	5750.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5788.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5742.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5769.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O2	5792.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O)C1O	5780.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #23	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O)C1O	5769.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #24	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O)C1O	5788.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #25	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	5780.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #26	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)=CC=C1O	5760.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #27	C[Si](C)(C)OC(=O)C1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5759.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #28	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O	5774.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #29	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O	5776.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5763.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C	5795.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #31	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O[Si](C)(C)C	5771.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #32	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C1O	5780.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #33	C[Si](C)(C)OC1C(C(=O)O)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C3=O)C(O)C1O	5767.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #34	C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	5787.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #35	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5768.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #36	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3O2)=CC=C1O	5744.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #37	C[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)OC(C(=O)O)C(O[Si](C)(C)C)C1O	5801.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #38	C[Si](C)(C)OC1C(C(=O)O)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C1O[Si](C)(C)C	5797.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #39	C[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)OC(C(=O)O)C(O)C1O[Si](C)(C)C	5833.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5774.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #40	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O)C1O	5783.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #41	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C1O	5771.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #42	C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	5787.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #43	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5757.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #44	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O	5729.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #45	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O[Si](C)(C)C)C1O	5759.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #46	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C1O	5800.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #47	C[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C3=O)OC(C(=O)O)C(O)C1O	5788.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #48	C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	5808.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #49	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5794.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5776.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #50	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O	5770.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #51	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O[Si](C)(C)C)C(O)C1O	5777.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #52	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C3=O)C(O)C(O)C1O	5756.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #53	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C3=O)C(O)C(O)C1O	5747.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #54	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C3=O)C(O)C(O)C1O	5764.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #55	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5753.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #56	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5729.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #57	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)=CC=C1O	5748.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #58	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)=CC=C1O	5718.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #59	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)=CC=C1O	5755.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5794.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #60	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5761.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #61	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	5774.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #62	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	5748.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #63	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	5782.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #64	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O	5792.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #65	C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C	5817.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #66	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C	5796.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5772.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5775.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5791.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5577.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5612.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #100	C[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O2	5659.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #101	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O)C1O	5652.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #102	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O)C1O	5662.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #103	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	5635.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #104	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)=CC=C1O	5609.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #105	C[Si](C)(C)OC(=O)C1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C3=O)C(O)C(O)C1O	5632.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #106	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O	5661.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #107	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O	5659.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #108	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C	5687.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #109	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O)C1O	5681.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5524.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #110	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	5597.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #111	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)=CC=C1O	5569.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #112	C[Si](C)(C)OC(=O)C1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C3=O)C(O)C(O)C1O	5599.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #113	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O	5636.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #114	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O	5631.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #115	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C	5661.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #116	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	5641.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #117	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)=CC=C1O	5616.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #118	C[Si](C)(C)OC(=O)C1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C3=O)C(O)C(O)C1O	5631.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #119	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O	5663.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5564.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #120	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O	5659.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #121	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C	5689.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #122	C[Si](C)(C)OC(=O)C1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5585.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #123	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5635.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #124	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5616.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #125	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5661.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #126	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5635.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #127	C[Si](C)(C)OC(=O)C1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5559.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #128	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3O2)=CC=C1O	5608.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #129	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O	5591.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5535.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #130	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O	5637.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #131	C[Si](C)(C)OC(=O)C1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O[Si](C)(C)C)C(O)C1O	5659.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #132	C[Si](C)(C)OC(=O)C1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O[Si](C)(C)C)C1O	5618.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #133	C[Si](C)(C)OC(=O)C1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O[Si](C)(C)C	5647.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #134	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5657.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #135	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5675.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #136	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5708.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #137	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C3=O)C(O)C(O)C1O[Si](C)(C)C	5651.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #138	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C3=O)C(O)C(O)C1O[Si](C)(C)C	5623.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #139	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C3=O)C(O)C(O)C1O[Si](C)(C)C	5649.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5589.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #140	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O[Si](C)(C)C	5601.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #141	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O[Si](C)(C)C	5571.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #142	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5689.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #143	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5651.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #144	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5617.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #145	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3O2)=CC=C1O	5590.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #146	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O)C1O	5649.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #147	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C1O	5662.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #148	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O	5642.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #149	C[Si](C)(C)OC1C(C(=O)O)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C3=O)C(O)C1O	5635.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5561.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #150	C[Si](C)(C)OC1C(C(=O)O)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C3=O)C(O)C1O	5657.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #151	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5578.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #152	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3O2)=CC=C1O	5550.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #153	C[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C3=O)OC(C(=O)O)C(O[Si](C)(C)C)C1O	5635.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #154	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C1O	5625.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #155	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5619.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #156	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3O2)=CC=C1O	5594.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #157	C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	5648.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #158	C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	5659.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #159	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5603.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5536.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #160	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5622.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #161	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5616.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #162	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O	5577.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #163	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O	5596.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #164	C[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5713.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #165	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C1O	5692.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #166	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C1O	5668.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #167	C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	5695.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #168	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	5651.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #169	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)=CC=C1O	5626.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5586.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #170	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5681.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #171	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5598.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #172	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O	5572.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #173	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C3=O)C(O)C(O[Si](C)(C)C)C1O	5626.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #174	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O	5635.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #175	C[Si](C)(C)OC1C(O)C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C3=O)OC(C(=O)O)C1O	5632.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #176	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5562.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #177	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O	5532.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #178	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C3=O)C(O)C(O[Si](C)(C)C)C1O	5595.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #179	C[Si](C)(C)OC1C(O)C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C3=O)OC(C(=O)O)C1O	5655.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5538.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #180	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5600.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #181	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O	5573.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #182	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C3=O)C(O)C(O[Si](C)(C)C)C1O	5620.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #183	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O[Si](C)(C)C)C1O	5564.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #184	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	5595.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #185	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O[Si](C)(C)C)C1O	5531.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #186	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5639.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #187	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O	5614.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #188	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C3=O)C(O[Si](C)(C)C)C(O)C1O	5659.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #189	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O	5663.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5580.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #190	C[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C3=O)OC(C(=O)O)C(O)C1O	5657.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #191	C[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C3=O)OC(C(=O)O)C(O)C1O	5682.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #192	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5605.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #193	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O	5578.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #194	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C3=O)C(O[Si](C)(C)C)C(O)C1O	5633.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #195	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5643.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #196	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O	5617.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #197	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C(O)C1O	5660.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #198	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O[Si](C)(C)C)C(O)C1O	5616.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #199	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	5642.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5560.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5634.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #200	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O[Si](C)(C)C)C(O)C1O	5587.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #201	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C3=O)C(O)C(O)C1O	5616.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #202	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C3=O)C(O)C(O)C1O	5623.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #203	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C3=O)C(O)C(O)C1O	5580.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #204	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C3=O)C(O)C(O)C1O	5549.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #205	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C3=O)C(O)C(O)C1O	5642.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #206	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C3=O)C(O)C(O)C1O	5539.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #207	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C3=O)C(O)C(O)C1O	5505.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #208	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C3=O)C(O)C(O)C1O	5585.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #209	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C3=O)C(O)C(O)C1O	5554.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5606.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #210	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5576.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #211	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)=CC=C1O	5568.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #212	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)=CC=C1O	5576.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #213	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5614.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #214	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)=CC=C1O	5594.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #215	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5576.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #216	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5622.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #217	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	5595.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #218	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	5605.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #219	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	5621.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5646.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #220	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5691.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)C(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5606.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)C(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5591.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5628.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5599.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5625.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5641.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5654.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5595.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5641.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5625.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5654.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5630.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5649.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5686.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5634.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5614.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5650.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #39	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5621.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5569.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5646.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5665.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5651.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #43	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5676.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #44	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5653.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #45	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5673.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #46	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5612.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #47	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5662.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #48	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5634.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #49	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5659.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5620.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #50	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5643.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #51	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5615.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #52	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5642.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #53	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5675.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #54	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5694.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #55	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5653.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #56	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O)C1O	5652.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #57	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O)C1O	5619.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #58	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O)C1O	5653.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #59	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	5610.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5596.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #60	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)=CC=C1O	5579.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #61	C[Si](C)(C)OC(=O)C1OC(OC2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5598.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #62	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O	5646.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #63	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O	5640.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #64	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C	5674.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #65	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C3=O)C(O)C(O)C1O	5618.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #66	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C3=O)C(O)C(O)C1O	5580.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #67	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C3=O)C(O)C(O)C1O	5616.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #68	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5563.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #69	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5530.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5577.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #70	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O[Si](C)(C)C)C(O)C1O	5648.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #71	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O[Si](C)(C)C)C1O	5604.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #72	C[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O[Si](C)(C)C	5638.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #73	C[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5644.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #74	C[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5661.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #75	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5610.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #76	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3O2)=CC=C1O	5581.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #77	C[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5654.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #78	C[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5623.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #79	C[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O2	5652.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5617.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #80	C[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5693.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #81	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5584.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #82	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O	5556.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #83	C[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O)C2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5645.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #84	C[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5610.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #85	C[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O2	5643.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #86	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5639.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #87	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O	5610.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #88	C[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C)C2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5677.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #89	C[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C)C2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5646.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5572.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #90	C[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O2	5677.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #91	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	5612.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #92	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	5567.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #93	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	5618.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #94	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5606.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #95	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)=CC=C1O	5582.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #96	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)=CC=C1O	5534.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #97	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)=CC=C1O	5589.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #98	C[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5634.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,3TMS,isomer #99	C[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O2	5643.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	6090.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	6152.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C1O	6140.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C1O	6151.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	6125.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O)C1O	6098.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C1O	6139.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(O)C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)OC(C(=O)O)C1O	6147.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)OC(C(=O)O)C(O)C1O	6158.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	6119.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)=CC=C1O	6125.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	6147.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	6087.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	6095.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	6103.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O)C1O	6096.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	6112.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	6109.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	6115.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	6138.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	6120.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)=CC=C1O	6088.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	6122.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	6049.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)=C(C1=CC=C(O)C(O)=C1)O2	6096.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(OC2OC(C(=O)O)C(O)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C(O)=C1)O2	6120.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O)C1O	6115.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O)C1O	6097.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O)C1O	6122.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	6118.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)=CC=C1O	6089.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	6112.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	6105.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	6112.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	6104.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	6134.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	6123.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C1O	6123.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C3=O)C(O)C1O	6100.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	6124.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	6101.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)=CC=C1O	6067.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O	6136.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C1O[Si](C)(C)C(C)(C)C	6125.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)OC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C	6170.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	6092.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O)C1O	6125.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C1O	6100.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	6126.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	6101.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)=CC=C1O	6066.3	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	6115.0	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C1O	6149.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C3=O)OC(C(=O)O)C(O)C1O	6126.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	6152.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	6129.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	6092.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)=CC=C1O	6097.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	6135.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C3=O)C(O)C(O)C1O	6119.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C3=O)C(O)C(O)C1O	6096.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C3=O)C(O)C(O)C1O	6119.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	6106.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	6078.9	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)=CC=C1O	6071.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)=CC=C1O	6036.8	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #59	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)=CC=C1O	6071.2	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	6116.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #60	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	6105.5	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	6106.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	6074.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3O2)C=C1O	6105.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #64	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O	6125.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	6146.7	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #66	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C(C)(C)C	6119.6	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	6095.4	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	6092.1	Semi standard non polar	33892256
Gossypetin 8-glucuronide 3-glucoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	6110.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_1_11) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_1_12) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gossypetin 8-glucuronide 3-glucoside GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gossypetin 8-glucuronide 3-glucoside 10V, Positive-QTOF	splash10-07es-0102904000-00a42c7b09db10e0cb41	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gossypetin 8-glucuronide 3-glucoside 20V, Positive-QTOF	splash10-014i-0209801000-399694c4a67295d30609	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gossypetin 8-glucuronide 3-glucoside 40V, Positive-QTOF	splash10-014i-1409200000-dbe1f8b73f805b85dab7	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gossypetin 8-glucuronide 3-glucoside 10V, Negative-QTOF	splash10-0a6r-2502719000-017ff0c3d24021312515	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gossypetin 8-glucuronide 3-glucoside 20V, Negative-QTOF	splash10-01td-1522902000-6c795a10b9cbcfb85c94	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gossypetin 8-glucuronide 3-glucoside 40V, Negative-QTOF	splash10-05r1-5906400000-6af5e560e03958622a6b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gossypetin 8-glucuronide 3-glucoside 10V, Negative-QTOF	splash10-0a4i-0000009000-4eda184e0c0660d58769	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gossypetin 8-glucuronide 3-glucoside 20V, Negative-QTOF	splash10-0a4l-0000509000-a65831569b78bb75681e	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gossypetin 8-glucuronide 3-glucoside 40V, Negative-QTOF	splash10-0006-0000900000-ad8812b76b1c364bc401	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gossypetin 8-glucuronide 3-glucoside 10V, Positive-QTOF	splash10-0002-0000902000-6e3dbe98ed99d7034c54	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gossypetin 8-glucuronide 3-glucoside 20V, Positive-QTOF	splash10-0a4k-0000909000-045d061fe01302a48934	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gossypetin 8-glucuronide 3-glucoside 40V, Positive-QTOF	splash10-0002-0000900000-ff22609d243ce4b8b89c	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Blood
Urine

Tissue Locations

Kidney
Liver

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB018609

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14887602

PDB ID

Not Available

ChEBI ID

176260

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Gossypetin 8-glucuronide 3-glucoside (HMDB0039103)

MOL for HMDB0039103 (Gossypetin 8-glucuronide 3-glucoside)

3D MOL for HMDB0039103 (Gossypetin 8-glucuronide 3-glucoside)

3D SDF for HMDB0039103 (Gossypetin 8-glucuronide 3-glucoside)

3D-SDF for HMDB0039103 (Gossypetin 8-glucuronide 3-glucoside)

PDB for HMDB0039103 (Gossypetin 8-glucuronide 3-glucoside)

3D PDB for HMDB0039103 (Gossypetin 8-glucuronide 3-glucoside)

SMILES for HMDB0039103 (Gossypetin 8-glucuronide 3-glucoside)

INCHI for HMDB0039103 (Gossypetin 8-glucuronide 3-glucoside)

Structure for HMDB0039103 (Gossypetin 8-glucuronide 3-glucoside)

3D Structure for HMDB0039103 (Gossypetin 8-glucuronide 3-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra