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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:15:37 UTC

Update Date

2022-03-07 02:55:35 UTC

HMDB ID

HMDB0037986

Secondary Accession Numbers

HMDB37986

Metabolite Identification

Common Name

Cyanidin 3,3'-diglucoside

Description

Cyanidin 3,3'-diglucoside belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Cyanidin 3,3'-diglucoside is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, cyanidin 3,3'-diglucoside has been detected, but not quantified in, fruits. This could make cyanidin 3,3'-diglucoside a potential biomarker for the consumption of these foods.

Structure

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


  Mrv0541 05061310082D          

 43 47  0  0  0  0            999 V2000
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    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
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    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   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    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
    7.8592   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    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
    7.8592   -1.2375    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
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -1.2375    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
    7.8592   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  9  1  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  2  0  0  0  0
 12  2  1  0  0  0  0
 13  4  2  0  0  0  0
 13 11  1  0  0  0  0
 14  5  1  0  0  0  0
 14 11  1  0  0  0  0
 15  3  1  0  0  0  0
 15 12  2  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25  9  1  0  0  0  0
 25 16  2  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
 28  7  1  0  0  0  0
 29  8  1  0  0  0  0
 30 10  1  0  0  0  0
 31 12  1  0  0  0  0
 32 13  1  0  0  0  0
 33 19  1  0  0  0  0
 34 20  1  0  0  0  0
 35 21  1  0  0  0  0
 36 22  1  0  0  0  0
 37 23  1  0  0  0  0
 38 24  1  0  0  0  0
 39 14  2  0  0  0  0
 39 25  1  0  0  0  0
 40 15  1  0  0  0  0
 40 26  1  0  0  0  0
 41 16  1  0  0  0  0
 41 27  1  0  0  0  0
 42 17  1  0  0  0  0
 42 26  1  0  0  0  0
 43 18  1  0  0  0  0
 43 27  1  0  0  0  0
M  CHG  1  39   1
M  END

HMDB0037986
     RDKit          3D
Cyanidin 3,3'-diglucoside
 74 78  0  0  0  0  0  0  0  0999 V2000
    8.9898    0.8681    1.3438 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7964    1.2836    0.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9714    0.1362    0.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8067    0.7205   -0.2623 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508   -0.3408   -0.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6868   -0.0853   -0.6669 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4367    0.2537   -0.7764 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3963   -0.2498    0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0810    0.1206   -0.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9456   -0.4216    0.8038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5071   -1.2720    1.7082 O   0  0  0  0  0  3  0  0  0  0  0  0
   -1.2175   -1.8656    2.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6974   -2.7498    3.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4445   -3.3881    4.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8439   -4.2844    5.3829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7854   -3.1112    4.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3560   -2.2122    3.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7027   -1.9674    3.6757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5859   -1.5695    2.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1082   -0.6945    1.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2813   -0.0884    0.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7935    0.7528   -0.1344 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9605    1.4101   -0.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1232    0.5483   -0.1151 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1610    1.5062    0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2302    1.0916    0.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1809    2.1019    1.0617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6484    1.8302   -1.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8342    1.1926   -1.6737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5278    1.3328   -2.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5015   -0.0502   -2.1807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2390    1.9715   -1.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2594    1.9330   -2.6554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2189    1.0336   -1.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7432    1.6062   -1.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0418    1.1975   -1.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0027    1.7564   -2.5758 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -0.8258   -1.9952 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7311   -1.7567   -2.6302 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8794   -1.4672   -1.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7016   -2.7270   -1.1068 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7403   -0.5648   -0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7289   -1.3562   -0.2145 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2514    1.5085    2.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0657    1.9734   -0.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2205    1.9089    1.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7126   -0.5415    1.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1887   -1.2282    0.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6718   -0.9839    0.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3619   -2.9588    3.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8018   -5.2808    5.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4001   -3.5998    5.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1758   -1.3495    3.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1563   -0.4659    1.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1255    2.1391    0.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7312    2.4896    0.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8339    0.9135    1.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7746    0.1802    0.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8490    2.9850    0.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7360    2.9429   -1.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4575    1.7409   -2.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6598    1.7267   -3.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3774   -0.4122   -1.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5230    3.0647   -1.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0417    2.8116   -3.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2078    1.4096   -1.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4283    2.3215   -2.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9627    1.5210   -2.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7335    0.0621   -2.6203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8411   -1.4032   -2.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -1.6419   -2.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1424   -2.8151   -0.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2589    0.1889   -1.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5100   -0.8064   -0.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 25 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
  9 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
  5 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 42  3  1  0
 36  7  1  0
 21 10  1  0
 32 23  1  0
 19 12  1  0
  1 44  1  0
  2 45  1  0
  2 46  1  0
  3 47  1  0
  5 48  1  0
  8 49  1  0
 13 50  1  0
 15 51  1  0
 16 52  1  0
 18 53  1  0
 20 54  1  0
 23 55  1  0
 25 56  1  0
 26 57  1  0
 26 58  1  0
 27 59  1  0
 28 60  1  0
 29 61  1  0
 30 62  1  0
 31 63  1  0
 32 64  1  0
 33 65  1  0
 34 66  1  0
 35 67  1  0
 37 68  1  0
 38 69  1  0
 39 70  1  0
 40 71  1  0
 41 72  1  0
 42 73  1  0
 43 74  1  0
M  CHG  1  11   1
M  END


  Mrv0541 05061310082D          

 43 47  0  0  0  0            999 V2000
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    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
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    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   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    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
    7.8592   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    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
    7.8592   -1.2375    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
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -1.2375    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
    7.8592   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  9  1  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  2  0  0  0  0
 12  2  1  0  0  0  0
 13  4  2  0  0  0  0
 13 11  1  0  0  0  0
 14  5  1  0  0  0  0
 14 11  1  0  0  0  0
 15  3  1  0  0  0  0
 15 12  2  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25  9  1  0  0  0  0
 25 16  2  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
 28  7  1  0  0  0  0
 29  8  1  0  0  0  0
 30 10  1  0  0  0  0
 31 12  1  0  0  0  0
 32 13  1  0  0  0  0
 33 19  1  0  0  0  0
 34 20  1  0  0  0  0
 35 21  1  0  0  0  0
 36 22  1  0  0  0  0
 37 23  1  0  0  0  0
 38 24  1  0  0  0  0
 39 14  2  0  0  0  0
 39 25  1  0  0  0  0
 40 15  1  0  0  0  0
 40 26  1  0  0  0  0
 41 16  1  0  0  0  0
 41 27  1  0  0  0  0
 42 17  1  0  0  0  0
 42 26  1  0  0  0  0
 43 18  1  0  0  0  0
 43 27  1  0  0  0  0
M  CHG  1  39   1
M  END
> <DATABASE_ID>
HMDB0037986

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=C(O)C=CC(=C2)C2=C(OC3OC(CO)C(O)C(O)C3O)C=C3C(O)=CC(O)=CC3=[O+]2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-3-9(1-2-12(15)31)25-16(6-11-13(32)4-10(30)5-14(11)39-25)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1

> <INCHI_KEY>
MNKUMWVPHXPSLS-UHFFFAOYSA-O

> <FORMULA>
C27H31O16

> <MOLECULAR_WEIGHT>
611.5254

> <EXACT_MASS>
611.161209944

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
58.09987248853347

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,7-dihydroxy-2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

> <ALOGPS_LOGP>
-0.43

> <JCHEM_LOGP>
-2.2763

> <ALOGPS_LOGS>
-2.67

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.5169177443018524

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.39367857574361

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6483954110345156

> <JCHEM_POLAR_SURFACE_AREA>
272.59

> <JCHEM_REFRACTIVITY>
148.4019

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.38e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7-dihydroxy-2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037986
     RDKit          3D
Cyanidin 3,3'-diglucoside
 74 78  0  0  0  0  0  0  0  0999 V2000
    8.9898    0.8681    1.3438 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7964    1.2836    0.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9714    0.1362    0.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8067    0.7205   -0.2623 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508   -0.3408   -0.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6868   -0.0853   -0.6669 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4367    0.2537   -0.7764 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3963   -0.2498    0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0810    0.1206   -0.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9456   -0.4216    0.8038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5071   -1.2720    1.7082 O   0  0  0  0  0  3  0  0  0  0  0  0
   -1.2175   -1.8656    2.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6974   -2.7498    3.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4445   -3.3881    4.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8439   -4.2844    5.3829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7854   -3.1112    4.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3560   -2.2122    3.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7027   -1.9674    3.6757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5859   -1.5695    2.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1082   -0.6945    1.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2813   -0.0884    0.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7935    0.7528   -0.1344 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9605    1.4101   -0.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1232    0.5483   -0.1151 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1610    1.5062    0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2302    1.0916    0.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1809    2.1019    1.0617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6484    1.8302   -1.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8342    1.1926   -1.6737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5278    1.3328   -2.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5015   -0.0502   -2.1807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2390    1.9715   -1.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2594    1.9330   -2.6554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2189    1.0336   -1.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7432    1.6062   -1.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0418    1.1975   -1.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0027    1.7564   -2.5758 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -0.8258   -1.9952 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7311   -1.7567   -2.6302 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8794   -1.4672   -1.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7016   -2.7270   -1.1068 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7403   -0.5648   -0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7289   -1.3562   -0.2145 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2514    1.5085    2.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0657    1.9734   -0.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2205    1.9089    1.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7126   -0.5415    1.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1887   -1.2282    0.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6718   -0.9839    0.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3619   -2.9588    3.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8018   -5.2808    5.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4001   -3.5998    5.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1758   -1.3495    3.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1563   -0.4659    1.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1255    2.1391    0.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7312    2.4896    0.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8339    0.9135    1.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7746    0.1802    0.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8490    2.9850    0.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7360    2.9429   -1.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4575    1.7409   -2.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6598    1.7267   -3.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3774   -0.4122   -1.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5230    3.0647   -1.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0417    2.8116   -3.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2078    1.4096   -1.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4283    2.3215   -2.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9627    1.5210   -2.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7335    0.0621   -2.6203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8411   -1.4032   -2.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -1.6419   -2.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1424   -2.8151   -0.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2589    0.1889   -1.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5100   -0.8064   -0.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 25 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
  9 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
  5 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 42  3  1  0
 36  7  1  0
 21 10  1  0
 32 23  1  0
 19 12  1  0
  1 44  1  0
  2 45  1  0
  2 46  1  0
  3 47  1  0
  5 48  1  0
  8 49  1  0
 13 50  1  0
 15 51  1  0
 16 52  1  0
 18 53  1  0
 20 54  1  0
 23 55  1  0
 25 56  1  0
 26 57  1  0
 26 58  1  0
 27 59  1  0
 28 60  1  0
 29 61  1  0
 30 62  1  0
 31 63  1  0
 32 64  1  0
 33 65  1  0
 34 66  1  0
 35 67  1  0
 37 68  1  0
 38 69  1  0
 39 70  1  0
 40 71  1  0
 41 72  1  0
 42 73  1  0
 43 74  1  0
M  CHG  1  11   1
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  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      14.671  -6.930   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      14.671  -5.390   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      16.004  -4.620   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      16.004  -3.080   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      14.671  -2.310   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      13.337  -3.080   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      16.004  -7.700   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      10.669   6.160   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      12.003  -5.390   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      17.338  -5.390   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       8.002   6.160   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      17.338  -2.310   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       5.335   4.620   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      14.671  -0.770   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+1
HETATM   40  O   UNK     0      12.003  -2.310   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       8.002   0.000   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      13.337  -4.620   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
CONECT    1    2    9                                                       
CONECT    2    1   12                                                       
CONECT    3    9   15                                                       
CONECT    4   10   13                                                       
CONECT    5   10   14                                                       
CONECT    6   11   16                                                       
CONECT    7   17   28                                                       
CONECT    8   18   29                                                       
CONECT    9    1    3   25                                                  
CONECT   10    4    5   30                                                  
CONECT   11    6   13   14                                                  
CONECT   12    2   15   31                                                  
CONECT   13    4   11   32                                                  
CONECT   14    5   11   39                                                  
CONECT   15    3   12   40                                                  
CONECT   16    6   25   41                                                  
CONECT   17    7   19   42                                                  
CONECT   18    8   20   43                                                  
CONECT   19   17   21   33                                                  
CONECT   20   18   22   34                                                  
CONECT   21   19   23   35                                                  
CONECT   22   20   24   36                                                  
CONECT   23   21   26   37                                                  
CONECT   24   22   27   38                                                  
CONECT   25    9   16   39                                                  
CONECT   26   23   40   42                                                  
CONECT   27   24   41   43                                                  
CONECT   28    7                                                            
CONECT   29    8                                                            
CONECT   30   10                                                            
CONECT   31   12                                                            
CONECT   32   13                                                            
CONECT   33   19                                                            
CONECT   34   20                                                            
CONECT   35   21                                                            
CONECT   36   22                                                            
CONECT   37   23                                                            
CONECT   38   24                                                            
CONECT   39   14   25                                                       
CONECT   40   15   26                                                       
CONECT   41   16   27                                                       
CONECT   42   17   26                                                       
CONECT   43   18   27                                                       
MASTER        0    0    0    0    0    0    0    0   43    0   94    0
END

COMPND    HMDB0037986
HETATM    1  O1  UNL     1       8.990   0.868   1.344  1.00  0.00           O  
HETATM    2  C1  UNL     1       7.796   1.284   0.778  1.00  0.00           C  
HETATM    3  C2  UNL     1       6.971   0.136   0.250  1.00  0.00           C  
HETATM    4  O2  UNL     1       5.807   0.720  -0.262  1.00  0.00           O  
HETATM    5  C3  UNL     1       4.951  -0.341  -0.663  1.00  0.00           C  
HETATM    6  O3  UNL     1       3.687  -0.085  -0.667  1.00  0.00           O  
HETATM    7  C4  UNL     1       2.437   0.254  -0.776  1.00  0.00           C  
HETATM    8  C5  UNL     1       1.396  -0.250   0.018  1.00  0.00           C  
HETATM    9  C6  UNL     1       0.081   0.121  -0.101  1.00  0.00           C  
HETATM   10  C7  UNL     1      -0.946  -0.422   0.804  1.00  0.00           C  
HETATM   11  O4  UNL     1      -0.507  -1.272   1.708  1.00  0.00           O1+
HETATM   12  C8  UNL     1      -1.217  -1.866   2.612  1.00  0.00           C  
HETATM   13  C9  UNL     1      -0.697  -2.750   3.522  1.00  0.00           C  
HETATM   14  C10 UNL     1      -1.444  -3.388   4.483  1.00  0.00           C  
HETATM   15  O5  UNL     1      -0.844  -4.284   5.383  1.00  0.00           O  
HETATM   16  C11 UNL     1      -2.785  -3.111   4.516  1.00  0.00           C  
HETATM   17  C12 UNL     1      -3.356  -2.212   3.601  1.00  0.00           C  
HETATM   18  O6  UNL     1      -4.703  -1.967   3.676  1.00  0.00           O  
HETATM   19  C13 UNL     1      -2.586  -1.569   2.628  1.00  0.00           C  
HETATM   20  C14 UNL     1      -3.108  -0.695   1.714  1.00  0.00           C  
HETATM   21  C15 UNL     1      -2.281  -0.088   0.755  1.00  0.00           C  
HETATM   22  O7  UNL     1      -2.794   0.753  -0.134  1.00  0.00           O  
HETATM   23  C16 UNL     1      -3.961   1.410  -0.367  1.00  0.00           C  
HETATM   24  O8  UNL     1      -5.123   0.548  -0.115  1.00  0.00           O  
HETATM   25  C17 UNL     1      -6.161   1.506   0.024  1.00  0.00           C  
HETATM   26  C18 UNL     1      -7.230   1.092   0.968  1.00  0.00           C  
HETATM   27  O9  UNL     1      -8.181   2.102   1.062  1.00  0.00           O  
HETATM   28  C19 UNL     1      -6.648   1.830  -1.373  1.00  0.00           C  
HETATM   29  O10 UNL     1      -7.834   1.193  -1.674  1.00  0.00           O  
HETATM   30  C20 UNL     1      -5.528   1.333  -2.303  1.00  0.00           C  
HETATM   31  O11 UNL     1      -5.502  -0.050  -2.181  1.00  0.00           O  
HETATM   32  C21 UNL     1      -4.239   1.971  -1.705  1.00  0.00           C  
HETATM   33  O12 UNL     1      -3.259   1.933  -2.655  1.00  0.00           O  
HETATM   34  C22 UNL     1      -0.219   1.034  -1.056  1.00  0.00           C  
HETATM   35  C23 UNL     1       0.743   1.606  -1.915  1.00  0.00           C  
HETATM   36  C24 UNL     1       2.042   1.198  -1.745  1.00  0.00           C  
HETATM   37  O13 UNL     1       3.003   1.756  -2.576  1.00  0.00           O  
HETATM   38  C25 UNL     1       5.554  -0.826  -1.995  1.00  0.00           C  
HETATM   39  O14 UNL     1       4.731  -1.757  -2.630  1.00  0.00           O  
HETATM   40  C26 UNL     1       6.879  -1.467  -1.658  1.00  0.00           C  
HETATM   41  O15 UNL     1       6.702  -2.727  -1.107  1.00  0.00           O  
HETATM   42  C27 UNL     1       7.740  -0.565  -0.848  1.00  0.00           C  
HETATM   43  O16 UNL     1       8.729  -1.356  -0.214  1.00  0.00           O  
HETATM   44  H1  UNL     1       9.251   1.509   2.059  1.00  0.00           H  
HETATM   45  H2  UNL     1       8.066   1.973  -0.077  1.00  0.00           H  
HETATM   46  H3  UNL     1       7.221   1.909   1.498  1.00  0.00           H  
HETATM   47  H4  UNL     1       6.713  -0.541   1.078  1.00  0.00           H  
HETATM   48  H5  UNL     1       5.189  -1.228   0.027  1.00  0.00           H  
HETATM   49  H6  UNL     1       1.672  -0.984   0.771  1.00  0.00           H  
HETATM   50  H7  UNL     1       0.362  -2.959   3.481  1.00  0.00           H  
HETATM   51  H8  UNL     1      -0.802  -5.281   5.096  1.00  0.00           H  
HETATM   52  H9  UNL     1      -3.400  -3.600   5.264  1.00  0.00           H  
HETATM   53  H10 UNL     1      -5.176  -1.349   3.072  1.00  0.00           H  
HETATM   54  H11 UNL     1      -4.156  -0.466   1.735  1.00  0.00           H  
HETATM   55  H12 UNL     1      -4.126   2.139   0.490  1.00  0.00           H  
HETATM   56  H13 UNL     1      -5.731   2.490   0.400  1.00  0.00           H  
HETATM   57  H14 UNL     1      -6.834   0.913   1.964  1.00  0.00           H  
HETATM   58  H15 UNL     1      -7.775   0.180   0.604  1.00  0.00           H  
HETATM   59  H16 UNL     1      -7.849   2.985   0.811  1.00  0.00           H  
HETATM   60  H17 UNL     1      -6.736   2.943  -1.525  1.00  0.00           H  
HETATM   61  H18 UNL     1      -8.457   1.741  -2.229  1.00  0.00           H  
HETATM   62  H19 UNL     1      -5.660   1.727  -3.290  1.00  0.00           H  
HETATM   63  H20 UNL     1      -6.377  -0.412  -1.818  1.00  0.00           H  
HETATM   64  H21 UNL     1      -4.523   3.065  -1.601  1.00  0.00           H  
HETATM   65  H22 UNL     1      -3.042   2.812  -3.060  1.00  0.00           H  
HETATM   66  H23 UNL     1      -1.208   1.410  -1.230  1.00  0.00           H  
HETATM   67  H24 UNL     1       0.428   2.321  -2.655  1.00  0.00           H  
HETATM   68  H25 UNL     1       3.963   1.521  -2.489  1.00  0.00           H  
HETATM   69  H26 UNL     1       5.733   0.062  -2.620  1.00  0.00           H  
HETATM   70  H27 UNL     1       3.841  -1.403  -2.841  1.00  0.00           H  
HETATM   71  H28 UNL     1       7.417  -1.642  -2.639  1.00  0.00           H  
HETATM   72  H29 UNL     1       7.142  -2.815  -0.224  1.00  0.00           H  
HETATM   73  H30 UNL     1       8.259   0.189  -1.490  1.00  0.00           H  
HETATM   74  H31 UNL     1       9.510  -0.806  -0.081  1.00  0.00           H  
CONECT    1    2   44
CONECT    2    3   45   46
CONECT    3    4   42   47
CONECT    4    5
CONECT    5    6   38   48
CONECT    6    7
CONECT    7    8    8   36
CONECT    8    9   49
CONECT    9   10   34   34
CONECT   10   11   11   21
CONECT   11   12
CONECT   12   13   13   19
CONECT   13   14   50
CONECT   14   15   16   16
CONECT   15   51
CONECT   16   17   52
CONECT   17   18   19   19
CONECT   18   53
CONECT   19   20
CONECT   20   21   21   54
CONECT   21   22
CONECT   22   23
CONECT   23   24   32   55
CONECT   24   25
CONECT   25   26   28   56
CONECT   26   27   57   58
CONECT   27   59
CONECT   28   29   30   60
CONECT   29   61
CONECT   30   31   32   62
CONECT   31   63
CONECT   32   33   64
CONECT   33   65
CONECT   34   35   66
CONECT   35   36   36   67
CONECT   36   37
CONECT   37   68
CONECT   38   39   40   69
CONECT   39   70
CONECT   40   41   42   71
CONECT   41   72
CONECT   42   43   73
CONECT   43   74
END

HMDB0037986
     RDKit          3D
Cyanidin 3,3'-diglucoside
 74 78  0  0  0  0  0  0  0  0999 V2000
    8.9898    0.8681    1.3438 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7964    1.2836    0.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9714    0.1362    0.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8067    0.7205   -0.2623 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508   -0.3408   -0.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6868   -0.0853   -0.6669 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4367    0.2537   -0.7764 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3963   -0.2498    0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0810    0.1206   -0.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9456   -0.4216    0.8038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5071   -1.2720    1.7082 O   0  0  0  0  0  3  0  0  0  0  0  0
   -1.2175   -1.8656    2.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6974   -2.7498    3.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4445   -3.3881    4.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8439   -4.2844    5.3829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7854   -3.1112    4.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3560   -2.2122    3.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7027   -1.9674    3.6757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5859   -1.5695    2.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1082   -0.6945    1.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2813   -0.0884    0.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7935    0.7528   -0.1344 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9605    1.4101   -0.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1232    0.5483   -0.1151 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1610    1.5062    0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2302    1.0916    0.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1809    2.1019    1.0617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6484    1.8302   -1.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8342    1.1926   -1.6737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5278    1.3328   -2.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5015   -0.0502   -2.1807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2390    1.9715   -1.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2594    1.9330   -2.6554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2189    1.0336   -1.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7432    1.6062   -1.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0418    1.1975   -1.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0027    1.7564   -2.5758 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -0.8258   -1.9952 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7311   -1.7567   -2.6302 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8794   -1.4672   -1.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7016   -2.7270   -1.1068 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7403   -0.5648   -0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7289   -1.3562   -0.2145 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2514    1.5085    2.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0657    1.9734   -0.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2205    1.9089    1.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7126   -0.5415    1.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1887   -1.2282    0.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6718   -0.9839    0.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3619   -2.9588    3.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8018   -5.2808    5.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4001   -3.5998    5.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1758   -1.3495    3.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1563   -0.4659    1.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1255    2.1391    0.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7312    2.4896    0.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8339    0.9135    1.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7746    0.1802    0.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8490    2.9850    0.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7360    2.9429   -1.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4575    1.7409   -2.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6598    1.7267   -3.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3774   -0.4122   -1.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5230    3.0647   -1.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0417    2.8116   -3.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2078    1.4096   -1.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4283    2.3215   -2.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9627    1.5210   -2.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7335    0.0621   -2.6203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8411   -1.4032   -2.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -1.6419   -2.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1424   -2.8151   -0.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2589    0.1889   -1.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5100   -0.8064   -0.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 25 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
  9 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
  5 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 42  3  1  0
 36  7  1  0
 21 10  1  0
 32 23  1  0
 19 12  1  0
  1 44  1  0
  2 45  1  0
  2 46  1  0
  3 47  1  0
  5 48  1  0
  8 49  1  0
 13 50  1  0
 15 51  1  0
 16 52  1  0
 18 53  1  0
 20 54  1  0
 23 55  1  0
 25 56  1  0
 26 57  1  0
 26 58  1  0
 27 59  1  0
 28 60  1  0
 29 61  1  0
 30 62  1  0
 31 63  1  0
 32 64  1  0
 33 65  1  0
 34 66  1  0
 35 67  1  0
 37 68  1  0
 38 69  1  0
 39 70  1  0
 40 71  1  0
 41 72  1  0
 42 73  1  0
 43 74  1  0
M  CHG  1  11   1
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₇H₃₁O₁₆

Average Molecular Weight

611.5254

Monoisotopic Molecular Weight

611.161209944

IUPAC Name

5,7-dihydroxy-2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

Traditional Name

5,7-dihydroxy-2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

CAS Registry Number

64963-54-8

SMILES

OCC1OC(OC2=C(O)C=CC(=C2)C2=C(OC3OC(CO)C(O)C(O)C3O)C=C3C(O)=CC(O)=CC3=[O+]2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-3-9(1-2-12(15)31)25-16(6-11-13(32)4-10(30)5-14(11)39-25)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1

InChI Key

MNKUMWVPHXPSLS-UHFFFAOYSA-O

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Anthocyanidin-3-O-glycosides

Alternative Parents

Not Available

Substituents

Not Available

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0037986)
Cytoplasm (HMDB: HMDB0037986)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037986)

Source

Exogenous

Food

Food (HMDB: HMDB0037986)

Fruit

Fruits (FooDB: FOOD00871)

Endogenous

Plant

Plant (HMDB: HMDB0037986)

Not Available

Nutrient (HMDB: HMDB0037986)

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	1.38 g/L	ALOGPS
logP	-0.43	ALOGPS
logP	-2.3	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	6.39	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	272.59 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	148.4 m³·mol⁻¹	ChemAxon
Polarizability	58.1 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
DeepCCS	[M+H]+	227.374	30932474
DeepCCS	[M-H]-	225.284	30932474
DeepCCS	[M-2H]-	258.522	30932474
DeepCCS	[M+Na]+	233.114	30932474
AllCCS	[M+H]+	232.3	32859911
AllCCS	[M+H-H2O]+	231.1	32859911
AllCCS	[M+NH4]+	233.4	32859911
AllCCS	[M+Na]+	233.7	32859911
AllCCS	[M-H]-	227.1	32859911
AllCCS	[M+Na-2H]-	229.2	32859911
AllCCS	[M+HCOO]-	231.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Cyanidin 3,3'-diglucoside	OCC1OC(OC2=C(O)C=CC(=C2)C2=C(OC3OC(CO)C(O)C(O)C3O)C=C3C(O)=CC(O)=CC3=[O+]2)C(O)C(O)C1O	6090.0	Standard polar	33892256
Cyanidin 3,3'-diglucoside	OCC1OC(OC2=C(O)C=CC(=C2)C2=C(OC3OC(CO)C(O)C(O)C3O)C=C3C(O)=CC(O)=CC3=[O+]2)C(O)C(O)C1O	5721.6	Standard non polar	33892256
Cyanidin 3,3'-diglucoside	OCC1OC(OC2=C(O)C=CC(=C2)C2=C(OC3OC(CO)C(O)C(O)C3O)C=C3C(O)=CC(O)=CC3=[O+]2)C(O)C(O)C1O	5849.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Cyanidin 3,3'-diglucoside,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C(O)C1O	5643.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,1TMS,isomer #10	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C1O	5668.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,1TMS,isomer #11	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C1O	5686.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,1TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C=C1OC1OC(CO)C(O)C(O)C1O	5693.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,1TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5643.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,1TMS,isomer #4	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C1O	5687.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,1TMS,isomer #5	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C1O	5667.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,1TMS,isomer #6	C[Si](C)(C)OC1C(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)OC(CO)C(O)C1O	5689.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,1TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=C(OC3OC(CO)C(O)C(O)C3O)C=C12	5738.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,1TMS,isomer #8	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5755.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,1TMS,isomer #9	C[Si](C)(C)OC1C(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)OC(CO)C(O)C1O	5688.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C(O)C1O	5542.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	5523.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5592.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C=C1OC1OC(CO)C(O)C(O)C1O	5580.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5534.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C1OC1OC(CO)C(O)C(O)C1O	5555.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #15	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C1OC1OC(CO)C(O)C(O)C1O	5538.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C1OC1OC(CO)C(O)C(O)C1O	5566.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #17	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5556.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5539.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #19	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5565.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C(O)C1O	5532.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5530.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5542.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O	5509.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	5496.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5526.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5538.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	5505.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	5523.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #28	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C=C12	5542.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #29	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5565.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=CC=C2O)C(O)C(O)C1O	5511.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #30	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O)C1O	5532.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #31	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C1O	5507.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #32	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C1O	5542.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #33	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C1O	5541.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #34	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C1O[Si](C)(C)C	5527.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #35	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C=C12	5508.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #36	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5526.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #37	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C1O	5506.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #38	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C1O	5475.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #39	C[Si](C)(C)OC1C(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)OC(CO)C(O)C1O	5519.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O)C(O)C1O	5510.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #40	C[Si](C)(C)OC1C(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)OC(CO)C(O)C1O[Si](C)(C)C	5560.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #41	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C=C12	5553.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #42	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5573.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #43	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O)C1O	5540.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #44	C[Si](C)(C)OC1C(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)OC(CO)C(O)C1O	5518.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #45	C[Si](C)(C)OC1C(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)OC(CO)C(O)C1O	5555.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #46	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5570.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #47	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=C(OC3OC(CO)C(O)C(O)C3O)C=C12	5542.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #48	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=C(OC3OC(CO)C(O)C(O)C3O)C=C12	5511.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #49	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=C(OC3OC(CO)C(O)C(O)C3O)C=C12	5552.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C(O)C1O	5496.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #50	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=[O+]C2=C1	5564.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #51	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=[O+]C2=C1	5528.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #52	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5573.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #53	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O[Si](C)(C)C)C1O	5543.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #54	C[Si](C)(C)OC1C(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)OC(CO)C(O)C1O[Si](C)(C)C	5563.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #55	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C1O[Si](C)(C)C	5529.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O	5528.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	5535.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	5537.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	5506.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C(O)C1O	5313.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=CC=C2O)C(O)C(O)C1O	5336.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #100	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5385.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #101	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5363.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #102	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	5311.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #103	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	5345.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #104	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	5411.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #105	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	5362.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #106	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	5390.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #107	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5393.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #108	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5418.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #109	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5352.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O)C(O)C1O	5348.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #110	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5343.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #111	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C=C12	5366.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #112	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C=C12	5328.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #113	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C=C12	5373.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #114	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C12	5343.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #115	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C12	5383.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #116	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5342.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #117	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5379.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #118	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=[O+]C2=C1	5383.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #119	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=[O+]C2=C1	5341.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C(O)C1O	5305.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #120	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5390.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #121	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C1O	5348.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #122	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O)C1O	5382.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #123	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O)C1O	5382.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #124	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O)C1O	5351.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #125	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C1O	5393.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #126	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C1O	5341.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #127	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC=C2O)C1O	5304.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #128	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O	5389.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #129	C[Si](C)(C)OC1C(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC=C2O)OC(CO)C(O)C1O	5356.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O	5360.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #130	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5418.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #131	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5292.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #132	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C=C12	5326.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #133	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C=C12	5282.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #134	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C=C12	5331.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #135	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C12	5382.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #136	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5386.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #137	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=[O+]C2=C1	5339.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #138	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=[O+]C2=C1	5296.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #139	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5346.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	5391.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #140	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC=C2O)C(O)C1O	5392.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #141	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O[Si](C)(C)C)C1O	5339.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #142	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C1O	5304.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #143	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC=C2O)C1O	5350.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #144	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C1O	5350.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #145	C[Si](C)(C)OC1C(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC=C2O)OC(CO)C(O)C1O	5402.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #146	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5352.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #147	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C=C12	5376.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #148	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C=C12	5335.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #149	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C=C12	5386.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	5382.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #150	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=[O+]C2=C1	5391.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #151	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=[O+]C2=C1	5347.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #152	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5401.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #153	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C1O	5389.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #154	C[Si](C)(C)OC1C(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)OC(CO)C(O)C1O	5357.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #155	C[Si](C)(C)OC1C(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)OC(CO)C(O)C1O	5403.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #156	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=[O+]C2=C1	5343.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #157	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=[O+]C2=C1	5295.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #158	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5349.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #159	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3)=C(OC3OC(CO)C(O)C(O)C3O)C=C12	5346.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	5335.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #160	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3)=C(OC3OC(CO)C(O)C(O)C3O)C=C12	5382.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #161	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)=C(OC3OC(CO)C(O)C(O)C3O)C=C12	5383.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #162	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3)=[O+]C2=C1	5343.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #163	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5379.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #164	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5387.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #165	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5421.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	5363.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O)C(O)C1O	5379.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C(O)C1O	5350.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=CC=C2O)C(O)C(O)C1O	5338.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O	5398.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	5395.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5395.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	5350.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O	5378.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C(O)C1O	5342.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O	5373.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	5400.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	5395.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	5355.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O)C(O)C1O	5356.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	5379.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O	5385.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	5371.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	5362.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	5313.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	5345.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	5416.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	5410.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	5364.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #39	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	5393.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C(O)C1O	5312.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5434.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5391.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5410.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #43	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5394.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #44	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5419.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #45	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5354.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #46	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5377.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #47	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5387.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #48	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5420.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #49	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5379.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O	5365.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #50	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5426.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #51	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=[O+]C2=C1	5419.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #52	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=[O+]C2=C1	5380.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #53	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5429.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #54	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5390.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #55	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C1OC1OC(CO)C(O)C(O)C1O	5410.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #56	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C1OC1OC(CO)C(O)C(O)C1O	5372.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #57	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C1OC1OC(CO)C(O)C(O)C1O	5419.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #58	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5410.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #59	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5374.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	5388.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #60	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5420.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #61	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O	5402.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #62	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	5371.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #63	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5419.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #64	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5432.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #65	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	5391.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #66	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	5410.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #67	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1OC1OC(CO)C(O)C(O)C1O	5390.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #68	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1OC1OC(CO)C(O)C(O)C1O	5422.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #69	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5414.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	5385.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #70	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5382.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #71	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5422.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #72	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1OC1OC(CO)C(O)C(O)C1O	5434.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #73	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5381.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #74	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5338.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #75	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5391.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #76	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5421.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #77	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5392.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #78	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5434.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #79	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5391.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	5335.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #80	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5424.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #81	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5436.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #82	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5312.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #83	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O	5347.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #84	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	5305.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #85	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5357.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #86	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5383.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #87	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	5332.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #88	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	5362.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #89	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O	5355.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	5365.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #90	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	5313.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #91	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5364.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #92	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5385.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #93	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	5332.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #94	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	5365.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #95	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	5343.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #96	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5371.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #97	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5398.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #98	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	5354.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,3TMS,isomer #99	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	5379.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=CC=C2O)C(O)C(O)C1O	5099.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C(O)C1O	5134.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #100	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5195.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #101	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	5203.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #102	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	5217.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #103	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	5165.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #104	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	5198.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #105	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5193.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #106	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5145.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #107	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5169.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #108	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5175.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #109	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5207.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O	5189.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #110	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5154.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #111	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5244.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #112	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5195.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #113	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5219.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #114	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5229.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #115	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5262.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #116	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5207.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #117	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5242.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #118	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5267.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #119	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5213.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	5170.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #120	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5287.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #121	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5154.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #122	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5200.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #123	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5149.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #124	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5207.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #125	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=[O+]C2=C1	5202.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #126	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=[O+]C2=C1	5151.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #127	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5211.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #128	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O	5194.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #129	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	5153.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5189.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #130	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5205.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #131	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5226.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #132	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	5180.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #133	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	5204.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #134	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5199.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #135	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5226.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #136	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=[O+]C2=C1	5221.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #137	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=[O+]C2=C1	5178.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #138	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5229.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #139	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5225.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	5135.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #140	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=[O+]C2=C1	5178.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #141	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=[O+]C2=C1	5129.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #142	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5189.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #143	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=[O+]C2=C1	5230.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #144	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=[O+]C2=C1	5187.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #145	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5237.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #146	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3)=[O+]C2=C1	5201.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #147	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5232.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #148	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5229.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #149	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O	5168.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O	5168.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #150	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	5124.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #151	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5180.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #152	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5200.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #153	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	5153.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #154	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	5176.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #155	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1OC1OC(CO)C(O)C(O)C1O	5176.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #156	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1OC1OC(CO)C(O)C(O)C1O	5202.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #157	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5198.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #158	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5151.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #159	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5206.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C(O)C1O	5147.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #160	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1OC1OC(CO)C(O)C(O)C1O	5204.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #161	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5154.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #162	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5102.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #163	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5163.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #164	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5208.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #165	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5163.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #166	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5216.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #167	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5177.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #168	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5205.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #169	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5206.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O	5168.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #170	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	5172.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #171	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5203.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #172	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5232.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #173	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	5188.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #174	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	5207.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #175	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5203.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #176	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5190.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #177	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	5143.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #178	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	5168.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #179	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	5242.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	5195.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #180	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	5193.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #181	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	5217.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #182	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5239.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #183	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5261.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #184	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5214.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #185	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1OC1OC(CO)C(O)C(O)C1O	5252.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #186	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5196.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #187	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5156.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #188	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5204.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #189	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5225.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	5201.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #190	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5180.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #191	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5234.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #192	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5195.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #193	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5227.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #194	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5226.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #195	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5225.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #196	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5181.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #197	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5232.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #198	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5155.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #199	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5182.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O)C(O)C1O	5128.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	5150.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #200	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5181.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #201	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5203.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #202	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5235.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #203	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5233.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #204	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5254.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #205	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O	5128.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #206	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	5079.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #207	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5136.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #208	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5161.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #209	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	5108.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	5182.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #210	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	5142.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #211	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	5111.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #212	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5133.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #213	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5171.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #214	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	5118.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #215	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	5147.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #216	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5134.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #217	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5122.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #218	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	5069.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #219	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	5101.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O	5167.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #220	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	5180.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #221	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	5124.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #222	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	5156.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #223	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5170.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #224	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5200.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #225	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5152.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #226	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	5143.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #227	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5169.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #228	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5199.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #229	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	5147.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	5154.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #230	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	5179.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #231	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5165.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #232	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5151.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #233	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	5099.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #234	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	5133.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #235	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	5207.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #236	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	5156.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #237	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	5189.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #238	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5198.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #239	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5228.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	5153.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #240	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5182.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #241	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5201.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #242	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5187.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #243	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	5137.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #244	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	5166.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #245	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	5219.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #246	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	5165.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #247	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	5194.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #248	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5217.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #249	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5245.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	5101.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #250	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5196.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #251	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	5216.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #252	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	5164.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #253	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	5194.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #254	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5173.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #255	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5203.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #256	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5155.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #257	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5226.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #258	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5257.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #259	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5206.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	5137.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #260	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5284.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #261	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5137.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #262	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5161.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #263	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=[O+]C2=C1	5167.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #264	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=[O+]C2=C1	5115.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #265	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5169.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #266	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C=C12	5140.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #267	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C=C12	5162.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #268	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C12	5143.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #269	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C12	5164.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	5205.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #270	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C=C12	5162.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #271	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C12	5093.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #272	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C12	5117.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #273	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C12	5146.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #274	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C12	5170.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #275	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C12	5190.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #276	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5212.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #277	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=[O+]C2=C1	5167.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #278	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=[O+]C2=C1	5119.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #279	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5172.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	5209.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #280	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=[O+]C2=C1	5189.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #281	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=[O+]C2=C1	5145.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #282	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5196.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #283	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3)=[O+]C2=C1	5165.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #284	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5191.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #285	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5187.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #286	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC=C2O)C(O)C1O	5217.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #287	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O[Si](C)(C)C)C1O	5175.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #288	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C1O[Si](C)(C)C	5148.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #289	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C1O	5206.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	5158.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #290	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C1O	5175.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #291	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C1O	5219.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #292	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C1O	5202.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #293	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C1O[Si](C)(C)C	5175.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #294	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC=C2O)C1O	5176.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #295	C[Si](C)(C)OC1C(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC=C2O)OC(CO)C(O)C1O	5225.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #296	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5158.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #297	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=[O+]C2=C1	5116.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #298	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=[O+]C2=C1	5065.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #299	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5119.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C(O)C1O	5080.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	5191.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #300	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C=C12	5091.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #301	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C=C12	5115.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #302	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C12	5163.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #303	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C=C12	5111.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #304	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C12	5113.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #305	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C12	5167.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #306	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=[O+]C2=C1	5186.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #307	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=[O+]C2=C1	5138.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #308	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5192.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #309	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3)=[O+]C2=C1	5117.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5230.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #310	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5145.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #311	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5139.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #312	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C1O	5203.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #313	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC=C2O)C(O)C1O[Si](C)(C)C	5175.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #314	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C1O	5176.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #315	C[Si](C)(C)OC1C(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC=C2O)OC(CO)C(O)C1O[Si](C)(C)C	5198.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #316	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)=[O+]C2=C1	5172.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #317	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)=[O+]C2=C1	5121.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #318	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5177.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #319	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3)=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C=C12	5147.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5186.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #320	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3)=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C=C12	5171.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #321	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C=C12	5167.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #322	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3)=[O+]C2=C1	5171.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #323	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5199.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #324	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5192.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #325	C[Si](C)(C)OC1C(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)OC(CO)C(O)C1O	5226.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #326	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3)=[O+]C2=C1	5135.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #327	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5162.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #328	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5159.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #329	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)=C(OC3OC(CO)C(O)C(O)C3O)C=C12	5194.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5207.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #330	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)=[O+]C2=C1	5214.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5203.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5236.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5183.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O)C(O)C1O	5128.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C(O)C1O	5100.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #39	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O	5154.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O	5137.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	5146.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5154.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	5100.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #43	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O	5129.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #44	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C(O)C1O	5115.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #45	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O	5135.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #46	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	5167.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #47	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	5170.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #48	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	5120.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #49	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	5149.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	5158.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #50	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O	5135.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #51	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	5125.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #52	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	5121.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #53	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	5071.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #54	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	5104.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #55	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	5180.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #56	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	5181.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #57	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	5128.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #58	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	5160.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #59	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5203.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	5162.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #60	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5158.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #61	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5177.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #62	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5173.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #63	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5204.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #64	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5151.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #65	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C(O)C1O	5186.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #66	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O	5228.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #67	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	5189.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #68	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	5211.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #69	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	5163.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	5111.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #70	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	5190.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #71	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O	5204.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #72	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	5167.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #73	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	5189.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #74	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	5134.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #75	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	5166.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #76	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	5217.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #77	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	5235.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #78	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5188.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #79	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	5214.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	5146.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #80	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5218.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #81	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	5167.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #82	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O	5190.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #83	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5231.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #84	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	5204.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #85	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O)C(O)C1O	5182.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #86	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O	5203.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #87	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	5173.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #88	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	5190.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #89	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	5141.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O)C(O)C1O	5166.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #90	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	5172.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #91	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	5202.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #92	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	5221.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #93	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	5167.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #94	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	5199.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #95	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5233.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #96	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5189.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #97	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5208.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #98	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5220.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,4TMS,isomer #99	C[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5251.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C(O)C1O	5854.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C1O	5899.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,1TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C1O	5917.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C=C1OC1OC(CO)C(O)C(O)C1O	5880.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5854.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C1O	5917.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C1O	5898.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)OC(CO)C(O)C1O	5916.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=C(OC3OC(CO)C(O)C(O)C3O)C=C12	5902.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5932.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)OC(CO)C(O)C1O	5915.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C(O)C1O	5924.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5894.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5979.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C=C1OC1OC(CO)C(O)C(O)C1O	5956.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5922.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1OC1OC(CO)C(O)C(O)C1O	5947.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1OC1OC(CO)C(O)C(O)C1O	5931.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1OC1OC(CO)C(O)C(O)C1O	5949.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5947.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5933.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5951.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C(O)C1O	5898.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5898.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O	5924.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2)C(O)C(O)C1O	5897.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)C(O)C(O)C1O	5881.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O	5900.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5913.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5907.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5894.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C=C12	5915.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5953.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=CC=C2O)C(O)C(O)C1O	5884.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=CC=C2O)C(O)C1O	5918.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)C(O)C1O	5896.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2)C(O)C1O	5921.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O	5933.2	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)C1O[Si](C)(C)C(C)(C)C	5908.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C=C12	5896.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5931.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=CC=C2O)C(O)C1O	5893.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=CC=C2O)C1O	5873.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=CC=C2O)OC(CO)C(O)C1O	5895.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=CC=C2O)C(O)C(O)C1O	5898.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1C(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	5943.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C=C12	5919.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5957.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=CC=C2O)C(O)C1O	5922.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1C(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)OC(CO)C(O)C1O	5899.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=CC=C2O)OC(CO)C(O)C1O	5928.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)=[O+]C2=C1	5949.3	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3)=C(OC3OC(CO)C(O)C(O)C3O)C=C12	5915.0	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3)=C(OC3OC(CO)C(O)C(O)C3O)C=C12	5899.1	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3)=C(OC3OC(CO)C(O)C(O)C3O)C=C12	5916.8	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=CC=C2O)C(O)C(O)C1O	5880.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3)=[O+]C2=C1	5952.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3)=[O+]C2=C1	5934.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3O)C(C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	5953.9	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O[Si](C)(C)C(C)(C)C)C1O	5930.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	5941.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C1O[Si](C)(C)C(C)(C)C	5910.5	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=CC=C2O)C(O)C(O)C1O	5903.4	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5924.6	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5911.7	Semi standard non polar	33892256
Cyanidin 3,3'-diglucoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=[O+]C4=CC(O)=CC(O)=C4C=C3OC3OC(CO)C(O)C(O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5909.4	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 - Cyanidin 3,3'-diglucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0007-2200190000-ea4c1a156df7530b4d9f	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (1 TMS) - 70eV, Positive	splash10-0wt9-5600019000-c2a1af1426f955f21e81	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (TMS_1_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3,3'-diglucoside 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 - Cyanidin 3,3'-diglucoside 10V, Positive-QTOF	splash10-03di-0100009000-c2f3bb1669588c3252f3	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3,3'-diglucoside 20V, Positive-QTOF	splash10-06r6-2500098000-9f6efd72201879a05b06	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3,3'-diglucoside 40V, Positive-QTOF	splash10-03dm-7900111000-4e76c2c3d065c9fe4b80	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3,3'-diglucoside 10V, Negative-QTOF	splash10-03di-1300009000-36305ac7246495680398	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3,3'-diglucoside 20V, Negative-QTOF	splash10-08fr-5800109000-4b07de649f28b6468c4f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3,3'-diglucoside 40V, Negative-QTOF	splash10-0006-9300100000-a5d484e7989228a57b08	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3,3'-diglucoside 10V, Positive-QTOF	splash10-0udj-0000931000-de942b6e32c25379c29d	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3,3'-diglucoside 20V, Positive-QTOF	splash10-0w34-2210941000-1a15fb23365ce0b195ab	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3,3'-diglucoside 40V, Positive-QTOF	splash10-08fs-7384901000-217cbbe94ed75b19d54a	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

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

FDB017175

KNApSAcK ID

C00006668

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

74976930

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.. .

Showing metabocard for Cyanidin 3,3'-diglucoside (HMDB0037986)

MOL for HMDB0037986 (Cyanidin 3,3'-diglucoside)

3D MOL for HMDB0037986 (Cyanidin 3,3'-diglucoside)

3D SDF for HMDB0037986 (Cyanidin 3,3'-diglucoside)

3D-SDF for HMDB0037986 (Cyanidin 3,3'-diglucoside)

PDB for HMDB0037986 (Cyanidin 3,3'-diglucoside)

3D PDB for HMDB0037986 (Cyanidin 3,3'-diglucoside)

SMILES for HMDB0037986 (Cyanidin 3,3'-diglucoside)

INCHI for HMDB0037986 (Cyanidin 3,3'-diglucoside)

Structure for HMDB0037986 (Cyanidin 3,3'-diglucoside)

3D Structure for HMDB0037986 (Cyanidin 3,3'-diglucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra