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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:16:05 UTC

Update Date

2022-03-07 02:55:35 UTC

HMDB ID

HMDB0037993

Secondary Accession Numbers

HMDB37993

Metabolite Identification

Common Name

Cyanidin 3-rhamnoside 5-glucoside

Description

Cyanidin 3-rhamnoside 5-glucoside, also known as cyanidin 5-glucoside 3-rhamnoside, belongs to the class of organic compounds known as anthocyanidin-5-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position. Cyanidin 3-rhamnoside 5-glucoside is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, cyanidin 3-rhamnoside 5-glucoside has been detected, but not quantified in, common pea. This could make cyanidin 3-rhamnoside 5-glucoside a potential biomarker for the consumption of these foods.

Structure

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


  Mrv0541 05061310092D          

 42 46  0  0  0  0            999 V2000
    5.7158    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
    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
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    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
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    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
   -0.7145    2.0625    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
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    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
    6.4302   -1.2375    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
   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    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
    1.4289    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
    2.8579   -1.6500    0.0000 O   0  3  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
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13  3  1  0  0  0  0
 14  4  1  0  0  0  0
 14 13  2  0  0  0  0
 15  5  1  0  0  0  0
 15 12  1  0  0  0  0
 16  6  2  0  0  0  0
 16 12  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  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 10  1  0  0  0  0
 25 17  2  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
 28  8  1  0  0  0  0
 29 11  1  0  0  0  0
 30 13  1  0  0  0  0
 31 14  1  0  0  0  0
 32 19  1  0  0  0  0
 33 20  1  0  0  0  0
 34 21  1  0  0  0  0
 35 22  1  0  0  0  0
 36 23  1  0  0  0  0
 37 24  1  0  0  0  0
 38  9  1  0  0  0  0
 38 26  1  0  0  0  0
 39 15  2  0  0  0  0
 39 25  1  0  0  0  0
 40 16  1  0  0  0  0
 40 27  1  0  0  0  0
 41 17  1  0  0  0  0
 41 26  1  0  0  0  0
 42 18  1  0  0  0  0
 42 27  1  0  0  0  0
M  CHG  1  39   1
M  END

HMDB0037993
     RDKit          3D
Cyanidin 3-rhamnoside 5-glucoside
 73 77  0  0  0  0  0  0  0  0999 V2000
   -4.5899   -3.1768    1.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0760   -2.2873    0.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7784   -2.0163    1.0401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9468   -1.6390    0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1707   -0.3478   -0.3673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4372    0.7591   -0.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0844    0.6810   -0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7036    1.8156   -0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0649    1.7994    0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5300    0.5677    0.5957 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8262    0.2526    0.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2582   -0.8204    0.2064 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5752   -1.1379    0.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7845   -2.6394    0.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1117   -2.9586    0.7647 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2138   -0.3926    1.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3940   -1.0625    1.8843 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3601   -0.3082    2.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6472   -1.3196    3.7054 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8939   -0.2515    2.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2912   -1.4828    2.5745 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8315    2.9425    0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2688    4.1283   -0.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0599    5.2627   -0.4270 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9438    4.1646   -0.6903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1668    3.0065   -0.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0863    3.0295   -0.9229 O   0  0  0  0  0  3  0  0  0  0  0  0
   -1.9080    1.9615   -0.8671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2856    2.1635   -1.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3026    1.2593   -1.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5974    1.5581   -1.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9115    2.8019   -2.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2312    3.0502   -2.5851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9068    3.7237   -2.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1568    4.9832   -2.7450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6257    3.4045   -1.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9132   -2.6932   -1.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0981   -2.3148   -2.1237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2941   -2.8608   -1.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083   -1.7844   -2.4397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3247   -3.0250   -0.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5812   -4.3870   -0.2654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5546   -2.5573    2.8021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5852   -3.5783    1.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8050   -3.9585    1.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6737   -1.3526    0.8223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8824   -1.6549    0.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3980   -0.2066    0.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5252    1.0921    0.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1309   -0.8381   -0.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4805   -3.1599   -0.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1547   -3.0878    1.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5105   -3.4618    0.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4998    0.6189    1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1673   -0.5976    1.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6405    0.6497    3.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5604   -1.6518    3.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4040    0.4473    3.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6796   -1.5286    3.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8698    2.8686    0.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1724    5.9153    0.3515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4369    5.0503   -1.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1061    0.2906   -0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3945    0.8319   -1.5811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5556    3.9097   -2.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0807    5.2044   -3.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8677    4.1628   -1.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5864   -3.6817   -0.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4324   -1.6459   -1.8764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3121   -3.7621   -2.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8059   -1.2315   -2.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3028   -2.6532   -0.9568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6955   -4.8429   -0.4211 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  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
  9 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  2  0
  4 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41  2  1  0
 28  6  1  0
 36 29  1  0
 26  8  1  0
 20 11  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  2 46  1  0
  4 47  1  0
  7 48  1  0
 11 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 16 54  1  0
 17 55  1  0
 18 56  1  0
 19 57  1  0
 20 58  1  0
 21 59  1  0
 22 60  1  0
 24 61  1  0
 25 62  1  0
 30 63  1  0
 31 64  1  0
 33 65  1  0
 35 66  1  0
 36 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
M  CHG  1  27   1
M  END


  Mrv0541 05061310092D          

 42 46  0  0  0  0            999 V2000
    5.7158    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
    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
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    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
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    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
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -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
    6.4302   -1.2375    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
   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    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
    1.4289    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
    2.8579   -1.6500    0.0000 O   0  3  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
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13  3  1  0  0  0  0
 14  4  1  0  0  0  0
 14 13  2  0  0  0  0
 15  5  1  0  0  0  0
 15 12  1  0  0  0  0
 16  6  2  0  0  0  0
 16 12  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  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 10  1  0  0  0  0
 25 17  2  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
 28  8  1  0  0  0  0
 29 11  1  0  0  0  0
 30 13  1  0  0  0  0
 31 14  1  0  0  0  0
 32 19  1  0  0  0  0
 33 20  1  0  0  0  0
 34 21  1  0  0  0  0
 35 22  1  0  0  0  0
 36 23  1  0  0  0  0
 37 24  1  0  0  0  0
 38  9  1  0  0  0  0
 38 26  1  0  0  0  0
 39 15  2  0  0  0  0
 39 25  1  0  0  0  0
 40 16  1  0  0  0  0
 40 27  1  0  0  0  0
 41 17  1  0  0  0  0
 41 26  1  0  0  0  0
 42 18  1  0  0  0  0
 42 27  1  0  0  0  0
M  CHG  1  39   1
M  END
> <DATABASE_ID>
HMDB0037993

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1OC(OC2=C([O+]=C3C=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(38-9)41-17-7-12-15(39-25(17)10-2-3-13(30)14(31)4-10)5-11(29)6-16(12)40-27-24(37)22(35)20(33)18(8-28)42-27/h2-7,9,18-24,26-28,32-37H,8H2,1H3,(H2-,29,30,31)/p+1

> <INCHI_KEY>
MVXCPXSXBRABAU-UHFFFAOYSA-O

> <FORMULA>
C27H31O15

> <MOLECULAR_WEIGHT>
595.526

> <EXACT_MASS>
595.166295322

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
56.86904281201738

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
0.43

> <JCHEM_LOGP>
-1.1906999999999996

> <ALOGPS_LOGS>
-2.83

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.9915193603182235

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.64819439896295

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6483953504161706

> <JCHEM_POLAR_SURFACE_AREA>
252.35999999999993

> <JCHEM_REFRACTIVITY>
146.8582

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.27e-01 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037993
     RDKit          3D
Cyanidin 3-rhamnoside 5-glucoside
 73 77  0  0  0  0  0  0  0  0999 V2000
   -4.5899   -3.1768    1.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0760   -2.2873    0.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7784   -2.0163    1.0401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9468   -1.6390    0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1707   -0.3478   -0.3673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4372    0.7591   -0.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0844    0.6810   -0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7036    1.8156   -0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0649    1.7994    0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5300    0.5677    0.5957 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8262    0.2526    0.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2582   -0.8204    0.2064 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5752   -1.1379    0.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7845   -2.6394    0.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1117   -2.9586    0.7647 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2138   -0.3926    1.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3940   -1.0625    1.8843 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3601   -0.3082    2.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6472   -1.3196    3.7054 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8939   -0.2515    2.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2912   -1.4828    2.5745 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8315    2.9425    0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2688    4.1283   -0.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0599    5.2627   -0.4270 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9438    4.1646   -0.6903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1668    3.0065   -0.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0863    3.0295   -0.9229 O   0  0  0  0  0  3  0  0  0  0  0  0
   -1.9080    1.9615   -0.8671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2856    2.1635   -1.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3026    1.2593   -1.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5974    1.5581   -1.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9115    2.8019   -2.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2312    3.0502   -2.5851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9068    3.7237   -2.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1568    4.9832   -2.7450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6257    3.4045   -1.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9132   -2.6932   -1.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0981   -2.3148   -2.1237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2941   -2.8608   -1.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083   -1.7844   -2.4397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3247   -3.0250   -0.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5812   -4.3870   -0.2654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5546   -2.5573    2.8021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5852   -3.5783    1.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8050   -3.9585    1.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6737   -1.3526    0.8223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8824   -1.6549    0.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3980   -0.2066    0.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5252    1.0921    0.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1309   -0.8381   -0.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4805   -3.1599   -0.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1547   -3.0878    1.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5105   -3.4618    0.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4998    0.6189    1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1673   -0.5976    1.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6405    0.6497    3.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5604   -1.6518    3.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4040    0.4473    3.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6796   -1.5286    3.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8698    2.8686    0.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1724    5.9153    0.3515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4369    5.0503   -1.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1061    0.2906   -0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3945    0.8319   -1.5811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5556    3.9097   -2.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0807    5.2044   -3.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8677    4.1628   -1.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5864   -3.6817   -0.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4324   -1.6459   -1.8764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3121   -3.7621   -2.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8059   -1.2315   -2.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3028   -2.6532   -0.9568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6955   -4.8429   -0.4211 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  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
  9 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  2  0
  4 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41  2  1  0
 28  6  1  0
 36 29  1  0
 26  8  1  0
 20 11  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  2 46  1  0
  4 47  1  0
  7 48  1  0
 11 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 16 54  1  0
 17 55  1  0
 18 56  1  0
 19 57  1  0
 20 58  1  0
 21 59  1  0
 22 60  1  0
 24 61  1  0
 25 62  1  0
 30 63  1  0
 31 64  1  0
 33 65  1  0
 35 66  1  0
 36 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
M  CHG  1  27   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      10.669   4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.336  -2.310   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       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.334   3.850   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       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      12.003  -5.390   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      12.003  -2.310   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       8.002   6.160   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -2.667   4.620   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       5.335   4.620   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       0.000   6.160   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       2.667   4.620   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       9.336   2.310   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       2.667   1.540   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       0.000   1.540   0.000  0.00  0.00           O+0
CONECT    1    9                                                            
CONECT    2    3   10                                                       
CONECT    3    2   13                                                       
CONECT    4   10   14                                                       
CONECT    5   11   15                                                       
CONECT    6   11   16                                                       
CONECT    7   12   17                                                       
CONECT    8   18   28                                                       
CONECT    9    1   19   38                                                  
CONECT   10    2    4   25                                                  
CONECT   11    5    6   29                                                  
CONECT   12    7   15   16                                                  
CONECT   13    3   14   30                                                  
CONECT   14    4   13   31                                                  
CONECT   15    5   12   39                                                  
CONECT   16    6   12   40                                                  
CONECT   17    7   25   41                                                  
CONECT   18    8   20   42                                                  
CONECT   19    9   21   32                                                  
CONECT   20   18   22   33                                                  
CONECT   21   19   23   34                                                  
CONECT   22   20   24   35                                                  
CONECT   23   21   26   36                                                  
CONECT   24   22   27   37                                                  
CONECT   25   10   17   39                                                  
CONECT   26   23   38   41                                                  
CONECT   27   24   40   42                                                  
CONECT   28    8                                                            
CONECT   29   11                                                            
CONECT   30   13                                                            
CONECT   31   14                                                            
CONECT   32   19                                                            
CONECT   33   20                                                            
CONECT   34   21                                                            
CONECT   35   22                                                            
CONECT   36   23                                                            
CONECT   37   24                                                            
CONECT   38    9   26                                                       
CONECT   39   15   25                                                       
CONECT   40   16   27                                                       
CONECT   41   17   26                                                       
CONECT   42   18   27                                                       
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

COMPND    HMDB0037993
HETATM    1  C1  UNL     1      -4.590  -3.177   1.885  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.076  -2.287   0.734  1.00  0.00           C  
HETATM    3  O1  UNL     1      -2.778  -2.016   1.040  1.00  0.00           O  
HETATM    4  C3  UNL     1      -1.947  -1.639   0.023  1.00  0.00           C  
HETATM    5  O2  UNL     1      -2.171  -0.348  -0.367  1.00  0.00           O  
HETATM    6  C4  UNL     1      -1.437   0.759  -0.453  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.084   0.681  -0.092  1.00  0.00           C  
HETATM    8  C6  UNL     1       0.704   1.816  -0.172  1.00  0.00           C  
HETATM    9  C7  UNL     1       2.065   1.799   0.175  1.00  0.00           C  
HETATM   10  O3  UNL     1       2.530   0.568   0.596  1.00  0.00           O  
HETATM   11  C8  UNL     1       3.826   0.253   0.991  1.00  0.00           C  
HETATM   12  O4  UNL     1       4.258  -0.820   0.206  1.00  0.00           O  
HETATM   13  C9  UNL     1       5.575  -1.138   0.426  1.00  0.00           C  
HETATM   14  C10 UNL     1       5.784  -2.639   0.542  1.00  0.00           C  
HETATM   15  O5  UNL     1       7.112  -2.959   0.765  1.00  0.00           O  
HETATM   16  C11 UNL     1       6.214  -0.393   1.556  1.00  0.00           C  
HETATM   17  O6  UNL     1       7.394  -1.063   1.884  1.00  0.00           O  
HETATM   18  C12 UNL     1       5.360  -0.308   2.798  1.00  0.00           C  
HETATM   19  O7  UNL     1       5.647  -1.320   3.705  1.00  0.00           O  
HETATM   20  C13 UNL     1       3.894  -0.252   2.425  1.00  0.00           C  
HETATM   21  O8  UNL     1       3.291  -1.483   2.574  1.00  0.00           O  
HETATM   22  C14 UNL     1       2.831   2.943   0.087  1.00  0.00           C  
HETATM   23  C15 UNL     1       2.269   4.128  -0.347  1.00  0.00           C  
HETATM   24  O9  UNL     1       3.060   5.263  -0.427  1.00  0.00           O  
HETATM   25  C16 UNL     1       0.944   4.165  -0.690  1.00  0.00           C  
HETATM   26  C17 UNL     1       0.167   3.006  -0.601  1.00  0.00           C  
HETATM   27  O10 UNL     1      -1.086   3.029  -0.923  1.00  0.00           O1+
HETATM   28  C18 UNL     1      -1.908   1.962  -0.867  1.00  0.00           C  
HETATM   29  C19 UNL     1      -3.286   2.163  -1.265  1.00  0.00           C  
HETATM   30  C20 UNL     1      -4.303   1.259  -1.201  1.00  0.00           C  
HETATM   31  C21 UNL     1      -5.597   1.558  -1.637  1.00  0.00           C  
HETATM   32  C22 UNL     1      -5.911   2.802  -2.160  1.00  0.00           C  
HETATM   33  O11 UNL     1      -7.231   3.050  -2.585  1.00  0.00           O  
HETATM   34  C23 UNL     1      -4.907   3.724  -2.233  1.00  0.00           C  
HETATM   35  O12 UNL     1      -5.157   4.983  -2.745  1.00  0.00           O  
HETATM   36  C24 UNL     1      -3.626   3.405  -1.793  1.00  0.00           C  
HETATM   37  C25 UNL     1      -1.913  -2.693  -1.029  1.00  0.00           C  
HETATM   38  O13 UNL     1      -1.098  -2.315  -2.124  1.00  0.00           O  
HETATM   39  C26 UNL     1      -3.294  -2.861  -1.601  1.00  0.00           C  
HETATM   40  O14 UNL     1      -3.608  -1.784  -2.440  1.00  0.00           O  
HETATM   41  C27 UNL     1      -4.325  -3.025  -0.528  1.00  0.00           C  
HETATM   42  O15 UNL     1      -4.581  -4.387  -0.265  1.00  0.00           O  
HETATM   43  H1  UNL     1      -4.555  -2.557   2.802  1.00  0.00           H  
HETATM   44  H2  UNL     1      -5.585  -3.578   1.676  1.00  0.00           H  
HETATM   45  H3  UNL     1      -3.805  -3.958   1.999  1.00  0.00           H  
HETATM   46  H4  UNL     1      -4.674  -1.353   0.822  1.00  0.00           H  
HETATM   47  H5  UNL     1      -0.882  -1.655   0.462  1.00  0.00           H  
HETATM   48  H6  UNL     1       0.398  -0.207   0.247  1.00  0.00           H  
HETATM   49  H7  UNL     1       4.525   1.092   0.937  1.00  0.00           H  
HETATM   50  H8  UNL     1       6.131  -0.838  -0.510  1.00  0.00           H  
HETATM   51  H9  UNL     1       5.481  -3.160  -0.392  1.00  0.00           H  
HETATM   52  H10 UNL     1       5.155  -3.088   1.348  1.00  0.00           H  
HETATM   53  H11 UNL     1       7.510  -3.462   0.017  1.00  0.00           H  
HETATM   54  H12 UNL     1       6.500   0.619   1.174  1.00  0.00           H  
HETATM   55  H13 UNL     1       8.167  -0.598   1.523  1.00  0.00           H  
HETATM   56  H14 UNL     1       5.640   0.650   3.306  1.00  0.00           H  
HETATM   57  H15 UNL     1       6.560  -1.652   3.648  1.00  0.00           H  
HETATM   58  H16 UNL     1       3.404   0.447   3.129  1.00  0.00           H  
HETATM   59  H17 UNL     1       2.680  -1.529   3.343  1.00  0.00           H  
HETATM   60  H18 UNL     1       3.870   2.869   0.369  1.00  0.00           H  
HETATM   61  H19 UNL     1       3.172   5.915   0.351  1.00  0.00           H  
HETATM   62  H20 UNL     1       0.437   5.050  -1.036  1.00  0.00           H  
HETATM   63  H21 UNL     1      -4.106   0.291  -0.789  1.00  0.00           H  
HETATM   64  H22 UNL     1      -6.395   0.832  -1.581  1.00  0.00           H  
HETATM   65  H23 UNL     1      -7.556   3.910  -2.976  1.00  0.00           H  
HETATM   66  H24 UNL     1      -6.081   5.204  -3.063  1.00  0.00           H  
HETATM   67  H25 UNL     1      -2.868   4.163  -1.872  1.00  0.00           H  
HETATM   68  H26 UNL     1      -1.586  -3.682  -0.647  1.00  0.00           H  
HETATM   69  H27 UNL     1      -0.432  -1.646  -1.876  1.00  0.00           H  
HETATM   70  H28 UNL     1      -3.312  -3.762  -2.306  1.00  0.00           H  
HETATM   71  H29 UNL     1      -2.806  -1.232  -2.597  1.00  0.00           H  
HETATM   72  H30 UNL     1      -5.303  -2.653  -0.957  1.00  0.00           H  
HETATM   73  H31 UNL     1      -3.695  -4.843  -0.421  1.00  0.00           H  
CONECT    1    2   43   44   45
CONECT    2    3   41   46
CONECT    3    4
CONECT    4    5   37   47
CONECT    5    6
CONECT    6    7    7   28
CONECT    7    8   48
CONECT    8    9    9   26
CONECT    9   10   22
CONECT   10   11
CONECT   11   12   20   49
CONECT   12   13
CONECT   13   14   16   50
CONECT   14   15   51   52
CONECT   15   53
CONECT   16   17   18   54
CONECT   17   55
CONECT   18   19   20   56
CONECT   19   57
CONECT   20   21   58
CONECT   21   59
CONECT   22   23   23   60
CONECT   23   24   25
CONECT   24   61
CONECT   25   26   26   62
CONECT   26   27
CONECT   27   28   28
CONECT   28   29
CONECT   29   30   30   36
CONECT   30   31   63
CONECT   31   32   32   64
CONECT   32   33   34
CONECT   33   65
CONECT   34   35   36   36
CONECT   35   66
CONECT   36   67
CONECT   37   38   39   68
CONECT   38   69
CONECT   39   40   41   70
CONECT   40   71
CONECT   41   42   72
CONECT   42   73
END

HMDB0037993
     RDKit          3D
Cyanidin 3-rhamnoside 5-glucoside
 73 77  0  0  0  0  0  0  0  0999 V2000
   -4.5899   -3.1768    1.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0760   -2.2873    0.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7784   -2.0163    1.0401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9468   -1.6390    0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1707   -0.3478   -0.3673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4372    0.7591   -0.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0844    0.6810   -0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7036    1.8156   -0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0649    1.7994    0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5300    0.5677    0.5957 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8262    0.2526    0.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2582   -0.8204    0.2064 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5752   -1.1379    0.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7845   -2.6394    0.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1117   -2.9586    0.7647 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2138   -0.3926    1.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3940   -1.0625    1.8843 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3601   -0.3082    2.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6472   -1.3196    3.7054 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8939   -0.2515    2.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2912   -1.4828    2.5745 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8315    2.9425    0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2688    4.1283   -0.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0599    5.2627   -0.4270 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9438    4.1646   -0.6903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1668    3.0065   -0.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0863    3.0295   -0.9229 O   0  0  0  0  0  3  0  0  0  0  0  0
   -1.9080    1.9615   -0.8671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2856    2.1635   -1.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3026    1.2593   -1.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5974    1.5581   -1.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9115    2.8019   -2.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2312    3.0502   -2.5851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9068    3.7237   -2.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1568    4.9832   -2.7450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6257    3.4045   -1.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9132   -2.6932   -1.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0981   -2.3148   -2.1237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2941   -2.8608   -1.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083   -1.7844   -2.4397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3247   -3.0250   -0.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5812   -4.3870   -0.2654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5546   -2.5573    2.8021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5852   -3.5783    1.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8050   -3.9585    1.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6737   -1.3526    0.8223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8824   -1.6549    0.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3980   -0.2066    0.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5252    1.0921    0.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1309   -0.8381   -0.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4805   -3.1599   -0.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1547   -3.0878    1.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5105   -3.4618    0.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4998    0.6189    1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1673   -0.5976    1.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6405    0.6497    3.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5604   -1.6518    3.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4040    0.4473    3.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6796   -1.5286    3.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8698    2.8686    0.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1724    5.9153    0.3515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4369    5.0503   -1.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1061    0.2906   -0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3945    0.8319   -1.5811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5556    3.9097   -2.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0807    5.2044   -3.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8677    4.1628   -1.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5864   -3.6817   -0.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4324   -1.6459   -1.8764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3121   -3.7621   -2.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8059   -1.2315   -2.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3028   -2.6532   -0.9568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6955   -4.8429   -0.4211 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  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
  9 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  2  0
  4 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41  2  1  0
 28  6  1  0
 36 29  1  0
 26  8  1  0
 20 11  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  2 46  1  0
  4 47  1  0
  7 48  1  0
 11 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 16 54  1  0
 17 55  1  0
 18 56  1  0
 19 57  1  0
 20 58  1  0
 21 59  1  0
 22 60  1  0
 24 61  1  0
 25 62  1  0
 30 63  1  0
 31 64  1  0
 33 65  1  0
 35 66  1  0
 36 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
M  CHG  1  27   1
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Cyanidin 3-rhamnoside-5-glucoside	HMDB
Cyanidin 5-glucoside 3-rhamnoside	HMDB

Chemical Formula

C₂₇H₃₁O₁₅

Average Molecular Weight

595.526

Monoisotopic Molecular Weight

595.166295322

IUPAC Name

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

Traditional Name

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

CAS Registry Number

53859-12-4

SMILES

CC1OC(OC2=C([O+]=C3C=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(38-9)41-17-7-12-15(39-25(17)10-2-3-13(30)14(31)4-10)5-11(29)6-16(12)40-27-24(37)22(35)20(33)18(8-28)42-27/h2-7,9,18-24,26-28,32-37H,8H2,1H3,(H2-,29,30,31)/p+1

InChI Key

MVXCPXSXBRABAU-UHFFFAOYSA-O

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anthocyanidin-5-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Anthocyanidin-5-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: HMDB0037993)
Cytoplasm (HMDB: HMDB0037993)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037993)

Source

Exogenous

Food

Food (HMDB: HMDB0037993)

Pulse

Pea

Common pea (FooDB: FOOD00141)

Endogenous

Plant

Plant (HMDB: HMDB0037993)
Fabaceae (HMDB: HMDB0037993)

Not Available

Nutrient (HMDB: HMDB0037993)

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	0.93 g/L	ALOGPS
logP	0.43	ALOGPS
logP	-1.2	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	6.65	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	252.36 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	146.86 m³·mol⁻¹	ChemAxon
Polarizability	56.87 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]+	231.944	30932474
DeepCCS	[M-H]-	229.939	30932474
DeepCCS	[M-2H]-	263.179	30932474
DeepCCS	[M+Na]+	237.857	30932474
AllCCS	[M+H]+	230.8	32859911
AllCCS	[M+H-H2O]+	229.5	32859911
AllCCS	[M+NH4]+	232.0	32859911
AllCCS	[M+Na]+	232.3	32859911
AllCCS	[M-H]-	225.7	32859911
AllCCS	[M+Na-2H]-	227.7	32859911
AllCCS	[M+HCOO]-	230.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Cyanidin 3-rhamnoside 5-glucoside	CC1OC(OC2=C([O+]=C3C=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	6064.1	Standard polar	33892256
Cyanidin 3-rhamnoside 5-glucoside	CC1OC(OC2=C([O+]=C3C=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	5462.3	Standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside	CC1OC(OC2=C([O+]=C3C=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	5645.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Cyanidin 3-rhamnoside 5-glucoside,1TMS,isomer #1	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5468.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,1TMS,isomer #10	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5410.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,1TMS,isomer #2	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5375.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,1TMS,isomer #3	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5414.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,1TMS,isomer #4	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5405.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,1TMS,isomer #5	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5415.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,1TMS,isomer #6	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5477.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,1TMS,isomer #7	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	5468.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,1TMS,isomer #8	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5417.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,1TMS,isomer #9	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5403.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #1	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5287.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #10	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5269.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #11	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5253.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #12	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5283.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #13	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	5281.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #14	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5282.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #15	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5272.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #16	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5249.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #17	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5259.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #18	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5278.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #19	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5279.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #2	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5303.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #20	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	5285.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #21	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5285.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #22	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5280.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #23	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5259.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #24	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5276.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #25	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5302.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #26	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	5252.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #27	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5251.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #28	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5271.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #29	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5241.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #3	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5278.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #30	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5266.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #31	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	5294.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #32	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5294.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #33	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5296.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #34	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5271.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #35	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5288.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #36	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5307.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #37	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	5294.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #38	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	5251.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #39	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	5295.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #4	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5313.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #40	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5292.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #41	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5252.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #42	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5294.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #43	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5295.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #44	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5284.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #45	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5273.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #5	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	5298.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #6	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5310.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #7	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5313.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #8	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5278.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TMS,isomer #9	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5314.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #1	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5130.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #10	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5128.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #100	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5080.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #101	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5165.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #102	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5132.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #103	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5070.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #104	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5129.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #105	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	5122.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #106	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	5060.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #107	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	5118.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #108	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5169.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #109	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5158.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #11	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	5087.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #110	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5116.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #111	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	5160.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #112	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	5103.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #113	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	5160.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #114	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5109.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #115	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5108.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #116	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5061.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #117	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5117.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #118	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5114.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #119	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5070.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #12	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5083.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #120	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5145.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #13	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5144.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #14	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5097.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #15	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5143.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #16	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5141.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #17	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	5032.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #18	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5025.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #19	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5100.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #2	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5098.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #20	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5051.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #21	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5104.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #22	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	5092.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #23	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5089.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #24	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5155.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #25	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5105.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #26	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5150.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #27	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5127.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #28	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5087.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #29	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5027.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #3	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5150.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #30	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5094.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #31	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	5084.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #32	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	5020.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #33	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	5090.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #34	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5132.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #35	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5130.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #36	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5095.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #37	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5123.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #38	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5186.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #39	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	5116.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #4	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	5063.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #40	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5108.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #41	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5168.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #42	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5124.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #43	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5154.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #44	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5162.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #45	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	5073.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #46	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5063.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #47	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5134.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #48	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5093.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #49	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5126.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #5	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5062.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #50	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	5138.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #51	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5129.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #52	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5183.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #53	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5144.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #54	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5172.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #55	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5129.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #56	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5108.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #57	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5050.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #58	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5107.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #59	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	5096.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #6	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5130.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #60	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	5038.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #61	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	5094.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #62	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5142.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #63	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5134.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #64	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5100.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #65	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5181.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #66	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	5081.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #67	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5073.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #68	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5130.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #69	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5093.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #7	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5079.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #70	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5122.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #71	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	5112.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #72	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5103.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #73	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5153.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #74	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5115.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #75	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5142.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #76	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5156.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #77	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5120.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #78	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5063.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #79	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5118.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #8	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5123.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #80	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	5110.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #81	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	5051.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #82	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	5108.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #83	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5160.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #84	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5147.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #85	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5109.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #86	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	5125.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #87	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5115.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #88	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5174.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #89	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5134.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #9	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5103.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #90	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5163.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #91	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5106.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #92	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5066.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #93	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5007.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #94	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5069.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #95	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	5057.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #96	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4994.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #97	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	5057.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #98	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5126.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,3TMS,isomer #99	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5120.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #1	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	4972.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #10	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4865.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #100	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4924.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #101	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4860.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #102	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4926.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #103	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4986.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #104	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4995.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #105	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4972.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #106	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	4944.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #107	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4938.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #108	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5027.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #109	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	4977.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #11	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	4956.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #110	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5020.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #111	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4914.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #112	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	4891.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #113	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	4829.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #114	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	4896.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #115	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4881.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #116	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4818.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #117	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4888.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #118	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4952.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #119	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4961.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #12	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	4894.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #120	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4940.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #121	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4976.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #122	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	4956.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #123	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	4891.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #124	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	4959.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #125	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4945.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #126	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4881.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #127	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4946.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #128	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5013.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #129	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5021.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #13	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	4959.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #130	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5001.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #131	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4942.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #132	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4878.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #133	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4942.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #134	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4893.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #135	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4907.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #136	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4888.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #137	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4883.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #138	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4894.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #139	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4877.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #14	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	4944.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #140	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4995.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #141	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	4948.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #142	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4936.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #143	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5020.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #144	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	4977.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #145	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5013.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #146	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4938.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #147	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	4903.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #148	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	4845.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #149	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	4910.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #15	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4937.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #150	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4893.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #151	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4834.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #152	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4899.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #153	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4964.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #154	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4972.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #155	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4946.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #156	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4961.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #157	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	4927.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #158	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	4871.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #159	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	4931.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #16	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5026.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #160	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4917.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #161	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4859.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #162	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4919.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #163	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4988.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #164	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4995.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #165	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4972.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #166	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4965.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #167	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4908.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #168	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4968.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #169	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4914.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #17	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	4960.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #170	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4920.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #171	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4900.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #172	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4902.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #173	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4908.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #174	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4889.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #175	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5008.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #176	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4962.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #177	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	4925.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #178	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	4868.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #179	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	4931.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #18	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5020.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #180	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4913.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #181	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4855.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #182	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4918.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #183	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4992.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #184	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4999.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #185	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4977.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #186	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4916.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #187	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4852.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #188	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4920.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #189	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4864.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #19	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4932.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #190	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4875.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #191	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4851.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #192	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4852.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #193	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4865.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #194	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4842.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #195	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4981.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #196	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4980.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #197	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4915.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #198	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4978.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #199	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4921.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #2	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5037.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #20	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	4905.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #200	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4933.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #201	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4911.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #202	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4909.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #203	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4921.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #204	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4901.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #205	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5023.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #206	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4952.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #207	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4960.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #208	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4939.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #209	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4941.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #21	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	4833.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #210	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4951.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #22	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	4912.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #23	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4897.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #24	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4827.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #25	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4905.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #26	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4958.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #27	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4970.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #28	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4943.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #29	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5004.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #3	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	4918.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #30	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	4889.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #31	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4884.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #32	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	4964.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #33	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	4905.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #34	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	4964.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #35	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	4917.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #36	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4910.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #37	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	4995.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #38	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	4933.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #39	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	4992.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #4	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4912.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #40	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4963.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #41	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	4924.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #42	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	4856.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #43	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	4936.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #44	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4918.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #45	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4852.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #46	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4929.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #47	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4975.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #48	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4985.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #49	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4957.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #5	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	4994.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #50	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	4912.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #51	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4905.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #52	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	4991.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #53	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	4933.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #54	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	4992.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #55	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4900.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #56	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	4862.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #57	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	4799.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #58	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	4868.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #59	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4857.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #6	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	4932.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #60	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4801.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #61	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4864.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #62	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4926.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #63	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4938.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #64	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4911.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #65	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4969.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #66	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	4930.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #67	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	4860.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #68	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	4937.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #69	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4925.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #7	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	4990.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #70	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4856.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #71	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4931.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #72	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4990.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #73	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5007.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #74	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4972.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #75	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	4964.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #76	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	4897.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #77	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	4970.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #78	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4905.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #79	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4919.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #8	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5002.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #80	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4888.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #81	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4898.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #82	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4912.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #83	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4884.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #84	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5003.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #85	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5071.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #86	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	4920.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #87	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4918.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #88	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5002.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #89	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	4953.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #9	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	4869.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #90	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	4996.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #91	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O	4972.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #92	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4970.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #93	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	5053.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #94	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	5003.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #95	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	5042.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #96	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4950.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #97	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O	4933.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #98	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O	4871.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,4TMS,isomer #99	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C	4936.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,1TBDMS,isomer #1	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5657.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,1TBDMS,isomer #10	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5648.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,1TBDMS,isomer #2	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5581.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,1TBDMS,isomer #3	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5643.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,1TBDMS,isomer #4	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5630.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,1TBDMS,isomer #5	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5639.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,1TBDMS,isomer #6	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O	5650.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,1TBDMS,isomer #7	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O)C1O	5646.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,1TBDMS,isomer #8	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5639.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,1TBDMS,isomer #9	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5632.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #1	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5688.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #10	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5646.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #11	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5656.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #12	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5670.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #13	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O)C1O	5681.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #14	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O	5667.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #15	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5652.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #16	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5632.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #17	CC1OC(OC2=CC3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5657.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #18	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5654.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #19	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5671.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #2	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5714.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #20	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O)C1O	5688.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #21	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O	5677.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #22	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5668.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #23	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5649.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #24	CC1OC(OC2=CC3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5677.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #25	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5680.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #26	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O)C1O	5670.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #27	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O	5658.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #28	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5649.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #29	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5626.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #3	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5691.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #30	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5658.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #31	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O)C1O	5686.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #32	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O	5676.2	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #33	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5681.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #34	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5655.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #35	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5684.3	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #36	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O	5714.7	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #37	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5675.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #38	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5661.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #39	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5694.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #4	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	5715.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #40	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5683.9	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #41	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5671.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #42	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5704.0	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #43	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	5673.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #44	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	5681.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #45	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5665.5	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #5	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O)C1O	5731.1	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #6	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O	5726.6	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #7	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5710.8	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #8	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5694.4	Semi standard non polar	33892256
Cyanidin 3-rhamnoside 5-glucoside,2TBDMS,isomer #9	CC1OC(OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5726.0	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-rhamnoside 5-glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0fir-7400190000-c8539ecf38cb9f14082c	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3-rhamnoside 5-glucoside GC-MS (1 TMS) - 70eV, Positive	splash10-0uka-8500039000-93724dd6630b373ee0f0	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3-rhamnoside 5-glucoside GC-MS ("Cyanidin 3-rhamnoside 5-glucoside,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3-rhamnoside 5-glucoside 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-rhamnoside 5-glucoside 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-rhamnoside 5-glucoside 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-rhamnoside 5-glucoside 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-rhamnoside 5-glucoside 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-rhamnoside 5-glucoside 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-rhamnoside 5-glucoside 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-rhamnoside 5-glucoside 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-rhamnoside 5-glucoside 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-rhamnoside 5-glucoside 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-rhamnoside 5-glucoside 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-rhamnoside 5-glucoside 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-rhamnoside 5-glucoside 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-rhamnoside 5-glucoside 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-rhamnoside 5-glucoside 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-rhamnoside 5-glucoside 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-rhamnoside 5-glucoside 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-rhamnoside 5-glucoside 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-rhamnoside 5-glucoside 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-rhamnoside 5-glucoside 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-rhamnoside 5-glucoside 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-rhamnoside 5-glucoside 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-rhamnoside 5-glucoside 10V, Positive-QTOF	splash10-0002-1200090000-db0ff8760082863d55ae	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3-rhamnoside 5-glucoside 20V, Positive-QTOF	splash10-002g-1600090000-73009163c4aeef65c3f4	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3-rhamnoside 5-glucoside 40V, Positive-QTOF	splash10-01p2-8900010000-ddd7e12d033924f2e511	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3-rhamnoside 5-glucoside 10V, Negative-QTOF	splash10-0006-3400090000-e027a8a294d219d81b2d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3-rhamnoside 5-glucoside 20V, Negative-QTOF	splash10-01ox-7900060000-b178a28bc2fe16f8aaa5	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3-rhamnoside 5-glucoside 40V, Negative-QTOF	splash10-0abc-9100000000-c0db2d570467229cd80d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3-rhamnoside 5-glucoside 10V, Positive-QTOF	splash10-000b-0130960000-3d07c78569dfbb237321	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3-rhamnoside 5-glucoside 20V, Positive-QTOF	splash10-000i-0072970000-cac705e672f2586db2c6	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3-rhamnoside 5-glucoside 40V, Positive-QTOF	splash10-0abi-9621510000-ea0ae298843a7d4546af	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

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

FDB017187

KNApSAcK ID

C00006665

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

131752266

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-rhamnoside 5-glucoside (HMDB0037993)

MOL for HMDB0037993 (Cyanidin 3-rhamnoside 5-glucoside)

3D MOL for HMDB0037993 (Cyanidin 3-rhamnoside 5-glucoside)

3D SDF for HMDB0037993 (Cyanidin 3-rhamnoside 5-glucoside)

3D-SDF for HMDB0037993 (Cyanidin 3-rhamnoside 5-glucoside)

PDB for HMDB0037993 (Cyanidin 3-rhamnoside 5-glucoside)

3D PDB for HMDB0037993 (Cyanidin 3-rhamnoside 5-glucoside)

SMILES for HMDB0037993 (Cyanidin 3-rhamnoside 5-glucoside)

INCHI for HMDB0037993 (Cyanidin 3-rhamnoside 5-glucoside)

Structure for HMDB0037993 (Cyanidin 3-rhamnoside 5-glucoside)

3D Structure for HMDB0037993 (Cyanidin 3-rhamnoside 5-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra