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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 03:17:16 UTC

Update Date

2022-03-07 02:57:05 UTC

HMDB ID

HMDB0041594

Secondary Accession Numbers

HMDB41594

Metabolite Identification

Common Name

Delphinidin 3-glucosylglucoside

Description

Delphinidin 3-glucosylglucoside belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Delphinidin 3-glucosylglucoside is found, on average, in the highest concentration within garden onion (var.). Delphinidin 3-glucosylglucoside has also been detected, but not quantified in, blackcurrants (Ribes nigrum) and flaxseeds (Linum usitatissimum). This could make delphinidin 3-glucosylglucoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Delphinidin 3-glucosylglucoside.

Structure

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

Delphinidin 3-O-glucosyl-glucoside
  Mrv1652309231718192D          

 44 48  0  0  1  0            999 V2000
   -3.5724    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.9499    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   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
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2374    0.0000 C   0  0  2  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
    0.7145    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289    2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4749    0.0000 C   0  0  2  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    3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8579    2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    3.7125    0.0000 C   0  0  1  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
   -3.5724    4.5375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2868    4.9499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 12 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 24 32  1  0  0  0  0
 10 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
 35 36  1  6  0  0  0
 35 37  1  0  0  0  0
  8 37  1  0  0  0  0
 37 38  1  1  0  0  0
  5 39  1  0  0  0  0
 39 40  1  6  0  0  0
 39 41  1  0  0  0  0
 41 42  1  1  0  0  0
 41 43  1  0  0  0  0
  3 43  1  0  0  0  0
 43 44  1  6  0  0  0
M  CHG  1  22   1
M  END

HMDB0041594
     RDKit          3D
Delphinidin 3-glucosylglucoside
 75 79  0  0  0  0  0  0  0  0999 V2000
    8.7876   -1.6098   -0.5939 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4154   -1.7652   -0.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8326   -0.4141   -1.0843 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4775   -0.4130   -1.2316 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7307    0.0216   -0.1612 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5638   -0.7246   -0.0235 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4759    0.1045   -0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1629   -0.6901   -0.1293 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1273    0.1836   -0.3756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0825   -0.5447   -0.3816 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1853    0.1493   -0.3708 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2968    0.7992   -0.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4881    1.7783   -1.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6167    2.5370   -1.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8233    3.4927   -2.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8383    3.6763   -3.3360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9779    4.2415   -2.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9601    4.0480   -1.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0980    4.8346   -1.5583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7291    3.1076   -0.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5832    2.3328   -0.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3845    1.4439    0.4843 O   0  0  0  0  0  3  0  0  0  0  0  0
   -4.3054    0.6691    0.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3080   -0.2828    1.7462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2243   -0.8619    2.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3687   -1.8267    3.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2227   -2.3882    3.8729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5925   -2.2332    3.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7178   -3.1883    4.7963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6916   -1.6377    3.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9419   -2.0394    3.6792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5653   -0.6967    2.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0046   -1.3184   -1.7299 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2596   -1.8088   -2.0559 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0091   -2.4000   -1.5887 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2855   -2.9555   -2.8556 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2867   -1.8337   -1.0774 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9633   -2.8775   -0.4061 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4761    0.1037    1.1431 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6121    0.7632    2.0519 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7090    0.9399    1.0456 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5625    0.6389    2.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3906    0.7151   -0.2567 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3508    1.9243   -0.9886 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1319   -1.2121   -1.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9453   -2.2426    0.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2588   -2.4615   -1.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2480   -0.2266   -2.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4225    1.0702   -0.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5813    0.5006   -1.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4728    0.9610    0.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1622   -1.0741    0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8980   -1.3573    0.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7338    1.9384   -2.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9820    4.3665   -4.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1173    4.9888   -3.2139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9158    4.5823   -2.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4870    2.9416    0.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2562   -0.5421    2.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2457   -3.0727    4.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6652   -3.4414    5.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7491   -1.6174    3.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4456   -0.2571    1.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6478   -0.5886   -2.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6535   -1.3463   -2.8409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3167   -3.2165   -0.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5061   -3.4226   -3.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9789   -1.5782   -1.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4176   -3.1690    0.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6360   -0.8962    1.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0276    0.8109    2.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3940    2.0188    1.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3289    1.2854    2.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4723    0.5492   -0.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1885    1.7138   -1.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  2  0
 10 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
  5 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 43  3  1  0
 37  8  1  0
 23 12  1  0
 32 24  1  0
 21 14  1  0
  1 45  1  0
  2 46  1  0
  2 47  1  0
  3 48  1  6
  5 49  1  6
  7 50  1  0
  7 51  1  0
  8 52  1  1
 10 53  1  1
 13 54  1  0
 16 55  1  0
 17 56  1  0
 19 57  1  0
 20 58  1  0
 25 59  1  0
 27 60  1  0
 29 61  1  0
 31 62  1  0
 32 63  1  0
 33 64  1  6
 34 65  1  0
 35 66  1  1
 36 67  1  0
 37 68  1  6
 38 69  1  0
 39 70  1  1
 40 71  1  0
 41 72  1  1
 42 73  1  0
 43 74  1  1
 44 75  1  0
M  CHG  1  22   1
M  END

Delphinidin 3-O-glucosyl-glucoside
  Mrv1652309231718192D          

 44 48  0  0  1  0            999 V2000
   -3.5724    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.9499    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   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
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2374    0.0000 C   0  0  2  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
    0.7145    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289    2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4749    0.0000 C   0  0  2  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    3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8579    2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    3.7125    0.0000 C   0  0  1  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
   -3.5724    4.5375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2868    4.9499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 12 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 24 32  1  0  0  0  0
 10 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
 35 36  1  6  0  0  0
 35 37  1  0  0  0  0
  8 37  1  0  0  0  0
 37 38  1  1  0  0  0
  5 39  1  0  0  0  0
 39 40  1  6  0  0  0
 39 41  1  0  0  0  0
 41 42  1  1  0  0  0
 41 43  1  0  0  0  0
  3 43  1  0  0  0  0
 43 44  1  6  0  0  0
M  CHG  1  22   1
M  END
> <DATABASE_ID>
HMDB0041594

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-7-17-20(35)22(37)24(39)27(44-17)42-15-5-10-11(30)3-9(29)4-14(10)41-25(15)8-1-12(31)18(33)13(32)2-8/h1-5,16-17,19-24,26-28,34-39H,6-7H2,(H4-,29,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1

> <INCHI_KEY>
WIIMVXRNTVGXEQ-LCENJUANSA-O

> <FORMULA>
C27H31O17

> <MOLECULAR_WEIGHT>
627.5248

> <EXACT_MASS>
627.156124566

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
59.22542360491375

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
12

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium

> <ALOGPS_LOGP>
0.05

> <JCHEM_LOGP>
-2.014100000000001

> <ALOGPS_LOGS>
-2.58

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.2935299560002225

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.366609429996292

> <JCHEM_PKA_STRONGEST_BASIC>
-3.678957597563974

> <JCHEM_POLAR_SURFACE_AREA>
292.81999999999994

> <JCHEM_REFRACTIVITY>
150.65170000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.76e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0041594
     RDKit          3D
Delphinidin 3-glucosylglucoside
 75 79  0  0  0  0  0  0  0  0999 V2000
    8.7876   -1.6098   -0.5939 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4154   -1.7652   -0.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8326   -0.4141   -1.0843 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4775   -0.4130   -1.2316 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7307    0.0216   -0.1612 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5638   -0.7246   -0.0235 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4759    0.1045   -0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1629   -0.6901   -0.1293 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1273    0.1836   -0.3756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0825   -0.5447   -0.3816 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1853    0.1493   -0.3708 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2968    0.7992   -0.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4881    1.7783   -1.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6167    2.5370   -1.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8233    3.4927   -2.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8383    3.6763   -3.3360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9779    4.2415   -2.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9601    4.0480   -1.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0980    4.8346   -1.5583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7291    3.1076   -0.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5832    2.3328   -0.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3845    1.4439    0.4843 O   0  0  0  0  0  3  0  0  0  0  0  0
   -4.3054    0.6691    0.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3080   -0.2828    1.7462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2243   -0.8619    2.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3687   -1.8267    3.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2227   -2.3882    3.8729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5925   -2.2332    3.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7178   -3.1883    4.7963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6916   -1.6377    3.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9419   -2.0394    3.6792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5653   -0.6967    2.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0046   -1.3184   -1.7299 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2596   -1.8088   -2.0559 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0091   -2.4000   -1.5887 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2855   -2.9555   -2.8556 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2867   -1.8337   -1.0774 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9633   -2.8775   -0.4061 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4761    0.1037    1.1431 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6121    0.7632    2.0519 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7090    0.9399    1.0456 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5625    0.6389    2.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3906    0.7151   -0.2567 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3508    1.9243   -0.9886 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1319   -1.2121   -1.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9453   -2.2426    0.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2588   -2.4615   -1.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2480   -0.2266   -2.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4225    1.0702   -0.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5813    0.5006   -1.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4728    0.9610    0.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1622   -1.0741    0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8980   -1.3573    0.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7338    1.9384   -2.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9820    4.3665   -4.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1173    4.9888   -3.2139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9158    4.5823   -2.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4870    2.9416    0.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2562   -0.5421    2.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2457   -3.0727    4.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6652   -3.4414    5.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7491   -1.6174    3.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4456   -0.2571    1.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6478   -0.5886   -2.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6535   -1.3463   -2.8409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3167   -3.2165   -0.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5061   -3.4226   -3.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9789   -1.5782   -1.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4176   -3.1690    0.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6360   -0.8962    1.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0276    0.8109    2.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3940    2.0188    1.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3289    1.2854    2.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4723    0.5492   -0.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1885    1.7138   -1.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  2  0
 10 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
  5 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 43  3  1  0
 37  8  1  0
 23 12  1  0
 32 24  1  0
 21 14  1  0
  1 45  1  0
  2 46  1  0
  2 47  1  0
  3 48  1  6
  5 49  1  6
  7 50  1  0
  7 51  1  0
  8 52  1  1
 10 53  1  1
 13 54  1  0
 16 55  1  0
 17 56  1  0
 19 57  1  0
 20 58  1  0
 25 59  1  0
 27 60  1  0
 29 61  1  0
 31 62  1  0
 32 63  1  0
 33 64  1  6
 34 65  1  0
 35 66  1  1
 36 67  1  0
 37 68  1  6
 38 69  1  0
 39 70  1  1
 40 71  1  0
 41 72  1  1
 42 73  1  0
 43 74  1  1
 44 75  1  0
M  CHG  1  22   1
M  END

HEADER    PROTEIN                                 23-SEP-17   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Delphinidin 3-O-glucosyl-glucoside                
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-SEP-17         0                                  
HETATM    1  O   UNK     0      -6.668  11.550   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -5.335  10.780   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.335   9.240   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -4.001   8.470   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -2.667   6.160   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+1
HETATM   23  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       2.667   4.620   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       0.000   6.160   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -5.335   6.160   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -5.335   4.620   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      -6.668   6.930   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      -8.002   6.160   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      -6.668   8.470   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -8.002   9.240   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   43                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   39                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   37                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   33                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   23                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   21                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   14   22                                                  
CONECT   22   21   23                                                       
CONECT   23   22   12   24                                                  
CONECT   24   23   25   32                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   24                                                       
CONECT   33   10   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35    8   38                                                  
CONECT   38   37                                                            
CONECT   39    5   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41    3   44                                                  
CONECT   44   43                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

COMPND    HMDB0041594
HETATM    1  O1  UNL     1       8.788  -1.610  -0.594  1.00  0.00           O  
HETATM    2  C1  UNL     1       7.415  -1.765  -0.709  1.00  0.00           C  
HETATM    3  C2  UNL     1       6.833  -0.414  -1.084  1.00  0.00           C  
HETATM    4  O2  UNL     1       5.477  -0.413  -1.232  1.00  0.00           O  
HETATM    5  C3  UNL     1       4.731   0.022  -0.161  1.00  0.00           C  
HETATM    6  O3  UNL     1       3.564  -0.725  -0.024  1.00  0.00           O  
HETATM    7  C4  UNL     1       2.476   0.104  -0.256  1.00  0.00           C  
HETATM    8  C5  UNL     1       1.163  -0.690  -0.129  1.00  0.00           C  
HETATM    9  O4  UNL     1       0.127   0.184  -0.376  1.00  0.00           O  
HETATM   10  C6  UNL     1      -1.082  -0.545  -0.382  1.00  0.00           C  
HETATM   11  O5  UNL     1      -2.185   0.149  -0.371  1.00  0.00           O  
HETATM   12  C7  UNL     1      -3.297   0.799  -0.299  1.00  0.00           C  
HETATM   13  C8  UNL     1      -3.488   1.778  -1.327  1.00  0.00           C  
HETATM   14  C9  UNL     1      -4.617   2.537  -1.395  1.00  0.00           C  
HETATM   15  C10 UNL     1      -4.823   3.493  -2.385  1.00  0.00           C  
HETATM   16  O6  UNL     1      -3.838   3.676  -3.336  1.00  0.00           O  
HETATM   17  C11 UNL     1      -5.978   4.241  -2.423  1.00  0.00           C  
HETATM   18  C12 UNL     1      -6.960   4.048  -1.462  1.00  0.00           C  
HETATM   19  O7  UNL     1      -8.098   4.835  -1.558  1.00  0.00           O  
HETATM   20  C13 UNL     1      -6.729   3.108  -0.508  1.00  0.00           C  
HETATM   21  C14 UNL     1      -5.583   2.333  -0.432  1.00  0.00           C  
HETATM   22  O8  UNL     1      -5.384   1.444   0.484  1.00  0.00           O1+
HETATM   23  C15 UNL     1      -4.305   0.669   0.611  1.00  0.00           C  
HETATM   24  C16 UNL     1      -4.308  -0.283   1.746  1.00  0.00           C  
HETATM   25  C17 UNL     1      -3.224  -0.862   2.315  1.00  0.00           C  
HETATM   26  C18 UNL     1      -3.369  -1.827   3.327  1.00  0.00           C  
HETATM   27  O9  UNL     1      -2.223  -2.388   3.873  1.00  0.00           O  
HETATM   28  C19 UNL     1      -4.592  -2.233   3.795  1.00  0.00           C  
HETATM   29  O10 UNL     1      -4.718  -3.188   4.796  1.00  0.00           O  
HETATM   30  C20 UNL     1      -5.692  -1.638   3.213  1.00  0.00           C  
HETATM   31  O11 UNL     1      -6.942  -2.039   3.679  1.00  0.00           O  
HETATM   32  C21 UNL     1      -5.565  -0.697   2.225  1.00  0.00           C  
HETATM   33  C22 UNL     1      -1.005  -1.318  -1.730  1.00  0.00           C  
HETATM   34  O12 UNL     1      -2.260  -1.809  -2.056  1.00  0.00           O  
HETATM   35  C23 UNL     1       0.009  -2.400  -1.589  1.00  0.00           C  
HETATM   36  O13 UNL     1       0.285  -2.956  -2.856  1.00  0.00           O  
HETATM   37  C24 UNL     1       1.287  -1.834  -1.077  1.00  0.00           C  
HETATM   38  O14 UNL     1       1.963  -2.878  -0.406  1.00  0.00           O  
HETATM   39  C25 UNL     1       5.476   0.104   1.143  1.00  0.00           C  
HETATM   40  O15 UNL     1       4.612   0.763   2.052  1.00  0.00           O  
HETATM   41  C26 UNL     1       6.709   0.940   1.046  1.00  0.00           C  
HETATM   42  O16 UNL     1       7.563   0.639   2.121  1.00  0.00           O  
HETATM   43  C27 UNL     1       7.391   0.715  -0.257  1.00  0.00           C  
HETATM   44  O17 UNL     1       7.351   1.924  -0.989  1.00  0.00           O  
HETATM   45  H1  UNL     1       9.132  -1.212  -1.431  1.00  0.00           H  
HETATM   46  H2  UNL     1       6.945  -2.243   0.146  1.00  0.00           H  
HETATM   47  H3  UNL     1       7.259  -2.462  -1.582  1.00  0.00           H  
HETATM   48  H4  UNL     1       7.248  -0.227  -2.128  1.00  0.00           H  
HETATM   49  H5  UNL     1       4.423   1.070  -0.413  1.00  0.00           H  
HETATM   50  H6  UNL     1       2.581   0.501  -1.291  1.00  0.00           H  
HETATM   51  H7  UNL     1       2.473   0.961   0.425  1.00  0.00           H  
HETATM   52  H8  UNL     1       1.162  -1.074   0.920  1.00  0.00           H  
HETATM   53  H9  UNL     1      -0.898  -1.357   0.364  1.00  0.00           H  
HETATM   54  H10 UNL     1      -2.734   1.938  -2.078  1.00  0.00           H  
HETATM   55  H11 UNL     1      -3.982   4.367  -4.055  1.00  0.00           H  
HETATM   56  H12 UNL     1      -6.117   4.989  -3.214  1.00  0.00           H  
HETATM   57  H13 UNL     1      -8.916   4.582  -2.075  1.00  0.00           H  
HETATM   58  H14 UNL     1      -7.487   2.942   0.252  1.00  0.00           H  
HETATM   59  H15 UNL     1      -2.256  -0.542   2.013  1.00  0.00           H  
HETATM   60  H16 UNL     1      -2.246  -3.073   4.588  1.00  0.00           H  
HETATM   61  H17 UNL     1      -5.665  -3.441   5.093  1.00  0.00           H  
HETATM   62  H18 UNL     1      -7.749  -1.617   3.267  1.00  0.00           H  
HETATM   63  H19 UNL     1      -6.446  -0.257   1.797  1.00  0.00           H  
HETATM   64  H20 UNL     1      -0.648  -0.589  -2.471  1.00  0.00           H  
HETATM   65  H21 UNL     1      -2.653  -1.346  -2.841  1.00  0.00           H  
HETATM   66  H22 UNL     1      -0.317  -3.217  -0.911  1.00  0.00           H  
HETATM   67  H23 UNL     1      -0.506  -3.423  -3.222  1.00  0.00           H  
HETATM   68  H24 UNL     1       1.979  -1.578  -1.933  1.00  0.00           H  
HETATM   69  H25 UNL     1       1.418  -3.169   0.366  1.00  0.00           H  
HETATM   70  H26 UNL     1       5.636  -0.896   1.609  1.00  0.00           H  
HETATM   71  H27 UNL     1       5.028   0.811   2.950  1.00  0.00           H  
HETATM   72  H28 UNL     1       6.394   2.019   1.169  1.00  0.00           H  
HETATM   73  H29 UNL     1       8.329   1.285   2.086  1.00  0.00           H  
HETATM   74  H30 UNL     1       8.472   0.549  -0.058  1.00  0.00           H  
HETATM   75  H31 UNL     1       7.189   1.714  -1.930  1.00  0.00           H  
CONECT    1    2   45
CONECT    2    3   46   47
CONECT    3    4   43   48
CONECT    4    5
CONECT    5    6   39   49
CONECT    6    7
CONECT    7    8   50   51
CONECT    8    9   37   52
CONECT    9   10
CONECT   10   11   33   53
CONECT   11   12
CONECT   12   13   13   23
CONECT   13   14   54
CONECT   14   15   15   21
CONECT   15   16   17
CONECT   16   55
CONECT   17   18   18   56
CONECT   18   19   20
CONECT   19   57
CONECT   20   21   21   58
CONECT   21   22
CONECT   22   23   23
CONECT   23   24
CONECT   24   25   25   32
CONECT   25   26   59
CONECT   26   27   28   28
CONECT   27   60
CONECT   28   29   30
CONECT   29   61
CONECT   30   31   32   32
CONECT   31   62
CONECT   32   63
CONECT   33   34   35   64
CONECT   34   65
CONECT   35   36   37   66
CONECT   36   67
CONECT   37   38   68
CONECT   38   69
CONECT   39   40   41   70
CONECT   40   71
CONECT   41   42   43   72
CONECT   42   73
CONECT   43   44   74
CONECT   44   75
END

HMDB0041594
     RDKit          3D
Delphinidin 3-glucosylglucoside
 75 79  0  0  0  0  0  0  0  0999 V2000
    8.7876   -1.6098   -0.5939 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4154   -1.7652   -0.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8326   -0.4141   -1.0843 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4775   -0.4130   -1.2316 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7307    0.0216   -0.1612 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5638   -0.7246   -0.0235 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4759    0.1045   -0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1629   -0.6901   -0.1293 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1273    0.1836   -0.3756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0825   -0.5447   -0.3816 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1853    0.1493   -0.3708 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2968    0.7992   -0.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4881    1.7783   -1.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6167    2.5370   -1.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8233    3.4927   -2.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8383    3.6763   -3.3360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9779    4.2415   -2.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9601    4.0480   -1.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0980    4.8346   -1.5583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7291    3.1076   -0.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5832    2.3328   -0.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3845    1.4439    0.4843 O   0  0  0  0  0  3  0  0  0  0  0  0
   -4.3054    0.6691    0.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3080   -0.2828    1.7462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2243   -0.8619    2.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3687   -1.8267    3.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2227   -2.3882    3.8729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5925   -2.2332    3.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7178   -3.1883    4.7963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6916   -1.6377    3.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9419   -2.0394    3.6792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5653   -0.6967    2.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0046   -1.3184   -1.7299 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2596   -1.8088   -2.0559 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0091   -2.4000   -1.5887 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2855   -2.9555   -2.8556 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2867   -1.8337   -1.0774 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9633   -2.8775   -0.4061 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4761    0.1037    1.1431 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6121    0.7632    2.0519 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7090    0.9399    1.0456 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5625    0.6389    2.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3906    0.7151   -0.2567 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3508    1.9243   -0.9886 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1319   -1.2121   -1.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9453   -2.2426    0.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2588   -2.4615   -1.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2480   -0.2266   -2.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4225    1.0702   -0.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5813    0.5006   -1.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4728    0.9610    0.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1622   -1.0741    0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8980   -1.3573    0.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7338    1.9384   -2.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9820    4.3665   -4.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1173    4.9888   -3.2139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9158    4.5823   -2.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4870    2.9416    0.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2562   -0.5421    2.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2457   -3.0727    4.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6652   -3.4414    5.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7491   -1.6174    3.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4456   -0.2571    1.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6478   -0.5886   -2.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6535   -1.3463   -2.8409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3167   -3.2165   -0.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5061   -3.4226   -3.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9789   -1.5782   -1.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4176   -3.1690    0.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6360   -0.8962    1.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0276    0.8109    2.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3940    2.0188    1.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3289    1.2854    2.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4723    0.5492   -0.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1885    1.7138   -1.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  2  0
 10 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
  5 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 43  3  1  0
 37  8  1  0
 23 12  1  0
 32 24  1  0
 21 14  1  0
  1 45  1  0
  2 46  1  0
  2 47  1  0
  3 48  1  6
  5 49  1  6
  7 50  1  0
  7 51  1  0
  8 52  1  1
 10 53  1  1
 13 54  1  0
 16 55  1  0
 17 56  1  0
 19 57  1  0
 20 58  1  0
 25 59  1  0
 27 60  1  0
 29 61  1  0
 31 62  1  0
 32 63  1  0
 33 64  1  6
 34 65  1  0
 35 66  1  1
 36 67  1  0
 37 68  1  6
 38 69  1  0
 39 70  1  1
 40 71  1  0
 41 72  1  1
 42 73  1  0
 43 74  1  1
 44 75  1  0
M  CHG  1  22   1
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
3,3',4',5,5',7-Hexahydroxyflavylium(1+)	HMDB
3-O-[Glucosyl-(1->?)-glucoside]	HMDB
Delphinidin 3-diglucoside	HMDB

Chemical Formula

C₂₇H₃₁O₁₇

Average Molecular Weight

627.5248

Monoisotopic Molecular Weight

627.156124566

IUPAC Name

5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium

Traditional Name

5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium

CAS Registry Number

58213-36-8

SMILES

OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-7-17-20(35)22(37)24(39)27(44-17)42-15-5-10-11(30)3-9(29)4-14(10)41-25(15)8-1-12(31)18(33)13(32)2-8/h1-5,16-17,19-24,26-28,34-39H,6-7H2,(H4-,29,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1

InChI Key

WIIMVXRNTVGXEQ-LCENJUANSA-O

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Anthocyanidin-3-O-glycosides

Alternative Parents

Substituents

Anthocyanidin-3-o-glycoside
Flavonoid-3-o-glycoside
5-hydroxyflavonoid
7-hydroxyflavonoid
4'-hydroxyflavonoid
3'-hydroxyflavonoid
Hydroxyflavonoid
Anthocyanidin
Disaccharide
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
Benzenetriol
Pyrogallol derivative
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Benzenoid
Monocyclic benzene moiety
Oxane
Heteroaromatic compound
Secondary alcohol
Polyol
Organoheterocyclic compound
Oxacycle
Acetal
Primary alcohol
Hydrocarbon derivative
Organic oxygen compound
Alcohol
Organooxygen compound
Organic cation
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0041594)
Cytoplasm (HMDB: HMDB0041594)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0041594)

Source

Exogenous

Food

Food (HMDB: HMDB0041594)

Fruit

Berry

Blackcurrant (FooDB: FOOD00155)

Herb and spice

Oilseed crop

Flaxseed (FooDB: FOOD00101)

Vegetable

Onion-family vegetable

Garden onion (var.) (FooDB: FOOD00226)

Endogenous

Plant

Plant (HMDB: HMDB0041594)

Not Available

Nutrient (HMDB: HMDB0041594)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.54 g/L	ALOGPS
logP	0.05	ALOGPS
logP	-2	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	6.37	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	12	ChemAxon
Polar Surface Area	292.82 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	150.65 m³·mol⁻¹	ChemAxon
Polarizability	59.23 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]+	233.886	30932474
DeepCCS	[M-H]-	231.904	30932474
DeepCCS	[M-2H]-	265.785	30932474
DeepCCS	[M+Na]+	240.026	30932474
AllCCS	[M+H]+	233.6	32859911
AllCCS	[M+H-H2O]+	232.5	32859911
AllCCS	[M+NH4]+	234.6	32859911
AllCCS	[M+Na]+	234.9	32859911
AllCCS	[M-H]-	229.5	32859911
AllCCS	[M+Na-2H]-	231.8	32859911
AllCCS	[M+HCOO]-	234.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Delphinidin 3-glucosylglucoside	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	6926.1	Standard polar	33892256
Delphinidin 3-glucosylglucoside	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5509.1	Standard non polar	33892256
Delphinidin 3-glucosylglucoside	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5805.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Delphinidin 3-glucosylglucoside,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5529.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,1TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	5564.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,1TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	5549.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C12	5600.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,1TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5620.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,1TMS,isomer #4	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O	5577.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,1TMS,isomer #5	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1O	5521.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,1TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5583.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,1TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O	5564.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,1TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O	5584.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,1TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O	5598.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5429.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5435.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #11	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5460.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #12	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O	5414.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #13	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1O	5377.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C12	5431.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C12	5439.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #16	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C=C12	5462.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C=C12	5460.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C=C12	5443.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C=C12	5460.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5443.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5439.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5446.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5467.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #23	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5467.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #24	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5449.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5469.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #26	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5419.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #27	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5383.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #28	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O	5386.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #29	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O	5390.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5391.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #30	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O	5415.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #31	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC(O)=C1O	5419.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #32	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC(O)=C1O	5400.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #33	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC(O)=C1O	5417.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #34	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(O[Si](C)(C)C)=C1O	5421.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #35	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O[Si](C)(C)C	5371.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #36	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1O	5346.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #37	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1O	5341.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #38	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O	5369.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #39	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O	5376.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5355.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #40	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O	5355.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #41	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O	5371.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #42	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	5423.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #43	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@@H]1O	5439.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #44	C[Si](C)(C)O[C@H]1[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5457.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #45	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@@H]1CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	5448.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #46	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O	5447.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #47	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H]1O	5411.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #48	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1O	5424.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #49	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1O	5439.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5434.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #50	C[Si](C)(C)O[C@@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O[Si](C)(C)C	5452.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #51	C[Si](C)(C)O[C@@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O	5423.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #52	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@@H]1O	5438.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #53	C[Si](C)(C)O[C@@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O	5455.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #54	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	5452.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #55	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H]1CO	5432.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #56	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	5421.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5424.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	5437.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5448.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5428.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5295.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5268.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #100	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5259.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #101	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5207.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #102	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5310.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #103	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5308.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #104	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5265.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #105	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5217.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #106	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5302.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #107	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5237.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #108	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5192.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #109	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5266.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5225.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #110	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5221.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #111	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5271.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #112	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5247.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #113	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O	5226.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #114	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O	5234.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #115	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC(O)=C1O	5241.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #116	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC(O)=C1O	5219.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #117	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC(O)=C1O	5244.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #118	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(O[Si](C)(C)C)=C1O	5246.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #119	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O[Si](C)(C)C	5213.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5312.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #120	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O	5247.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #121	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC(O)=C1O	5236.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #122	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC(O)=C1O	5212.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #123	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC(O)=C1O	5238.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #124	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(O[Si](C)(C)C)=C1O	5230.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #125	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O[Si](C)(C)C	5200.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #126	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC(O)=C1O	5253.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #127	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC(O)=C1O	5233.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #128	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC(O)=C1O	5258.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #129	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)=CC(O[Si](C)(C)C)=C1O	5257.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5293.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #130	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O[Si](C)(C)C	5224.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #131	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=CC(O)=C1O	5250.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #132	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=CC(O)=C1O	5256.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #133	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC(O[Si](C)(C)C)=C1O	5265.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #134	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC(O)=C1O[Si](C)(C)C	5232.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #135	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC(O)=C1O	5246.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #136	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC(O[Si](C)(C)C)=C1O	5231.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #137	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC(O)=C1O[Si](C)(C)C	5203.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #138	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5265.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #139	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5234.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	5314.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #140	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5277.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #141	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1O	5173.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #142	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O	5186.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #143	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O	5189.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #144	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O	5164.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #145	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O	5194.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #146	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O	5197.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #147	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O	5181.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #148	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O	5152.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #149	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O	5186.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5316.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #150	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O	5204.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #151	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O	5177.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #152	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O	5209.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #153	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O	5200.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #154	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O	5209.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #155	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O	5199.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #156	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H]1O	5266.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #157	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@@H]1CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5274.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #158	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)O[C@@H]1CO	5282.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #159	C[Si](C)(C)O[C@H]1[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	5273.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5294.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #160	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1O	5273.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #161	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@@H]1CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	5283.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #162	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	5299.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #163	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@@H]1CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5297.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #164	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1O	5292.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #165	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[Si](C)(C)C	5297.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #166	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1O	5257.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #167	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H]1CO	5265.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #168	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	5274.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #169	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]1O	5279.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5314.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #170	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O	5280.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #171	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	5300.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #172	C[Si](C)(C)O[C@@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O	5274.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #173	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H]1CO	5281.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #174	C[Si](C)(C)O[C@@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O	5296.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #175	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	5285.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5263.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5229.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5265.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5262.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5241.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	5263.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5263.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5241.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5261.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5226.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #27	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5201.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #28	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	5226.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #29	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5226.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5219.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #30	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5200.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #31	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5224.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #32	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5279.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #33	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	5291.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #34	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5309.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #35	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5293.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #36	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5302.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #37	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	5286.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #38	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5296.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #39	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5276.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5308.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #40	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5288.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #41	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5311.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #42	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5295.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #43	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5305.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #44	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	5287.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #45	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	5298.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #46	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	5281.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #47	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5281.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #48	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5275.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #49	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5295.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5287.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #50	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5297.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #51	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5277.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #52	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5302.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #53	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5261.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #54	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5231.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #55	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O	5250.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #56	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O	5233.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #57	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O	5261.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #58	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC(O)=C1O	5270.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #59	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC(O)=C1O	5236.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	5309.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #60	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC(O)=C1O	5269.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #61	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(O[Si](C)(C)C)=C1O	5266.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #62	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O[Si](C)(C)C	5239.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #63	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1O	5195.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #64	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1O	5180.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #65	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O	5206.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #66	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O	5216.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #67	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O	5186.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #68	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O	5219.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #69	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C12	5275.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5310.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #70	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C=C12	5283.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #71	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C=C12	5290.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #72	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C=C12	5266.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #73	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C=C12	5293.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #74	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C=C12	5298.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #75	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C=C12	5289.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #76	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C=C12	5264.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #77	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C=C12	5293.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #78	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C=C12	5305.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #79	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C=C12	5282.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5288.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #80	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C=C12	5310.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #81	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C=C12	5298.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #82	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C=C12	5302.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #83	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=C12	5293.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #84	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5289.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #85	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5297.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #86	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5295.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #87	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5275.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #88	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5297.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #89	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5247.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5307.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #90	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5197.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #91	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5313.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #92	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5296.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #93	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5272.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #94	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5301.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #95	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5234.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #96	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5185.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #97	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5313.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #98	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5295.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,3TMS,isomer #99	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5317.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5741.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	5748.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,1TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	5737.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C12	5781.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5802.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O	5765.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1O	5757.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5763.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O	5750.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O	5765.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O	5776.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5774.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	5794.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5789.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O	5746.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1O	5744.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C12	5762.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C12	5757.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C=C12	5786.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C=C12	5781.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C=C12	5766.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C=C12	5787.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5792.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5775.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5774.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5803.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5796.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5780.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5803.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	5760.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C1	5756.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O	5731.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O	5723.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5747.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O	5755.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=CC(O)=C1O	5754.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=CC(O)=C1O	5738.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O	5759.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	5765.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	5744.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1O	5712.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1O	5701.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O	5729.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1O	5732.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5725.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O	5717.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O	5737.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #42	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	5786.6	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #43	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@@H]1O	5790.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #44	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	5813.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #45	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@@H]1CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	5798.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #46	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O	5800.3	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #47	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H]1O	5772.0	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #48	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H]1O	5772.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #49	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1O	5797.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5800.1	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #50	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5803.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #51	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O	5782.4	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #52	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	5783.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #53	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O	5804.9	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #54	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	5807.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #55	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H]1CO	5787.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #56	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5770.5	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	5789.7	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	5799.2	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	5813.8	Semi standard non polar	33892256
Delphinidin 3-glucosylglucoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	5790.7	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 - Delphinidin 3-glucosylglucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0pb9-3490066000-734851a14052a46987e5	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (1 TMS) - 70eV, Positive	splash10-0089-3336109000-d14dedbfb3a36f0f17cc	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_1_11) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-glucosylglucoside GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-glucosylglucoside 10V, Positive-QTOF	splash10-0udi-0039103000-8c2ce4c528812a001803	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-glucosylglucoside 20V, Positive-QTOF	splash10-0udi-0149000000-121150fcdadb463a113a	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-glucosylglucoside 40V, Positive-QTOF	splash10-0umu-0975000000-98d14f320a5dd90ab7a2	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-glucosylglucoside 10V, Positive-QTOF	splash10-0ar1-0003619000-51ac7aa73a4f4a8408b0	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-glucosylglucoside 20V, Positive-QTOF	splash10-0pba-3309634000-8a4689a62631eee6d19c	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-glucosylglucoside 40V, Positive-QTOF	splash10-0k9b-3669301000-9e6e5d5974d98bf1828e	2021-09-23	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

FooDB ID

FDB021735

KNApSAcK ID

Not Available

Chemspider ID

30777578

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5316496

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1894181

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 Delphinidin 3-glucosylglucoside (HMDB0041594)

MOL for HMDB0041594 (Delphinidin 3-glucosylglucoside)

3D MOL for HMDB0041594 (Delphinidin 3-glucosylglucoside)

3D SDF for HMDB0041594 (Delphinidin 3-glucosylglucoside)

3D-SDF for HMDB0041594 (Delphinidin 3-glucosylglucoside)

PDB for HMDB0041594 (Delphinidin 3-glucosylglucoside)

3D PDB for HMDB0041594 (Delphinidin 3-glucosylglucoside)

SMILES for HMDB0041594 (Delphinidin 3-glucosylglucoside)

INCHI for HMDB0041594 (Delphinidin 3-glucosylglucoside)

Structure for HMDB0041594 (Delphinidin 3-glucosylglucoside)

3D Structure for HMDB0041594 (Delphinidin 3-glucosylglucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra