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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (3) Show 3 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 22:39:17 UTC

Update Date

2022-03-07 02:55:19 UTC

HMDB ID

HMDB0037409

Secondary Accession Numbers

HMDB37409

Metabolite Identification

Common Name

3,8-Diglucosyldiosmetin

Description

3,8-Diglucosyldiosmetin belongs to the class of organic compounds known as flavonoid 8-c-glycosides. Flavonoid 8-C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. 3,8-Diglucosyldiosmetin is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, 3,8-Diglucosyldiosmetin has been detected, but not quantified in, citrus and sweet oranges. This could make 3,8-diglucosyldiosmetin a potential biomarker for the consumption of these foods.

Structure

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


  Mrv0541 05061309462D          

 44 48  0  0  0  0            999 V2000
    4.2868    3.3000    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
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    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
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    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
    2.8579    2.4750    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
    3.5724    2.0625    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
    3.5724   -0.4125    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
   -0.7145    1.2375    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    3.7125    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
    0.0000    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
    0.0000    2.4750    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    0.8250    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
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   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
    4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    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
   -0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -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    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    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
    1.4289   -1.6500    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    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    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  2  2  0  0  0  0
  8  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 12  9  2  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25  8  1  0  0  0  0
 25 17  2  0  0  0  0
 26 15  2  0  0  0  0
 26 16  1  0  0  0  0
 27 16  1  0  0  0  0
 27 23  1  0  0  0  0
 28 17  1  0  0  0  0
 28 24  1  0  0  0  0
 29  6  1  0  0  0  0
 30  7  1  0  0  0  0
 31  9  1  0  0  0  0
 32 10  1  0  0  0  0
 33 11  1  0  0  0  0
 34 18  1  0  0  0  0
 35 19  1  0  0  0  0
 36 20  2  0  0  0  0
 37 21  1  0  0  0  0
 38 22  1  0  0  0  0
 39 23  1  0  0  0  0
 40 24  1  0  0  0  0
 41  1  1  0  0  0  0
 41 12  1  0  0  0  0
 42 13  1  0  0  0  0
 42 27  1  0  0  0  0
 43 14  1  0  0  0  0
 43 28  1  0  0  0  0
 44 25  1  0  0  0  0
 44 26  1  0  0  0  0
M  END

HMDB0037409
     RDKit          3D
3,8-Diglucosyldiosmetin
 76 80  0  0  0  0  0  0  0  0999 V2000
   -4.2346    6.0324    0.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4282    5.0262    0.1905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6778    3.9807    0.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8767    3.0060    1.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1235    1.8659    1.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1050    1.6767    0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4904    0.3552    0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7975    0.1484    0.0698 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3172   -1.0276   -0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6970   -1.2688   -0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6394   -0.0888   -0.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1797   -0.0099   -1.3705 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3127    0.7242   -1.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1008    2.2340   -1.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3184    2.8979   -1.5933 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4758    0.3478   -0.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3685   -0.5385   -1.3269 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1093   -0.3577    0.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8547    0.2903    1.6481 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6738   -0.4076    0.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4452    0.4846    2.0936 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1840   -2.5037   -0.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4835   -2.7994   -0.6187 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2926   -3.5565   -0.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240   -3.3828   -0.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1075   -4.4287   -0.9270 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4623   -2.1134   -0.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8787   -1.8986   -0.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6604   -2.8338   -0.5961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4469   -0.6575   -0.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9106   -0.5901    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1785   -1.0981    1.3122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9771   -2.0953    1.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9640   -1.6300    2.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5932   -0.4566    2.2491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7436   -2.8817    0.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1090   -2.7977    0.7813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4154   -2.5280   -0.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7002   -2.3334   -1.4945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6731   -1.3002   -1.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6602   -0.2934   -1.4920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8437    2.6490   -0.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897    3.7891   -0.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4406    4.8082   -1.5988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7815    7.0625    0.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0527    6.0113   -0.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8524    6.0742    1.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7045    3.1336    1.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2963    1.1525    2.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0880    0.8258    0.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6840    0.5008   -2.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5710    2.5118   -2.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4209    2.5840   -0.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4388    3.2881   -0.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000    1.2455   -0.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7383   -1.2249   -0.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5247   -1.4209    0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2006   -0.4187    2.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4356   -1.3944    1.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2426    0.3545    2.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3913   -2.6759   -0.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -4.5410   -0.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8133   -4.6525   -0.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2646    0.4304    0.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3748   -2.8765    2.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8181   -2.3924    2.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4727   -1.4737    3.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0807    0.3282    2.5895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5218   -3.9839    0.6481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6029   -3.1803    0.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0407   -3.3959   -1.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5909   -1.9047   -2.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9923   -1.3237   -1.9107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4755   -0.4923   -0.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0254    2.5495   -1.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7668    4.8600   -2.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 10 22  1  0
 22 23  1  0
 22 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 33 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
  6 42  1  0
 42 43  2  0
 43 44  1  0
 43  3  1  0
 30  7  2  0
 40 31  1  0
 27  9  1  0
 20 11  1  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
  4 48  1  0
  5 49  1  0
 11 50  1  0
 13 51  1  0
 14 52  1  0
 14 53  1  0
 15 54  1  0
 16 55  1  0
 17 56  1  0
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 24 62  1  0
 26 63  1  0
 31 64  1  0
 33 65  1  0
 34 66  1  0
 34 67  1  0
 35 68  1  0
 36 69  1  0
 37 70  1  0
 38 71  1  0
 39 72  1  0
 40 73  1  0
 41 74  1  0
 42 75  1  0
 44 76  1  0
M  END


  Mrv0541 05061309462D          

 44 48  0  0  0  0            999 V2000
    4.2868    3.3000    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
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    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
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    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
    2.8579    2.4750    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
    3.5724    2.0625    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
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7145    1.2375    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    3.7125    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
    0.0000    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
    0.0000    2.4750    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    0.8250    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
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   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
    4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    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
   -0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -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    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    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
    1.4289   -1.6500    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    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    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  2  2  0  0  0  0
  8  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 12  9  2  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25  8  1  0  0  0  0
 25 17  2  0  0  0  0
 26 15  2  0  0  0  0
 26 16  1  0  0  0  0
 27 16  1  0  0  0  0
 27 23  1  0  0  0  0
 28 17  1  0  0  0  0
 28 24  1  0  0  0  0
 29  6  1  0  0  0  0
 30  7  1  0  0  0  0
 31  9  1  0  0  0  0
 32 10  1  0  0  0  0
 33 11  1  0  0  0  0
 34 18  1  0  0  0  0
 35 19  1  0  0  0  0
 36 20  2  0  0  0  0
 37 21  1  0  0  0  0
 38 22  1  0  0  0  0
 39 23  1  0  0  0  0
 40 24  1  0  0  0  0
 41  1  1  0  0  0  0
 41 12  1  0  0  0  0
 42 13  1  0  0  0  0
 42 27  1  0  0  0  0
 43 14  1  0  0  0  0
 43 28  1  0  0  0  0
 44 25  1  0  0  0  0
 44 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037409

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(O)C=C(C=C1)C1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1O)=C(O)C=C2O

> <INCHI_IDENTIFIER>
InChI=1S/C28H32O16/c1-41-12-3-2-8(4-9(12)31)25-17(28-24(40)22(38)19(35)14(7-30)43-28)20(36)15-10(32)5-11(33)16(26(15)44-25)27-23(39)21(37)18(34)13(6-29)42-27/h2-5,13-14,18-19,21-24,27-35,37-40H,6-7H2,1H3

> <INCHI_KEY>
OZSVEJJFZRCNON-UHFFFAOYSA-N

> <FORMULA>
C28H32O16

> <MOLECULAR_WEIGHT>
624.5441

> <EXACT_MASS>
624.169034976

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
59.00682614488706

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one

> <ALOGPS_LOGP>
-0.93

> <JCHEM_LOGP>
-3.0834948419999995

> <ALOGPS_LOGS>
-1.92

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.037465783852141

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.142154228897133

> <JCHEM_PKA_STRONGEST_BASIC>
-3.644731809042125

> <JCHEM_POLAR_SURFACE_AREA>
276.52

> <JCHEM_REFRACTIVITY>
144.9296

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.54e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037409
     RDKit          3D
3,8-Diglucosyldiosmetin
 76 80  0  0  0  0  0  0  0  0999 V2000
   -4.2346    6.0324    0.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4282    5.0262    0.1905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6778    3.9807    0.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8767    3.0060    1.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1235    1.8659    1.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1050    1.6767    0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4904    0.3552    0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7975    0.1484    0.0698 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3172   -1.0276   -0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6970   -1.2688   -0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6394   -0.0888   -0.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1797   -0.0099   -1.3705 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3127    0.7242   -1.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1008    2.2340   -1.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3184    2.8979   -1.5933 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4758    0.3478   -0.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3685   -0.5385   -1.3269 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1093   -0.3577    0.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8547    0.2903    1.6481 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6738   -0.4076    0.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4452    0.4846    2.0936 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1840   -2.5037   -0.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4835   -2.7994   -0.6187 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2926   -3.5565   -0.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240   -3.3828   -0.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1075   -4.4287   -0.9270 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4623   -2.1134   -0.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8787   -1.8986   -0.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6604   -2.8338   -0.5961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4469   -0.6575   -0.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9106   -0.5901    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1785   -1.0981    1.3122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9771   -2.0953    1.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9640   -1.6300    2.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5932   -0.4566    2.2491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7436   -2.8817    0.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1090   -2.7977    0.7813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4154   -2.5280   -0.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7002   -2.3334   -1.4945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6731   -1.3002   -1.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6602   -0.2934   -1.4920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8437    2.6490   -0.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897    3.7891   -0.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4406    4.8082   -1.5988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7815    7.0625    0.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0527    6.0113   -0.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8524    6.0742    1.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7045    3.1336    1.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2963    1.1525    2.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0880    0.8258    0.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6840    0.5008   -2.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5710    2.5118   -2.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4209    2.5840   -0.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4388    3.2881   -0.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000    1.2455   -0.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7383   -1.2249   -0.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5247   -1.4209    0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2006   -0.4187    2.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4356   -1.3944    1.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2426    0.3545    2.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3913   -2.6759   -0.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -4.5410   -0.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8133   -4.6525   -0.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2646    0.4304    0.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3748   -2.8765    2.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8181   -2.3924    2.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4727   -1.4737    3.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0807    0.3282    2.5895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5218   -3.9839    0.6481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6029   -3.1803    0.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0407   -3.3959   -1.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5909   -1.9047   -2.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9923   -1.3237   -1.9107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4755   -0.4923   -0.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0254    2.5495   -1.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7668    4.8600   -2.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
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  9 10  2  0
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 18 20  1  0
 20 21  1  0
 10 22  1  0
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 22 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 28 29  2  0
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 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 33 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
  6 42  1  0
 42 43  2  0
 43 44  1  0
 43  3  1  0
 30  7  2  0
 40 31  1  0
 27  9  1  0
 20 11  1  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
  4 48  1  0
  5 49  1  0
 11 50  1  0
 13 51  1  0
 14 52  1  0
 14 53  1  0
 15 54  1  0
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 17 56  1  0
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 24 62  1  0
 26 63  1  0
 31 64  1  0
 33 65  1  0
 34 66  1  0
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 35 68  1  0
 36 69  1  0
 37 70  1  0
 38 71  1  0
 39 72  1  0
 40 73  1  0
 41 74  1  0
 42 75  1  0
 44 76  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       8.002   6.160   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -4.001   8.470   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       5.335   6.160   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -1.334   8.470   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       1.334   6.930   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       2.667  -3.080   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   4.620   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       1.334   2.310   0.000  0.00  0.00           O+0
CONECT    1   41                                                            
CONECT    2    3    8                                                       
CONECT    3    2   12                                                       
CONECT    4    8    9                                                       
CONECT    5   10   11                                                       
CONECT    6   13   29                                                       
CONECT    7   14   30                                                       
CONECT    8    2    4   25                                                  
CONECT    9    4   12   31                                                  
CONECT   10    5   15   32                                                  
CONECT   11    5   16   33                                                  
CONECT   12    3    9   41                                                  
CONECT   13    6   18   42                                                  
CONECT   14    7   19   43                                                  
CONECT   15   10   20   26                                                  
CONECT   16   11   26   27                                                  
CONECT   17   20   25   28                                                  
CONECT   18   13   21   34                                                  
CONECT   19   14   22   35                                                  
CONECT   20   15   17   36                                                  
CONECT   21   18   23   37                                                  
CONECT   22   19   24   38                                                  
CONECT   23   21   27   39                                                  
CONECT   24   22   28   40                                                  
CONECT   25    8   17   44                                                  
CONECT   26   15   16   44                                                  
CONECT   27   16   23   42                                                  
CONECT   28   17   24   43                                                  
CONECT   29    6                                                            
CONECT   30    7                                                            
CONECT   31    9                                                            
CONECT   32   10                                                            
CONECT   33   11                                                            
CONECT   34   18                                                            
CONECT   35   19                                                            
CONECT   36   20                                                            
CONECT   37   21                                                            
CONECT   38   22                                                            
CONECT   39   23                                                            
CONECT   40   24                                                            
CONECT   41    1   12                                                       
CONECT   42   13   27                                                       
CONECT   43   14   28                                                       
CONECT   44   25   26                                                       
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

COMPND    HMDB0037409
HETATM    1  C1  UNL     1      -4.235   6.032   0.221  1.00  0.00           C  
HETATM    2  O1  UNL     1      -3.428   5.026   0.191  1.00  0.00           O  
HETATM    3  C2  UNL     1      -2.678   3.981   0.246  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.877   3.006   1.177  1.00  0.00           C  
HETATM    5  C4  UNL     1      -2.124   1.866   1.261  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.105   1.677   0.354  1.00  0.00           C  
HETATM    7  C6  UNL     1      -0.490   0.355   0.104  1.00  0.00           C  
HETATM    8  O2  UNL     1       0.797   0.148   0.070  1.00  0.00           O  
HETATM    9  C7  UNL     1       1.317  -1.028  -0.189  1.00  0.00           C  
HETATM   10  C8  UNL     1       2.697  -1.269  -0.232  1.00  0.00           C  
HETATM   11  C9  UNL     1       3.639  -0.089  -0.068  1.00  0.00           C  
HETATM   12  O3  UNL     1       4.180  -0.010  -1.371  1.00  0.00           O  
HETATM   13  C10 UNL     1       5.313   0.724  -1.501  1.00  0.00           C  
HETATM   14  C11 UNL     1       5.101   2.234  -1.539  1.00  0.00           C  
HETATM   15  O4  UNL     1       6.318   2.898  -1.593  1.00  0.00           O  
HETATM   16  C12 UNL     1       6.476   0.348  -0.642  1.00  0.00           C  
HETATM   17  O5  UNL     1       7.368  -0.539  -1.327  1.00  0.00           O  
HETATM   18  C13 UNL     1       6.109  -0.358   0.613  1.00  0.00           C  
HETATM   19  O6  UNL     1       6.855   0.290   1.648  1.00  0.00           O  
HETATM   20  C14 UNL     1       4.674  -0.408   0.931  1.00  0.00           C  
HETATM   21  O7  UNL     1       4.445   0.485   2.094  1.00  0.00           O  
HETATM   22  C15 UNL     1       3.184  -2.504  -0.508  1.00  0.00           C  
HETATM   23  O8  UNL     1       4.484  -2.799  -0.619  1.00  0.00           O  
HETATM   24  C16 UNL     1       2.293  -3.556  -0.733  1.00  0.00           C  
HETATM   25  C17 UNL     1       0.924  -3.383  -0.703  1.00  0.00           C  
HETATM   26  O9  UNL     1       0.107  -4.429  -0.927  1.00  0.00           O  
HETATM   27  C18 UNL     1       0.462  -2.113  -0.436  1.00  0.00           C  
HETATM   28  C19 UNL     1      -0.879  -1.899  -0.396  1.00  0.00           C  
HETATM   29  O10 UNL     1      -1.660  -2.834  -0.596  1.00  0.00           O  
HETATM   30  C20 UNL     1      -1.447  -0.658  -0.126  1.00  0.00           C  
HETATM   31  C21 UNL     1      -2.911  -0.590   0.058  1.00  0.00           C  
HETATM   32  O11 UNL     1      -3.178  -1.098   1.312  1.00  0.00           O  
HETATM   33  C22 UNL     1      -3.977  -2.095   1.582  1.00  0.00           C  
HETATM   34  C23 UNL     1      -4.964  -1.630   2.671  1.00  0.00           C  
HETATM   35  O12 UNL     1      -5.593  -0.457   2.249  1.00  0.00           O  
HETATM   36  C24 UNL     1      -4.744  -2.882   0.591  1.00  0.00           C  
HETATM   37  O13 UNL     1      -6.109  -2.798   0.781  1.00  0.00           O  
HETATM   38  C25 UNL     1      -4.415  -2.528  -0.843  1.00  0.00           C  
HETATM   39  O14 UNL     1      -5.700  -2.333  -1.495  1.00  0.00           O  
HETATM   40  C26 UNL     1      -3.673  -1.300  -1.025  1.00  0.00           C  
HETATM   41  O15 UNL     1      -4.660  -0.293  -1.492  1.00  0.00           O  
HETATM   42  C27 UNL     1      -0.844   2.649  -0.614  1.00  0.00           C  
HETATM   43  C28 UNL     1      -1.590   3.789  -0.703  1.00  0.00           C  
HETATM   44  O16 UNL     1      -1.441   4.808  -1.599  1.00  0.00           O  
HETATM   45  H1  UNL     1      -3.782   7.063   0.082  1.00  0.00           H  
HETATM   46  H2  UNL     1      -5.053   6.011  -0.608  1.00  0.00           H  
HETATM   47  H3  UNL     1      -4.852   6.074   1.178  1.00  0.00           H  
HETATM   48  H4  UNL     1      -3.704   3.134   1.891  1.00  0.00           H  
HETATM   49  H5  UNL     1      -2.296   1.153   2.049  1.00  0.00           H  
HETATM   50  H6  UNL     1       3.088   0.826   0.165  1.00  0.00           H  
HETATM   51  H7  UNL     1       5.684   0.501  -2.565  1.00  0.00           H  
HETATM   52  H8  UNL     1       4.571   2.512  -2.486  1.00  0.00           H  
HETATM   53  H9  UNL     1       4.421   2.584  -0.709  1.00  0.00           H  
HETATM   54  H10 UNL     1       6.439   3.288  -0.661  1.00  0.00           H  
HETATM   55  H11 UNL     1       7.100   1.245  -0.454  1.00  0.00           H  
HETATM   56  H12 UNL     1       7.738  -1.225  -0.707  1.00  0.00           H  
HETATM   57  H13 UNL     1       6.525  -1.421   0.675  1.00  0.00           H  
HETATM   58  H14 UNL     1       7.201  -0.419   2.237  1.00  0.00           H  
HETATM   59  H15 UNL     1       4.436  -1.394   1.433  1.00  0.00           H  
HETATM   60  H16 UNL     1       5.243   0.354   2.632  1.00  0.00           H  
HETATM   61  H17 UNL     1       5.391  -2.676  -0.646  1.00  0.00           H  
HETATM   62  H18 UNL     1       2.669  -4.541  -0.934  1.00  0.00           H  
HETATM   63  H19 UNL     1      -0.813  -4.652  -0.973  1.00  0.00           H  
HETATM   64  H20 UNL     1      -3.265   0.430   0.030  1.00  0.00           H  
HETATM   65  H21 UNL     1      -3.375  -2.876   2.178  1.00  0.00           H  
HETATM   66  H22 UNL     1      -5.818  -2.392   2.715  1.00  0.00           H  
HETATM   67  H23 UNL     1      -4.473  -1.474   3.628  1.00  0.00           H  
HETATM   68  H24 UNL     1      -5.081   0.328   2.590  1.00  0.00           H  
HETATM   69  H25 UNL     1      -4.522  -3.984   0.648  1.00  0.00           H  
HETATM   70  H26 UNL     1      -6.603  -3.180   0.006  1.00  0.00           H  
HETATM   71  H27 UNL     1      -4.041  -3.396  -1.428  1.00  0.00           H  
HETATM   72  H28 UNL     1      -5.591  -1.905  -2.352  1.00  0.00           H  
HETATM   73  H29 UNL     1      -2.992  -1.324  -1.911  1.00  0.00           H  
HETATM   74  H30 UNL     1      -5.475  -0.492  -0.923  1.00  0.00           H  
HETATM   75  H31 UNL     1      -0.025   2.549  -1.340  1.00  0.00           H  
HETATM   76  H32 UNL     1      -0.767   4.860  -2.316  1.00  0.00           H  
CONECT    1    2   45   46   47
CONECT    2    3
CONECT    3    4    4   43
CONECT    4    5   48
CONECT    5    6    6   49
CONECT    6    7   42
CONECT    7    8   30   30
CONECT    8    9
CONECT    9   10   10   27
CONECT   10   11   22
CONECT   11   12   20   50
CONECT   12   13
CONECT   13   14   16   51
CONECT   14   15   52   53
CONECT   15   54
CONECT   16   17   18   55
CONECT   17   56
CONECT   18   19   20   57
CONECT   19   58
CONECT   20   21   59
CONECT   21   60
CONECT   22   23   24   24
CONECT   23   61
CONECT   24   25   62
CONECT   25   26   27   27
CONECT   26   63
CONECT   27   28
CONECT   28   29   29   30
CONECT   30   31
CONECT   31   32   40   64
CONECT   32   33
CONECT   33   34   36   65
CONECT   34   35   66   67
CONECT   35   68
CONECT   36   37   38   69
CONECT   37   70
CONECT   38   39   40   71
CONECT   39   72
CONECT   40   41   73
CONECT   41   74
CONECT   42   43   43   75
CONECT   43   44
CONECT   44   76
END

HMDB0037409
     RDKit          3D
3,8-Diglucosyldiosmetin
 76 80  0  0  0  0  0  0  0  0999 V2000
   -4.2346    6.0324    0.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4282    5.0262    0.1905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6778    3.9807    0.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8767    3.0060    1.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1235    1.8659    1.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1050    1.6767    0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4904    0.3552    0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7975    0.1484    0.0698 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3172   -1.0276   -0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6970   -1.2688   -0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6394   -0.0888   -0.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1797   -0.0099   -1.3705 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3127    0.7242   -1.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1008    2.2340   -1.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3184    2.8979   -1.5933 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4758    0.3478   -0.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3685   -0.5385   -1.3269 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1093   -0.3577    0.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8547    0.2903    1.6481 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6738   -0.4076    0.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4452    0.4846    2.0936 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1840   -2.5037   -0.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4835   -2.7994   -0.6187 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2926   -3.5565   -0.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240   -3.3828   -0.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1075   -4.4287   -0.9270 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4623   -2.1134   -0.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8787   -1.8986   -0.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6604   -2.8338   -0.5961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4469   -0.6575   -0.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9106   -0.5901    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1785   -1.0981    1.3122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9771   -2.0953    1.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9640   -1.6300    2.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5932   -0.4566    2.2491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7436   -2.8817    0.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1090   -2.7977    0.7813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4154   -2.5280   -0.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7002   -2.3334   -1.4945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6731   -1.3002   -1.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6602   -0.2934   -1.4920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8437    2.6490   -0.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897    3.7891   -0.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4406    4.8082   -1.5988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7815    7.0625    0.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0527    6.0113   -0.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8524    6.0742    1.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7045    3.1336    1.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2963    1.1525    2.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0880    0.8258    0.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6840    0.5008   -2.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5710    2.5118   -2.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4209    2.5840   -0.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4388    3.2881   -0.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000    1.2455   -0.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7383   -1.2249   -0.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5247   -1.4209    0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2006   -0.4187    2.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4356   -1.3944    1.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2426    0.3545    2.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3913   -2.6759   -0.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -4.5410   -0.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8133   -4.6525   -0.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2646    0.4304    0.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3748   -2.8765    2.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8181   -2.3924    2.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4727   -1.4737    3.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0807    0.3282    2.5895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5218   -3.9839    0.6481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6029   -3.1803    0.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0407   -3.3959   -1.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5909   -1.9047   -2.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9923   -1.3237   -1.9107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4755   -0.4923   -0.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0254    2.5495   -1.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7668    4.8600   -2.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 10 22  1  0
 22 23  1  0
 22 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 33 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
  6 42  1  0
 42 43  2  0
 43 44  1  0
 43  3  1  0
 30  7  2  0
 40 31  1  0
 27  9  1  0
 20 11  1  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
  4 48  1  0
  5 49  1  0
 11 50  1  0
 13 51  1  0
 14 52  1  0
 14 53  1  0
 15 54  1  0
 16 55  1  0
 17 56  1  0
 18 57  1  0
 19 58  1  0
 20 59  1  0
 21 60  1  0
 23 61  1  0
 24 62  1  0
 26 63  1  0
 31 64  1  0
 33 65  1  0
 34 66  1  0
 34 67  1  0
 35 68  1  0
 36 69  1  0
 37 70  1  0
 38 71  1  0
 39 72  1  0
 40 73  1  0
 41 74  1  0
 42 75  1  0
 44 76  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
3,8-Di-C-glucopyranosyldiosmetin	HMDB
3,8-Diglucopyranosyl-3',5,7-trihydroxy-4'-methoxyflavone	HMDB
3,8-Diglucopyranosyldiosmetin	HMDB

Chemical Formula

C₂₈H₃₂O₁₆

Average Molecular Weight

624.5441

Monoisotopic Molecular Weight

624.169034976

IUPAC Name

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one

Traditional Name

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

CAS Registry Number

97218-32-1

SMILES

COC1=C(O)C=C(C=C1)C1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1O)=C(O)C=C2O

InChI Identifier

InChI=1S/C28H32O16/c1-41-12-3-2-8(4-9(12)31)25-17(28-24(40)22(38)19(35)14(7-30)43-28)20(36)15-10(32)5-11(33)16(26(15)44-25)27-23(39)21(37)18(34)13(6-29)42-27/h2-5,13-14,18-19,21-24,27-35,37-40H,6-7H2,1H3

InChI Key

OZSVEJJFZRCNON-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid 8-c-glycosides. Flavonoid 8-C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid 8-C-glycosides

Alternative Parents

Substituents

Flavonoid-8-c-glycoside
4p-methoxyflavonoid-skeleton
3'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Flavone
Hydroxyflavonoid
Phenolic glycoside
Hexose monosaccharide
C-glycosyl compound
Chromone
Glycosyl compound
Benzopyran
Methoxyphenol
1-benzopyran
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Pyranone
Phenol
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Pyran
Oxane
Monocyclic benzene moiety
Benzenoid
Monosaccharide
Heteroaromatic compound
Vinylogous acid
Secondary alcohol
Oxacycle
Ether
Dialkyl ether
Polyol
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen compound
Primary alcohol
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0037409)
Cytoplasm (HMDB: HMDB0037409)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037409)

Source

Exogenous

Exogenous (HMDB: HMDB0037409)

Food

Food (HMDB: HMDB0037409)

Fruit

Citrus

Sweet orange (FooDB: FOOD00057)
Citrus (FooDB: FOOD00859)

Endogenous

Plant

Plant (HMDB: HMDB0037409)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0037409)

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	7.54 g/L	ALOGPS
logP	-0.93	ALOGPS
logP	-3.1	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	6.14	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	276.52 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	144.93 m³·mol⁻¹	ChemAxon
Polarizability	59.01 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]+	238.539	31661259
DarkChem	[M-H]-	230.022	31661259
DeepCCS	[M+H]+	233.779	30932474
DeepCCS	[M-H]-	231.554	30932474
DeepCCS	[M-2H]-	264.796	30932474
DeepCCS	[M+Na]+	239.519	30932474
AllCCS	[M+H]+	239.2	32859911
AllCCS	[M+H-H2O]+	237.8	32859911
AllCCS	[M+NH4]+	240.4	32859911
AllCCS	[M+Na]+	240.7	32859911
AllCCS	[M-H]-	242.6	32859911
AllCCS	[M+Na-2H]-	245.3	32859911
AllCCS	[M+HCOO]-	248.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
3,8-Diglucosyldiosmetin	COC1=C(O)C=C(C=C1)C1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1O)=C(O)C=C2O	5477.8	Standard polar	33892256
3,8-Diglucosyldiosmetin	COC1=C(O)C=C(C=C1)C1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1O)=C(O)C=C2O	4923.4	Standard non polar	33892256
3,8-Diglucosyldiosmetin	COC1=C(O)C=C(C=C1)C1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1O)=C(O)C=C2O	5779.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
3,8-Diglucosyldiosmetin,1TMS,isomer #1	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5729.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,1TMS,isomer #10	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5759.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,1TMS,isomer #11	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5783.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,1TMS,isomer #2	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5701.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,1TMS,isomer #3	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5751.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,1TMS,isomer #4	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5753.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,1TMS,isomer #5	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5739.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,1TMS,isomer #6	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5702.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,1TMS,isomer #7	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5748.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,1TMS,isomer #8	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5750.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,1TMS,isomer #9	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5736.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #1	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5586.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #10	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5602.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #11	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5572.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #12	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5570.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #13	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5560.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #14	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5571.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #15	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5594.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #16	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5633.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #17	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5593.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #18	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5580.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #19	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5585.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #2	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5605.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #20	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5575.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #21	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5596.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #22	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5578.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #23	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5595.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #24	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5614.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #25	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5656.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #26	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5617.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #27	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5600.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #28	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5563.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #29	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5578.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #3	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	5591.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #30	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5566.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #31	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5578.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #32	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5601.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #33	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5642.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #34	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5613.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #35	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5575.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #36	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5596.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #37	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5581.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #38	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5593.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #39	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5614.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #4	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	5601.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #40	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5653.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #41	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5592.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #42	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5580.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #43	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5583.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #44	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5598.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #45	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5632.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #46	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5616.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #47	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5595.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #48	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5616.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #49	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5652.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #5	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5631.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #50	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	5609.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #51	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5599.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #52	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5639.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #53	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5616.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #54	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5649.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #55	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5665.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #6	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5662.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #7	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5585.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #8	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5605.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TMS,isomer #9	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5591.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #1	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5439.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #10	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	5475.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #100	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5437.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #101	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5462.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #102	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5447.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #103	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5430.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #104	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5481.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #105	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5455.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #106	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5442.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #107	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5486.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #108	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5472.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #109	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5485.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #11	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	5460.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #110	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5395.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #111	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5379.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #112	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5390.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #113	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5381.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #114	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5408.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #115	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5405.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #116	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5429.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #117	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5405.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #118	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5414.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #119	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5435.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #12	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5479.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #120	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5444.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #121	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	5424.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #122	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5386.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #123	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5412.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #124	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5425.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #125	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5411.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #126	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5439.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #127	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5443.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #128	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5444.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #129	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5448.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #13	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5502.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #130	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5477.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #131	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5410.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #132	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5394.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #133	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5407.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #134	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5403.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #135	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5431.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #136	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5445.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #137	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5424.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #138	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5441.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #139	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5461.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #14	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5423.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #140	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	5442.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #141	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5415.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #142	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5441.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #143	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5436.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #144	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5463.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #145	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5484.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #146	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5414.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #147	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5411.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #148	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5424.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #149	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5451.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #15	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5457.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #150	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	5401.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #151	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5400.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #152	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5432.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #153	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5416.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #154	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5445.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #155	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5449.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #156	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	5478.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #157	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5451.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #158	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5482.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #159	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5436.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #16	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5437.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #160	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5463.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #161	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5480.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #162	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	5445.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #163	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	5472.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #164	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5440.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #165	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5480.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #17	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5459.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #18	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	5468.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #19	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	5453.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #2	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	5419.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #20	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	5481.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #21	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	5401.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #22	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	5438.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #23	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	5416.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #24	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	5439.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #25	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	5474.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #26	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	5503.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #27	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	5421.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #28	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	5460.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #29	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	5439.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #3	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	5437.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #30	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	5461.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #31	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5524.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #32	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5441.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #33	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5477.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #34	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5455.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #35	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5475.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #36	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5472.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #37	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5505.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #38	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5481.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #39	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5504.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #4	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5442.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #40	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5442.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #41	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5423.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #42	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5442.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #43	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5481.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #44	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5465.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #45	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5473.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #46	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5384.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #47	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5365.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #48	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5376.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #49	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5386.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #5	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5470.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #50	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5420.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #51	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5387.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #52	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5368.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #53	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5382.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #54	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5409.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #55	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5387.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #56	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5408.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #57	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5433.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #58	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5412.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #59	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5399.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #6	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5390.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #60	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5412.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #61	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	5401.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #62	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5378.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #63	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5408.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #64	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5394.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #65	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5382.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #66	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5393.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #67	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5399.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #68	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5429.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #69	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5411.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #7	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5424.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #70	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5396.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #71	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5410.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #72	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5449.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #73	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5421.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #74	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5403.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #75	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5420.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #76	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5455.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #77	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5435.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #78	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5451.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #79	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5421.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #8	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5402.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #80	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5422.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #81	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5411.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #82	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5412.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #83	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5398.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #84	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5409.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #85	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5409.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #86	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5435.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #87	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5413.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #88	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5395.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #89	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5447.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #9	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5422.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #90	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5423.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #91	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5440.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #92	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5459.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #93	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5449.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #94	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5427.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #95	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	5444.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #96	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5411.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #97	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5435.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #98	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5430.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,3TMS,isomer #99	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5410.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,1TBDMS,isomer #1	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5909.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,1TBDMS,isomer #10	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5940.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,1TBDMS,isomer #11	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5968.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,1TBDMS,isomer #2	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5904.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,1TBDMS,isomer #3	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5979.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,1TBDMS,isomer #4	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5987.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,1TBDMS,isomer #5	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5971.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,1TBDMS,isomer #6	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5904.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,1TBDMS,isomer #7	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	5978.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,1TBDMS,isomer #8	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	5986.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,1TBDMS,isomer #9	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	5973.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #1	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5943.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #10	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5968.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #11	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5928.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #12	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	5939.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #13	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	5942.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #14	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	5946.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #15	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5960.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #16	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6000.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #17	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5958.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #18	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5973.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #19	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5969.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #2	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5962.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #20	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5941.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #21	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	5955.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #22	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	5959.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #23	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	5974.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #24	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5982.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #25	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6022.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #26	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5983.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #27	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5990.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #28	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5945.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #29	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	5959.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #3	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5968.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #30	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	5973.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #31	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	5979.6	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #32	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5994.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #33	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6033.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #34	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5991.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #35	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5948.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #36	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	5974.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #37	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	5979.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #38	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	5988.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #39	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5997.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #4	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5970.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #40	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6038.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #41	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	5956.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #42	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	5974.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #43	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	5968.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #44	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5963.7	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #45	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	6000.9	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #46	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	5982.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #47	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	5985.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #48	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	5984.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #49	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	6021.3	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #5	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5989.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #50	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	5989.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #51	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	5991.0	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #52	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	6031.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #53	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	5997.2	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #54	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	6036.5	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #55	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6032.1	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #6	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	6025.4	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #7	COC1=CC=C(C2=C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5943.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #8	COC1=CC=C(C2=C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5962.8	Semi standard non polar	33892256
3,8-Diglucosyldiosmetin,2TBDMS,isomer #9	COC1=CC=C(C2=C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5968.8	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 - 3,8-Diglucosyldiosmetin GC-MS (Non-derivatized) - 70eV, Positive	splash10-06sl-1000191000-29af48a161274b058de3	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_1_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3,8-Diglucosyldiosmetin GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	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 - 3,8-Diglucosyldiosmetin 10V, Positive-QTOF	splash10-056r-0000129000-1e511bfe0c0cd1b05da5	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3,8-Diglucosyldiosmetin 20V, Positive-QTOF	splash10-0a4r-2300498000-020de5a95523ed5321b3	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3,8-Diglucosyldiosmetin 40V, Positive-QTOF	splash10-0ap0-1003930000-2c4108daab6aeb2cdd58	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3,8-Diglucosyldiosmetin 10V, Negative-QTOF	splash10-00di-0000249000-054908f9b5a6a4ba87cd	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3,8-Diglucosyldiosmetin 20V, Negative-QTOF	splash10-0kn9-3000393000-600254964cccd9b27ca9	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3,8-Diglucosyldiosmetin 40V, Negative-QTOF	splash10-00lr-4103390000-494ddec8d63fd5fcd1e7	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3,8-Diglucosyldiosmetin 10V, Negative-QTOF	splash10-00di-0000009000-6e37f976b9b174b76115	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3,8-Diglucosyldiosmetin 20V, Negative-QTOF	splash10-00di-0000009000-6e37f976b9b174b76115	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3,8-Diglucosyldiosmetin 40V, Negative-QTOF	splash10-0w29-0019001000-1733530a9bf0bfd54ba9	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3,8-Diglucosyldiosmetin 10V, Positive-QTOF	splash10-004i-0000009000-2d7dfb6c8050c5654c90	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3,8-Diglucosyldiosmetin 20V, Positive-QTOF	splash10-004i-0000009000-2d7dfb6c8050c5654c90	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3,8-Diglucosyldiosmetin 40V, Positive-QTOF	splash10-016r-0019004000-c6555f429dc532c754df	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

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

FDB016454

KNApSAcK ID

C00006287

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

74977721

PDB ID

Not Available

ChEBI ID

Not Available

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.. .

Enzymes

Enzyme Details

1. Sulfotransferase family cytosolic 2B member 1

General function:: Involved in sulfotransferase activity
Specific function:: Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfate conjugation of many hormones, neurotransmitters, drugs and xenobiotic compounds. Sulfonation increases the water solubility of most compounds, and therefore their renal excretion, but it can also result in bioactivation to form active metabolites. Sulfates hydroxysteroids like DHEA. Isoform 1 preferentially sulfonates cholesterol, and isoform 2 avidly sulfonates pregnenolone but not cholesterol.
Gene Name:: SULT2B1
Uniprot ID:: O00204
Molecular weight:: 39598.595

Reactions

3,8-Diglucosyldiosmetin → ({6-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid	details
3,8-Diglucosyldiosmetin → ({6-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-3-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid	details
3,8-Diglucosyldiosmetin → {2-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid	details
3,8-Diglucosyldiosmetin → {2-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-8-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxidanesulfonic acid	details
3,8-Diglucosyldiosmetin → {6-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-8-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid	details
3,8-Diglucosyldiosmetin → {2-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-3-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid	details
3,8-Diglucosyldiosmetin → {2-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-3-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxidanesulfonic acid	details
3,8-Diglucosyldiosmetin → {6-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-3-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid	details

Enzyme Details

2. UDP-glucuronosyltransferase 1-1

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:: UGT1A1
Uniprot ID:: P22309
Molecular weight:: 59590.91

Reactions

3,8-Diglucosyldiosmetin → 3,4,5-trihydroxy-6-{[7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl]oxy}oxane-2-carboxylic acid	details
3,8-Diglucosyldiosmetin → 3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid	details
3,8-Diglucosyldiosmetin → 6-(5-{5,7-dihydroxy-4-oxo-3,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	details

Enzyme Details

3. Sulfotransferase 1A3

General function:: sulfotransferase activity
Specific function:: Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfate conjugation of phenolic monoamines (neurotransmitters such as dopamine, norepinephrine and serotonin) and phenolic and catechol drugs.
Gene Name:: SULT1A3
Uniprot ID:: P0DMM9
Molecular weight:: 34195.96

Reactions

3,8-Diglucosyldiosmetin → (5-{5,7-dihydroxy-4-oxo-3,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}-2-methoxyphenyl)oxidanesulfonic acid	details

Showing metabocard for 3,8-Diglucosyldiosmetin (HMDB0037409)

MOL for HMDB0037409 (3,8-Diglucosyldiosmetin)

3D MOL for HMDB0037409 (3,8-Diglucosyldiosmetin)

3D SDF for HMDB0037409 (3,8-Diglucosyldiosmetin)

3D-SDF for HMDB0037409 (3,8-Diglucosyldiosmetin)

PDB for HMDB0037409 (3,8-Diglucosyldiosmetin)

3D PDB for HMDB0037409 (3,8-Diglucosyldiosmetin)

SMILES for HMDB0037409 (3,8-Diglucosyldiosmetin)

INCHI for HMDB0037409 (3,8-Diglucosyldiosmetin)

Structure for HMDB0037409 (3,8-Diglucosyldiosmetin)

3D Structure for HMDB0037409 (3,8-Diglucosyldiosmetin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

Reactions

Reactions