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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:16:48 UTC

Update Date

2022-03-07 02:55:35 UTC

HMDB ID

HMDB0038003

Secondary Accession Numbers

HMDB38003

Metabolite Identification

Common Name

Delphinidin 3-sambubioside

Description

Delphinidin 3-sambubioside 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-sambubioside is found, on average, in the highest concentration within redcurrants (Ribes rubrum). Delphinidin 3-sambubioside has also been detected, but not quantified in, several different foods, such as custard apples (Annona reticulata), white lupines (Lupinus albus), hazelnuts (Corylus), fennels (Foeniculum vulgare), and watercresses (Rorippa nasturtium-aquaticum). This could make delphinidin 3-sambubioside a potential biomarker for the consumption of these foods. Delphinidin 3-sambubioside is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review very few articles have been published on Delphinidin 3-sambubioside.

Structure

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


  Mrv1652309042000392D          

 42 46  0  0  0  0            999 V2000
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  2  0  0  0  0
 11  3  2  0  0  0  0
 11 10  1  0  0  0  0
 12  1  1  0  0  0  0
 13  2  2  0  0  0  0
 14  7  1  0  0  0  0
 15  4  1  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18 12  2  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23  8  1  0  0  0  0
 23 16  2  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
 26 24  1  0  0  0  0
 27  6  1  0  0  0  0
 28  9  1  0  0  0  0
 29 11  1  0  0  0  0
 30 12  1  0  0  0  0
 31 13  1  0  0  0  0
 32 14  1  0  0  0  0
 33 18  1  0  0  0  0
 34 19  1  0  0  0  0
 35 20  1  0  0  0  0
 36 21  1  0  0  0  0
 37 22  1  0  0  0  0
 38  7  1  0  0  0  0
 38 25  1  0  0  0  0
 39 15  2  0  0  0  0
 39 23  1  0  0  0  0
 40 16  1  0  0  0  0
 40 26  1  0  0  0  0
 41 17  1  0  0  0  0
 41 26  1  0  0  0  0
 42 24  1  0  0  0  0
 42 25  1  0  0  0  0
M  CHG  1  39   1
M  END

HMDB0038003
     RDKit          3D
Delphinidin 3-sambubioside
 71 75  0  0  0  0  0  0  0  0999 V2000
   -2.1575    4.8088   -1.3837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9434    3.8898   -0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6211    3.1780   -0.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4624    2.3081    0.5413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4352    0.9707    0.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8607    0.5714   -0.0587 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7466   -0.0033    0.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4364   -0.1946    2.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3406   -0.7769    2.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0356   -0.9743    4.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -0.5643    4.7708 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9462   -1.5563    5.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1772   -1.9489    4.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1086   -2.5378    5.5504 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4702   -1.7442    3.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575   -1.1639    2.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8328   -0.9774    1.2622 O   0  0  0  0  0  3  0  0  0  0  0  0
    2.9954   -0.4188    0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4753   -0.2886   -0.9873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7210    0.1493   -2.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3068    0.2495   -3.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5617    0.6945   -4.3701 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6307   -0.0836   -3.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2067    0.0173   -4.7732 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4092   -0.5318   -2.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7414   -0.8761   -2.6551 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8134   -0.6188   -1.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3619    0.5708   -0.8601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6808    0.4946   -0.4517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2346   -0.7490   -0.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3220   -0.7349   -1.3261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8527   -2.0141   -1.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6292   -2.3215   -0.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0066   -2.2415   -0.4446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3120   -1.2900    0.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7037   -1.7646    2.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8132   -1.0840    0.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5804   -0.0831    1.8478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1347    1.3005   -2.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3245    1.5329   -2.8337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5063    2.6159   -1.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9402    3.5315   -2.8360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4954    5.5321   -1.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8136    3.2217   -0.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9738    4.4765    0.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1688    3.9761   -0.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.4603    1.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4928    0.1084    2.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5662   -0.7083    5.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7135   -1.7159    6.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0063   -2.8252    5.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4234   -2.0394    2.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6838    0.4179   -1.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9745    0.7706   -5.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1746   -0.2374   -4.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3238   -1.2039   -1.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4591   -0.9784   -0.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1008   -0.5197   -1.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5658   -1.5619   -0.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5535   -2.0918   -2.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0650   -2.7750   -1.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3803   -3.3405    0.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1663   -2.8334   -1.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8602   -0.3388    0.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1635   -1.0509    2.6403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3761   -2.0189    1.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0612   -0.3589    2.6261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4877    0.7470   -2.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0850    1.7085   -2.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6036    2.5148   -2.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8353    3.3234   -3.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  2  0
  5 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 28 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41  3  1  0
 18  7  1  0
 27 19  1  0
 37 30  1  0
 16  9  1  0
  1 43  1  0
  2 44  1  0
  2 45  1  0
  3 46  1  0
  5 47  1  0
  8 48  1  0
 11 49  1  0
 12 50  1  0
 14 51  1  0
 15 52  1  0
 20 53  1  0
 22 54  1  0
 24 55  1  0
 26 56  1  0
 27 57  1  0
 28 58  1  0
 30 59  1  0
 32 60  1  0
 32 61  1  0
 33 62  1  0
 34 63  1  0
 35 64  1  0
 36 65  1  0
 37 66  1  0
 38 67  1  0
 39 68  1  0
 40 69  1  0
 41 70  1  0
 42 71  1  0
M  CHG  1  17   1
M  END


  Mrv1652309042000392D          

 42 46  0  0  0  0            999 V2000
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  2  0  0  0  0
 11  3  2  0  0  0  0
 11 10  1  0  0  0  0
 12  1  1  0  0  0  0
 13  2  2  0  0  0  0
 14  7  1  0  0  0  0
 15  4  1  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18 12  2  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23  8  1  0  0  0  0
 23 16  2  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
 26 24  1  0  0  0  0
 27  6  1  0  0  0  0
 28  9  1  0  0  0  0
 29 11  1  0  0  0  0
 30 12  1  0  0  0  0
 31 13  1  0  0  0  0
 32 14  1  0  0  0  0
 33 18  1  0  0  0  0
 34 19  1  0  0  0  0
 35 20  1  0  0  0  0
 36 21  1  0  0  0  0
 37 22  1  0  0  0  0
 38  7  1  0  0  0  0
 38 25  1  0  0  0  0
 39 15  2  0  0  0  0
 39 23  1  0  0  0  0
 40 16  1  0  0  0  0
 40 26  1  0  0  0  0
 41 17  1  0  0  0  0
 41 26  1  0  0  0  0
 42 24  1  0  0  0  0
 42 25  1  0  0  0  0
M  CHG  1  39   1
M  END
> <DATABASE_ID>
HMDB0038003

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C26H28O16/c27-6-17-20(35)21(36)24(42-25-22(37)19(34)14(32)7-38-25)26(41-17)40-16-5-10-11(29)3-9(28)4-15(10)39-23(16)8-1-12(30)18(33)13(31)2-8/h1-5,14,17,19-22,24-27,32,34-37H,6-7H2,(H4-,28,29,30,31,33)/p+1

> <INCHI_KEY>
TWYYVOVDSNRIJM-UHFFFAOYSA-O

> <FORMULA>
C26H29O16

> <MOLECULAR_WEIGHT>
597.4989

> <EXACT_MASS>
597.14555988

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
56.39435726168077

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
0.08

> <JCHEM_LOGP>
-1.3416000000000003

> <ALOGPS_LOGS>
-2.66

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.293529135205345

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.366606855198211

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6726879805135386

> <JCHEM_POLAR_SURFACE_AREA>
272.59

> <JCHEM_REFRACTIVITY>
144.6892

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.38e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0038003
     RDKit          3D
Delphinidin 3-sambubioside
 71 75  0  0  0  0  0  0  0  0999 V2000
   -2.1575    4.8088   -1.3837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9434    3.8898   -0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6211    3.1780   -0.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4624    2.3081    0.5413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4352    0.9707    0.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8607    0.5714   -0.0587 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7466   -0.0033    0.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4364   -0.1946    2.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3406   -0.7769    2.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0356   -0.9743    4.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -0.5643    4.7708 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9462   -1.5563    5.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1772   -1.9489    4.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1086   -2.5378    5.5504 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4702   -1.7442    3.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575   -1.1639    2.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8328   -0.9774    1.2622 O   0  0  0  0  0  3  0  0  0  0  0  0
    2.9954   -0.4188    0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4753   -0.2886   -0.9873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7210    0.1493   -2.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3068    0.2495   -3.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5617    0.6945   -4.3701 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6307   -0.0836   -3.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2067    0.0173   -4.7732 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4092   -0.5318   -2.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7414   -0.8761   -2.6551 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8134   -0.6188   -1.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3619    0.5708   -0.8601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6808    0.4946   -0.4517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2346   -0.7490   -0.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3220   -0.7349   -1.3261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8527   -2.0141   -1.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6292   -2.3215   -0.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0066   -2.2415   -0.4446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3120   -1.2900    0.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7037   -1.7646    2.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8132   -1.0840    0.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5804   -0.0831    1.8478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1347    1.3005   -2.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3245    1.5329   -2.8337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5063    2.6159   -1.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9402    3.5315   -2.8360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4954    5.5321   -1.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8136    3.2217   -0.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9738    4.4765    0.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1688    3.9761   -0.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.4603    1.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4928    0.1084    2.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5662   -0.7083    5.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7135   -1.7159    6.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0063   -2.8252    5.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4234   -2.0394    2.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6838    0.4179   -1.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9745    0.7706   -5.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1746   -0.2374   -4.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3238   -1.2039   -1.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4591   -0.9784   -0.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1008   -0.5197   -1.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5658   -1.5619   -0.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5535   -2.0918   -2.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0650   -2.7750   -1.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3803   -3.3405    0.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1663   -2.8334   -1.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8602   -0.3388    0.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1635   -1.0509    2.6403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3761   -2.0189    1.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0612   -0.3589    2.6261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4877    0.7470   -2.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0850    1.7085   -2.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6036    2.5148   -2.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8353    3.3234   -3.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  2  0
  5 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 28 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41  3  1  0
 18  7  1  0
 27 19  1  0
 37 30  1  0
 16  9  1  0
  1 43  1  0
  2 44  1  0
  2 45  1  0
  3 46  1  0
  5 47  1  0
  8 48  1  0
 11 49  1  0
 12 50  1  0
 14 51  1  0
 15 52  1  0
 20 53  1  0
 22 54  1  0
 24 55  1  0
 26 56  1  0
 27 57  1  0
 28 58  1  0
 30 59  1  0
 32 60  1  0
 32 61  1  0
 33 62  1  0
 34 63  1  0
 35 64  1  0
 36 65  1  0
 37 66  1  0
 38 67  1  0
 39 68  1  0
 40 69  1  0
 41 70  1  0
 42 71  1  0
M  CHG  1  17   1
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.337   4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      14.671   3.850   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      14.671   2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      13.337   1.540   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      12.003   2.310   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       5.335   6.160   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      12.003  -2.310   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       9.336  -6.930   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      16.004   4.620   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      12.003  -5.390   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      16.004   1.540   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       8.002   6.160   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      10.669   4.620   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      13.337   0.000   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      12.003   3.850   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+1
HETATM   40  O   UNK     0       8.002   0.000   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       6.668   2.310   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      10.669   1.540   0.000  0.00  0.00           O+0
CONECT    1    8   12                                                       
CONECT    2    8   13                                                       
CONECT    3    9   11                                                       
CONECT    4    9   15                                                       
CONECT    5   10   16                                                       
CONECT    6   17   27                                                       
CONECT    7   14   38                                                       
CONECT    8    1    2   23                                                  
CONECT    9    3    4   28                                                  
CONECT   10    5   11   15                                                  
CONECT   11    3   10   29                                                  
CONECT   12    1   18   30                                                  
CONECT   13    2   18   31                                                  
CONECT   14    7   19   32                                                  
CONECT   15    4   10   39                                                  
CONECT   16    5   23   40                                                  
CONECT   17    6   20   41                                                  
CONECT   18   12   13   33                                                  
CONECT   19   14   22   34                                                  
CONECT   20   17   21   35                                                  
CONECT   21   20   24   36                                                  
CONECT   22   19   25   37                                                  
CONECT   23    8   16   39                                                  
CONECT   24   21   26   42                                                  
CONECT   25   22   38   42                                                  
CONECT   26   24   40   41                                                  
CONECT   27    6                                                            
CONECT   28    9                                                            
CONECT   29   11                                                            
CONECT   30   12                                                            
CONECT   31   13                                                            
CONECT   32   14                                                            
CONECT   33   18                                                            
CONECT   34   19                                                            
CONECT   35   20                                                            
CONECT   36   21                                                            
CONECT   37   22                                                            
CONECT   38    7   25                                                       
CONECT   39   15   23                                                       
CONECT   40   16   26                                                       
CONECT   41   17   26                                                       
CONECT   42   24   25                                                       
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

COMPND    HMDB0038003
HETATM    1  O1  UNL     1      -2.157   4.809  -1.384  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.943   3.890  -0.357  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.621   3.178  -0.483  1.00  0.00           C  
HETATM    4  O2  UNL     1      -0.462   2.308   0.541  1.00  0.00           O  
HETATM    5  C3  UNL     1      -0.435   0.971   0.216  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.861   0.571  -0.059  1.00  0.00           O  
HETATM    7  C4  UNL     1       1.747  -0.003   0.800  1.00  0.00           C  
HETATM    8  C5  UNL     1       1.436  -0.195   2.126  1.00  0.00           C  
HETATM    9  C6  UNL     1       2.341  -0.777   2.990  1.00  0.00           C  
HETATM   10  C7  UNL     1       2.036  -0.974   4.332  1.00  0.00           C  
HETATM   11  O4  UNL     1       0.788  -0.564   4.771  1.00  0.00           O  
HETATM   12  C8  UNL     1       2.946  -1.556   5.186  1.00  0.00           C  
HETATM   13  C9  UNL     1       4.177  -1.949   4.704  1.00  0.00           C  
HETATM   14  O5  UNL     1       5.109  -2.538   5.550  1.00  0.00           O  
HETATM   15  C10 UNL     1       4.470  -1.744   3.352  1.00  0.00           C  
HETATM   16  C11 UNL     1       3.557  -1.164   2.509  1.00  0.00           C  
HETATM   17  O6  UNL     1       3.833  -0.977   1.262  1.00  0.00           O1+
HETATM   18  C12 UNL     1       2.995  -0.419   0.378  1.00  0.00           C  
HETATM   19  C13 UNL     1       3.475  -0.289  -0.987  1.00  0.00           C  
HETATM   20  C14 UNL     1       2.721   0.149  -2.026  1.00  0.00           C  
HETATM   21  C15 UNL     1       3.307   0.249  -3.290  1.00  0.00           C  
HETATM   22  O7  UNL     1       2.562   0.694  -4.370  1.00  0.00           O  
HETATM   23  C16 UNL     1       4.631  -0.084  -3.519  1.00  0.00           C  
HETATM   24  O8  UNL     1       5.207   0.017  -4.773  1.00  0.00           O  
HETATM   25  C17 UNL     1       5.409  -0.532  -2.467  1.00  0.00           C  
HETATM   26  O9  UNL     1       6.741  -0.876  -2.655  1.00  0.00           O  
HETATM   27  C18 UNL     1       4.813  -0.619  -1.249  1.00  0.00           C  
HETATM   28  C19 UNL     1      -1.362   0.571  -0.860  1.00  0.00           C  
HETATM   29  O10 UNL     1      -2.681   0.495  -0.452  1.00  0.00           O  
HETATM   30  C20 UNL     1      -3.235  -0.749  -0.447  1.00  0.00           C  
HETATM   31  O11 UNL     1      -4.322  -0.735  -1.326  1.00  0.00           O  
HETATM   32  C21 UNL     1      -4.853  -2.014  -1.439  1.00  0.00           C  
HETATM   33  C22 UNL     1      -5.629  -2.321  -0.181  1.00  0.00           C  
HETATM   34  O12 UNL     1      -7.007  -2.242  -0.445  1.00  0.00           O  
HETATM   35  C23 UNL     1      -5.312  -1.290   0.853  1.00  0.00           C  
HETATM   36  O13 UNL     1      -5.704  -1.765   2.120  1.00  0.00           O  
HETATM   37  C24 UNL     1      -3.813  -1.084   0.927  1.00  0.00           C  
HETATM   38  O14 UNL     1      -3.580  -0.083   1.848  1.00  0.00           O  
HETATM   39  C25 UNL     1      -1.135   1.300  -2.116  1.00  0.00           C  
HETATM   40  O15 UNL     1      -2.325   1.533  -2.834  1.00  0.00           O  
HETATM   41  C26 UNL     1      -0.506   2.616  -1.851  1.00  0.00           C  
HETATM   42  O16 UNL     1      -0.940   3.531  -2.836  1.00  0.00           O  
HETATM   43  H1  UNL     1      -1.495   5.532  -1.398  1.00  0.00           H  
HETATM   44  H2  UNL     1      -2.814   3.222  -0.357  1.00  0.00           H  
HETATM   45  H3  UNL     1      -1.974   4.476   0.585  1.00  0.00           H  
HETATM   46  H4  UNL     1       0.169   3.976  -0.386  1.00  0.00           H  
HETATM   47  H5  UNL     1      -0.746   0.460   1.189  1.00  0.00           H  
HETATM   48  H6  UNL     1       0.493   0.108   2.527  1.00  0.00           H  
HETATM   49  H7  UNL     1       0.566  -0.708   5.747  1.00  0.00           H  
HETATM   50  H8  UNL     1       2.714  -1.716   6.245  1.00  0.00           H  
HETATM   51  H9  UNL     1       6.006  -2.825   5.204  1.00  0.00           H  
HETATM   52  H10 UNL     1       5.423  -2.039   2.942  1.00  0.00           H  
HETATM   53  H11 UNL     1       1.684   0.418  -1.945  1.00  0.00           H  
HETATM   54  H12 UNL     1       2.974   0.771  -5.287  1.00  0.00           H  
HETATM   55  H13 UNL     1       6.175  -0.237  -4.887  1.00  0.00           H  
HETATM   56  H14 UNL     1       7.324  -1.204  -1.901  1.00  0.00           H  
HETATM   57  H15 UNL     1       5.459  -0.978  -0.433  1.00  0.00           H  
HETATM   58  H16 UNL     1      -1.101  -0.520  -1.091  1.00  0.00           H  
HETATM   59  H17 UNL     1      -2.566  -1.562  -0.773  1.00  0.00           H  
HETATM   60  H18 UNL     1      -5.554  -2.092  -2.301  1.00  0.00           H  
HETATM   61  H19 UNL     1      -4.065  -2.775  -1.644  1.00  0.00           H  
HETATM   62  H20 UNL     1      -5.380  -3.341   0.214  1.00  0.00           H  
HETATM   63  H21 UNL     1      -7.166  -2.833  -1.229  1.00  0.00           H  
HETATM   64  H22 UNL     1      -5.860  -0.339   0.670  1.00  0.00           H  
HETATM   65  H23 UNL     1      -6.163  -1.051   2.640  1.00  0.00           H  
HETATM   66  H24 UNL     1      -3.376  -2.019   1.303  1.00  0.00           H  
HETATM   67  H25 UNL     1      -3.061  -0.359   2.626  1.00  0.00           H  
HETATM   68  H26 UNL     1      -0.488   0.747  -2.847  1.00  0.00           H  
HETATM   69  H27 UNL     1      -3.085   1.708  -2.241  1.00  0.00           H  
HETATM   70  H28 UNL     1       0.604   2.515  -2.094  1.00  0.00           H  
HETATM   71  H29 UNL     1      -1.835   3.323  -3.140  1.00  0.00           H  
CONECT    1    2   43
CONECT    2    3   44   45
CONECT    3    4   41   46
CONECT    4    5
CONECT    5    6   28   47
CONECT    6    7
CONECT    7    8    8   18
CONECT    8    9   48
CONECT    9   10   10   16
CONECT   10   11   12
CONECT   11   49
CONECT   12   13   13   50
CONECT   13   14   15
CONECT   14   51
CONECT   15   16   16   52
CONECT   16   17
CONECT   17   18   18
CONECT   18   19
CONECT   19   20   20   27
CONECT   20   21   53
CONECT   21   22   23   23
CONECT   22   54
CONECT   23   24   25
CONECT   24   55
CONECT   25   26   27   27
CONECT   26   56
CONECT   27   57
CONECT   28   29   39   58
CONECT   29   30
CONECT   30   31   37   59
CONECT   31   32
CONECT   32   33   60   61
CONECT   33   34   35   62
CONECT   34   63
CONECT   35   36   37   64
CONECT   36   65
CONECT   37   38   66
CONECT   38   67
CONECT   39   40   41   68
CONECT   40   69
CONECT   41   42   70
CONECT   42   71
END

HMDB0038003
     RDKit          3D
Delphinidin 3-sambubioside
 71 75  0  0  0  0  0  0  0  0999 V2000
   -2.1575    4.8088   -1.3837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9434    3.8898   -0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6211    3.1780   -0.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4624    2.3081    0.5413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4352    0.9707    0.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8607    0.5714   -0.0587 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7466   -0.0033    0.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4364   -0.1946    2.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3406   -0.7769    2.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0356   -0.9743    4.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -0.5643    4.7708 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9462   -1.5563    5.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1772   -1.9489    4.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1086   -2.5378    5.5504 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4702   -1.7442    3.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575   -1.1639    2.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8328   -0.9774    1.2622 O   0  0  0  0  0  3  0  0  0  0  0  0
    2.9954   -0.4188    0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4753   -0.2886   -0.9873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7210    0.1493   -2.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3068    0.2495   -3.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5617    0.6945   -4.3701 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6307   -0.0836   -3.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2067    0.0173   -4.7732 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4092   -0.5318   -2.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7414   -0.8761   -2.6551 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8134   -0.6188   -1.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3619    0.5708   -0.8601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6808    0.4946   -0.4517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2346   -0.7490   -0.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3220   -0.7349   -1.3261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8527   -2.0141   -1.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6292   -2.3215   -0.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0066   -2.2415   -0.4446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3120   -1.2900    0.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7037   -1.7646    2.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8132   -1.0840    0.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5804   -0.0831    1.8478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1347    1.3005   -2.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3245    1.5329   -2.8337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5063    2.6159   -1.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9402    3.5315   -2.8360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4954    5.5321   -1.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8136    3.2217   -0.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9738    4.4765    0.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1688    3.9761   -0.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.4603    1.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4928    0.1084    2.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5662   -0.7083    5.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7135   -1.7159    6.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0063   -2.8252    5.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4234   -2.0394    2.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6838    0.4179   -1.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9745    0.7706   -5.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1746   -0.2374   -4.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3238   -1.2039   -1.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4591   -0.9784   -0.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1008   -0.5197   -1.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5658   -1.5619   -0.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5535   -2.0918   -2.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0650   -2.7750   -1.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3803   -3.3405    0.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1663   -2.8334   -1.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8602   -0.3388    0.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1635   -1.0509    2.6403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3761   -2.0189    1.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0612   -0.3589    2.6261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4877    0.7470   -2.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0850    1.7085   -2.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6036    2.5148   -2.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8353    3.3234   -3.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  2  0
  5 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 28 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41  3  1  0
 18  7  1  0
 27 19  1  0
 37 30  1  0
 16  9  1  0
  1 43  1  0
  2 44  1  0
  2 45  1  0
  3 46  1  0
  5 47  1  0
  8 48  1  0
 11 49  1  0
 12 50  1  0
 14 51  1  0
 15 52  1  0
 20 53  1  0
 22 54  1  0
 24 55  1  0
 26 56  1  0
 27 57  1  0
 28 58  1  0
 30 59  1  0
 32 60  1  0
 32 61  1  0
 33 62  1  0
 34 63  1  0
 35 64  1  0
 36 65  1  0
 37 66  1  0
 38 67  1  0
 39 68  1  0
 40 69  1  0
 41 70  1  0
 42 71  1  0
M  CHG  1  17   1
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₆H₂₉O₁₆

Average Molecular Weight

597.4989

Monoisotopic Molecular Weight

597.14555988

IUPAC Name

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

Traditional Name

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

CAS Registry Number

53158-73-9

SMILES

OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O

InChI Identifier

InChI=1S/C26H28O16/c27-6-17-20(35)21(36)24(42-25-22(37)19(34)14(32)7-38-25)26(41-17)40-16-5-10-11(29)3-9(28)4-15(10)39-23(16)8-1-12(30)18(33)13(31)2-8/h1-5,14,17,19-22,24-27,32,34-37H,6-7H2,(H4-,28,29,30,31,33)/p+1

InChI Key

TWYYVOVDSNRIJM-UHFFFAOYSA-O

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Anthocyanidin-3-O-glycosides

Alternative Parents

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: HMDB0038003)
Cytoplasm (HMDB: HMDB0038003)

Cytoplasm (HMDB: HMDB0038003)
Extracellular (HMDB: HMDB0038003)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0038003)

Source

Exogenous

Food

Food (HMDB: HMDB0038003)

Herb and spice mixture

Curry powder (FooDB: FOOD00678)

Herbs and Spices (FooDB: FOOD00866)

Vegetable

Cabbage

Onion-family vegetable

Root vegetable

Shoot vegetable

Leaf vegetable

Common beet (FooDB: FOOD00025)
Endive (FooDB: FOOD00048)
Rocket salad (ssp.) (FooDB: FOOD00077)
Swamp cabbage (FooDB: FOOD00091)
Lettuce (FooDB: FOOD00095)
Garden cress (FooDB: FOOD00099)
Spinach (FooDB: FOOD00178)
Swiss chard (FooDB: FOOD00237)
Chicory leaves (FooDB: FOOD00250)
Garland chrysanthemum (FooDB: FOOD00333)
Corn salad (FooDB: FOOD00340)
Lambsquarters (FooDB: FOOD00394)
Jute (FooDB: FOOD00389)
Malabar spinach (FooDB: FOOD00404)
New Zealand spinach (FooDB: FOOD00415)
Yautia (FooDB: FOOD00510)
Ostrich fern (FooDB: FOOD00556)
Romaine lettuce (FooDB: FOOD00888)
Iceberg lettuce (FooDB: FOOD00973)
Pea shoots (FooDB: FOOD00975)
Water spinach (FooDB: FOOD00977)
Yau choy (FooDB: FOOD00976)

Fruit vegetable

Pepper (FooDB: FOOD00040)
Olive (FooDB: FOOD00121)
Avocado (FooDB: FOOD00130)
Garden tomato (FooDB: FOOD00171)
Cherry tomato (FooDB: FOOD00172)
Garden tomato (var.) (FooDB: FOOD00173)
Eggplant (FooDB: FOOD00174)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (Capsicum) (FooDB: FOOD00233)
Groundcherry (FooDB: FOOD00371)
Pepper (C. frutescens) (FooDB: FOOD00428)
Mexican groundcherry (FooDB: FOOD00491)
Pepper (C. pubescens) (FooDB: FOOD00849)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Orange bell pepper (FooDB: FOOD00879)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Jalapeno pepper (FooDB: FOOD00955)
Cubanelle pepper (FooDB: FOOD00971)

Tuber

Stalk vegetable

Other vegetable

Giant butterbur (FooDB: FOOD00314)
Carob (FooDB: FOOD00321)
Chinese water chestnut (FooDB: FOOD00332)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Nopal (FooDB: FOOD00416)
Okra (FooDB: FOOD00420)
Sesbania flower (FooDB: FOOD00469)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Heart of palm (FooDB: FOOD00718)
Tree fern (FooDB: FOOD00797)

Mushroom

Castanospermum australe (FooDB: FOOD00893)
Juniperus communis (FooDB: FOOD00895)
Gentiana lutea (FooDB: FOOD00894)
Albizia gummifera (FooDB: FOOD00896)

Fruit

Tropical fruit

Citrus

Lime (FooDB: FOOD00053)
Lemon (FooDB: FOOD00054)
Pummelo (FooDB: FOOD00055)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Sweet orange (FooDB: FOOD00057)
Grapefruit (FooDB: FOOD00256)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Persian lime (FooDB: FOOD00543)
Sour orange (FooDB: FOOD00918)
Mikan (FooDB: FOOD00932)
Clementine (FooDB: FOOD00959)

Pome

Berry

Black crowberry (FooDB: FOOD00075)
Strawberry (FooDB: FOOD00083)
Black huckleberry (FooDB: FOOD00084)
Sea-buckthornberry (FooDB: FOOD00087)
Black mulberry (FooDB: FOOD00117)
Mulberry (FooDB: FOOD00116)
Black chokeberry (FooDB: FOOD00136)
Redcurrant (FooDB: FOOD00156)
Blackcurrant (FooDB: FOOD00155)
Gooseberry (FooDB: FOOD00157)
Cloudberry (FooDB: FOOD00161)
Red raspberry (FooDB: FOOD00162)
Black raspberry (FooDB: FOOD00163)
Black elderberry (FooDB: FOOD00166)
Rowanberry (FooDB: FOOD00176)
Lowbush blueberry (FooDB: FOOD00189)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
Common grape (FooDB: FOOD00204)
American cranberry (FooDB: FOOD00192)
Bilberry (FooDB: FOOD00193)
Lingonberry (FooDB: FOOD00194)
Muscadine grape (FooDB: FOOD00203)
Arctic blackberry (FooDB: FOOD00207)
Elliott's blueberry (FooDB: FOOD00210)
Bayberry (FooDB: FOOD00209)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Elderberry (FooDB: FOOD00358)
Grape (FooDB: FOOD00369)
Alaska blueberry (FooDB: FOOD00380)
Loganberry (FooDB: FOOD00400)
Ohelo berry (FooDB: FOOD00419)
Salmonberry (FooDB: FOOD00456)
Strawberry guava (FooDB: FOOD00482)
Boysenberry (FooDB: FOOD00542)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)
Rabbiteye blueberry (FooDB: FOOD00898)
Blackberry (FooDB: FOOD00906)
Partridge berry (FooDB: FOOD00931)
Green grape (FooDB: FOOD00964)
Black plum (FooDB: FOOD00966)
Red grape (FooDB: FOOD00965)
Black raisin (FooDB: FOOD00968)
Chinese plum (FooDB: FOOD00978)
Green plum (FooDB: FOOD00979)
Wampee (FooDB: FOOD00980)
Goji (FooDB: FOOD00982)
Monk fruit (FooDB: FOOD00983)
Hawthorn (FooDB: FOOD00985)
Lantern fruit (FooDB: FOOD00986)
Cape gooseberry (FooDB: FOOD00988)

Other fruit

Fig (FooDB: FOOD00081)
Date (FooDB: FOOD00135)
Jujube (FooDB: FOOD00388)

Drupe

Prunus (Cherry, Plum) (FooDB: FOOD00143)
Sour cherry (FooDB: FOOD00146)
Apricot (FooDB: FOOD00144)
Sweet cherry (FooDB: FOOD00145)
European plum (FooDB: FOOD00147)
Peach (FooDB: FOOD00149)
Nectarine (FooDB: FOOD00229)
Peach (var.) (FooDB: FOOD00230)
Common chokecherry (FooDB: FOOD00562)

Nut

Cashew nut (FooDB: FOOD00011)
Peanut (FooDB: FOOD00016)
Brazil nut (FooDB: FOOD00024)
Pecan nut (FooDB: FOOD00044)
Chestnut (FooDB: FOOD00045)
Common hazelnut (FooDB: FOOD00062)
Common walnut (FooDB: FOOD00094)
Black walnut (FooDB: FOOD00093)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Almond (FooDB: FOOD00148)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hickory nut (FooDB: FOOD00377)
Hazelnut (FooDB: FOOD00376)
Japanese chestnut (FooDB: FOOD00385)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Macadamia nut (FooDB: FOOD00525)
Walnut (FooDB: FOOD00608)

Cereal and cereal product

Cereal

Cereal product

Pasta (FooDB: FOOD00273)
Bulgur (FooDB: FOOD00741)
Semolina (FooDB: FOOD00745)
Flour (FooDB: FOOD00799)

Dough

Sourdough (FooDB: FOOD00275)

Flat bread

Leavened bread

Other bread

Potato bread (FooDB: FOOD00811)

Sweet bread

Raisin bread (FooDB: FOOD00817)

Pulse

Pea

Lentil

Lentils (FooDB: FOOD00098)

Other pulse

Lupine (FooDB: FOOD00104)
White lupine (FooDB: FOOD00403)

Bean

Green lentil (FooDB: FOOD00970)

Gourd

Watermelon (FooDB: FOOD00052)
Muskmelon (FooDB: FOOD00064)
Cucumber (FooDB: FOOD00065)
Cucurbita (FooDB: FOOD00066)
Bitter gourd (FooDB: FOOD00115)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Calabash (FooDB: FOOD00318)
Chayote (FooDB: FOOD00325)
Towel gourd (FooDB: FOOD00492)
Wax gourd (FooDB: FOOD00499)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Acorn squash (FooDB: FOOD00972)
Cantaloupe melon (FooDB: FOOD00984)

Coffee and coffee product

Coffee

Arabica coffee (FooDB: FOOD00059)
Robusta coffee (FooDB: FOOD00060)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Soy sauce (FooDB: FOOD00694)
Tofu (FooDB: FOOD00696)
Miso (FooDB: FOOD00695)
Soy milk (FooDB: FOOD00736)
Soy cream (FooDB: FOOD00784)

Tea

Herbal tea

Hibiscus tea (FooDB: FOOD00723)
Greenthread tea (FooDB: FOOD00820)

Baking good

Wrapper

Wonton wrapper (FooDB: FOOD00818)

Dish

Other dish

Taco shell (FooDB: FOOD00991)
Tostada shell (FooDB: FOOD00992)

Endogenous

Plant

Plant (HMDB: HMDB0038003)
Fabaceae (HMDB: HMDB0038003)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Anthocyanidin Sambubioside Biosynthesis (PathBank: SMP0012030)

Role

Biological role

Nutrient

Nutrient (HMDB: HMDB0038003)

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	1882 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.38 g/L	ALOGPS
logP	0.08	ALOGPS
logP	-1.3	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	6.37	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	272.59 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	144.69 m³·mol⁻¹	ChemAxon
Polarizability	56.39 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]+	217.672	30932474
DeepCCS	[M-H]-	215.643	30932474
DeepCCS	[M-2H]-	248.884	30932474
DeepCCS	[M+Na]+	223.413	30932474
AllCCS	[M+H]+	229.1	32859911
AllCCS	[M+H-H2O]+	227.8	32859911
AllCCS	[M+NH4]+	230.3	32859911
AllCCS	[M+Na]+	230.7	32859911
AllCCS	[M-H]-	225.0	32859911
AllCCS	[M+Na-2H]-	226.9	32859911
AllCCS	[M+HCOO]-	229.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Delphinidin 3-sambubioside	OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	6262.9	Standard polar	33892256
Delphinidin 3-sambubioside	OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5603.6	Standard non polar	33892256
Delphinidin 3-sambubioside	OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5712.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Delphinidin 3-sambubioside,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5544.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,1TMS,isomer #10	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C1O	5572.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C=C12	5640.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,1TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5658.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,1TMS,isomer #4	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)=CC(O)=C1O	5628.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,1TMS,isomer #5	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C=C1O	5598.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,1TMS,isomer #6	C[Si](C)(C)OC1COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O)C(O)C1O	5588.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,1TMS,isomer #7	C[Si](C)(C)OC1C(O)COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O)C1O	5567.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,1TMS,isomer #8	C[Si](C)(C)OC1C(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O)OCC(O)C1O	5574.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,1TMS,isomer #9	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C1OC1OCC(O)C(O)C1O	5586.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5532.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #10	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5551.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #11	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)=CC(O)=C1O	5552.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #12	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C=C1O	5511.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O)C=C12	5541.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)C=C12	5553.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C=C12	5541.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #16	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C=C12	5523.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C=C12	5534.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5551.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5562.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5540.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5546.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5530.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5544.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #23	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5557.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #24	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5520.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #25	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O)C2O)=CC(O)=C1O	5531.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #26	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O)=CC(O)=C1O	5541.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #27	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O	5527.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #28	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	5509.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #29	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	5517.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5521.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #30	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)=CC(O[Si](C)(C)C)=C1O	5563.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #31	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)=CC(O)=C1O[Si](C)(C)C	5494.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #32	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O)C2O)C=C1O	5501.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #33	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O)C=C1O	5512.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #34	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)C=C1O	5497.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #35	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)C=C1O	5468.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #36	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)C=C1O	5478.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #37	C[Si](C)(C)OC1COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C1O	5496.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #38	C[Si](C)(C)OC1COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C1O	5512.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #39	C[Si](C)(C)OC1COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C1O	5484.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5505.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #40	C[Si](C)(C)OC1COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O)C(O)C1O[Si](C)(C)C	5511.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #41	C[Si](C)(C)OC1C(O)COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O	5493.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #42	C[Si](C)(C)OC1C(O)COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O	5506.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #43	C[Si](C)(C)OC1C(O)COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C	5484.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #44	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C1O	5488.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #45	C[Si](C)(C)OC1C(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O[Si](C)(C)C)OCC(O)C1O	5506.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #46	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C1O[Si](C)(C)C	5512.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5490.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5484.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O	5480.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O	5498.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C	5504.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5376.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5341.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #100	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	5364.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #101	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	5340.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #102	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)=CC(O[Si](C)(C)C)=C1O	5380.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #103	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O[Si](C)(C)C	5337.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #104	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O	5321.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #105	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O	5334.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #106	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C	5290.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #107	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5358.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #108	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5317.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #109	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5360.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5402.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #110	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O)C=C1O	5368.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #111	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)C=C1O	5337.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #112	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)C=C1O	5293.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #113	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)C=C1O	5321.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #114	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)C=C1O	5333.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #115	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)C=C1O	5287.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #116	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)C=C1O	5321.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #117	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O	5328.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #118	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O	5311.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #119	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	5285.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5379.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #120	C[Si](C)(C)OC1COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	5390.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #121	C[Si](C)(C)OC1COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	5366.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #122	C[Si](C)(C)OC1COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	5391.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #123	C[Si](C)(C)OC1COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5378.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #124	C[Si](C)(C)OC1COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5403.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #125	C[Si](C)(C)OC1COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5395.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #126	C[Si](C)(C)OC1C(O)COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	5399.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #127	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	5361.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #128	C[Si](C)(C)OC1C(O)COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C	5371.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #129	C[Si](C)(C)OC1C(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OCC(O)C1O	5399.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O	5397.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O	5404.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C	5420.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5409.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5358.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5384.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5357.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5385.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O	5374.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O	5392.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C	5412.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5357.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5315.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O	5343.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O	5362.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C	5385.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	5405.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	5379.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5345.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	5396.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C	5419.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	5372.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	5402.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	5420.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5402.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5425.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5437.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #38	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5369.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #39	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5368.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5409.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #40	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5366.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #41	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5327.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #42	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5352.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #43	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5327.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #44	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5277.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #45	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O)C2O)=CC(O)=C1O	5375.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #46	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O)=CC(O)=C1O	5370.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #47	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O	5368.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #48	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	5321.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #49	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	5348.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5380.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #50	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)=CC(O[Si](C)(C)C)=C1O	5376.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #51	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)=CC(O)=C1O[Si](C)(C)C	5330.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #52	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O)C2O)C=C1O	5328.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #53	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O)C=C1O	5317.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #54	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)C=C1O	5323.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #55	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)C=C1O	5265.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #56	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)C=C1O	5304.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #57	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)C=C12	5418.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #58	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C=C12	5397.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #59	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C=C12	5369.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O	5399.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #60	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C=C12	5385.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #61	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C=C12	5402.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #62	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C=C12	5370.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #63	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C=C12	5392.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #64	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C12	5394.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #65	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C12	5373.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #66	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C12	5352.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #67	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5405.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #68	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5390.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #69	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5366.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O	5412.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #70	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5381.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #71	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5365.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #72	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5325.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #73	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5395.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #74	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5367.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #75	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5386.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #76	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5359.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #77	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5312.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #78	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5388.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #79	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5368.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C	5430.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #80	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5362.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #81	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5319.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #82	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5348.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #83	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5319.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #84	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5270.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #85	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5341.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #86	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5304.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #87	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5365.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #88	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5325.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #89	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O)=CC(O)=C1O	5389.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5376.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #90	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O	5370.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #91	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	5337.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #92	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	5353.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #93	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O)C2O)=CC(O[Si](C)(C)C)=C1O	5389.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #94	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O)C2O)=CC(O)=C1O[Si](C)(C)C	5343.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #95	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O	5373.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #96	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	5338.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #97	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	5360.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #98	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O)=CC(O[Si](C)(C)C)=C1O	5386.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,3TMS,isomer #99	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O)=CC(O)=C1O[Si](C)(C)C	5341.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5171.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5184.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #100	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5169.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #101	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5200.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #102	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5134.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #103	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5076.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #104	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5194.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #105	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5203.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #106	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5140.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #107	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5081.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #108	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5174.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #109	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5084.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5129.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #110	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5019.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #111	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5130.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #112	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5068.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #113	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5154.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #114	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5111.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #115	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O)=CC(O)=C1O	5175.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #116	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O	5155.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #117	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	5099.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #118	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	5136.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #119	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O)C2O)=CC(O[Si](C)(C)C)=C1O	5149.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O	5160.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #120	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O)C2O)=CC(O)=C1O[Si](C)(C)C	5112.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #121	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O	5151.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #122	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	5096.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #123	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	5130.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #124	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O)=CC(O[Si](C)(C)C)=C1O	5141.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #125	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O)=CC(O)=C1O[Si](C)(C)C	5106.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #126	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	5135.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #127	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	5143.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #128	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)=CC(O[Si](C)(C)C)=C1O	5149.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #129	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O[Si](C)(C)C	5113.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O	5190.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #130	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O	5110.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #131	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O	5081.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #132	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C	5054.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #133	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5122.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #134	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5095.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #135	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5165.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #136	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O)C=C1O	5121.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #137	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)C=C1O	5090.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #138	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)C=C1O	5030.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #139	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)C=C1O	5077.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C	5204.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #140	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)C=C1O	5083.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #141	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)C=C1O	5022.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #142	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)C=C1O	5068.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #143	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O	5071.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #144	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O	5086.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #145	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	5054.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #146	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C=C12	5233.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #147	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C=C12	5204.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #148	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C=C12	5221.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #149	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C12	5206.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5128.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #150	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C12	5211.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #151	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C12	5183.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #152	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C12	5209.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #153	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C12	5214.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #154	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C12	5185.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #155	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C12	5221.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #156	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5240.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #157	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5216.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #158	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5231.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #159	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5188.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5066.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #160	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5134.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #161	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5214.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #162	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5219.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #163	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5173.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #164	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5107.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #165	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5195.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #166	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5122.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #167	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5055.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #168	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5159.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #169	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5097.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O	5111.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #170	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5169.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #171	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5131.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #172	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5216.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #173	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5222.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #174	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5167.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #175	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5099.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #176	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5197.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #177	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5117.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #178	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5045.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #179	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5150.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O	5130.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #180	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5088.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #181	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5160.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #182	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5126.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #183	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5229.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #184	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5154.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #185	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5091.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #186	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5165.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #187	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5106.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #188	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5167.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #189	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5133.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C	5151.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #190	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5133.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #191	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5074.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #192	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5106.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #193	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5080.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #194	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5146.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #195	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5119.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #196	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5190.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #197	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O	5192.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #198	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	5154.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #199	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	5175.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5116.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	5227.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #200	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O)=CC(O[Si](C)(C)C)=C1O	5194.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #201	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O)=CC(O)=C1O[Si](C)(C)C	5158.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #202	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	5165.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #203	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	5171.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #204	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)=CC(O[Si](C)(C)C)=C1O	5180.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #205	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O[Si](C)(C)C	5139.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #206	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O	5141.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #207	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O	5121.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #208	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C	5084.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #209	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5152.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	5235.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #210	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5112.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #211	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5182.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #212	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	5167.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #213	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	5175.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #214	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)=CC(O[Si](C)(C)C)=C1O	5176.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #215	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O[Si](C)(C)C	5138.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #216	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O	5142.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #217	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O	5118.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #218	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C	5082.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #219	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5149.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	5246.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #220	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5112.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #221	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5185.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #222	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O	5179.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #223	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O	5156.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #224	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C	5119.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #225	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5166.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #226	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5125.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #227	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5190.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #228	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5128.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #229	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5092.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C	5262.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #230	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5138.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #231	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5160.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #232	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)C=C1O	5145.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #233	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)C=C1O	5094.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #234	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)C=C1O	5128.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #235	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O	5114.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #236	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O	5118.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #237	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	5088.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #238	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O	5110.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #239	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O	5116.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	5207.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #240	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	5085.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #241	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	5139.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #242	C[Si](C)(C)OC1COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5234.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #243	C[Si](C)(C)OC1COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5239.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #244	C[Si](C)(C)OC1COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5241.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #245	C[Si](C)(C)OC1COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5244.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #246	C[Si](C)(C)OC1C(O)COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O[Si](C)(C)C	5215.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	5214.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	5230.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5230.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5249.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5288.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5229.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5207.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5164.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5198.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5151.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O	5181.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O	5202.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C	5216.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5145.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5092.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #39	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O	5135.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5190.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O	5141.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C	5164.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	5238.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #43	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	5247.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #44	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	5254.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #45	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C	5269.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #46	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	5224.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #47	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	5232.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #48	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	5246.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #49	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5248.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O	5217.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #50	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5265.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #51	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5295.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #52	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5203.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #53	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5212.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #54	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5163.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #55	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O	5184.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #56	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O	5219.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #57	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C	5231.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #58	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5168.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #59	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5117.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O	5236.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #60	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O	5141.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #61	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O	5172.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #62	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C	5187.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #63	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	5193.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #64	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	5199.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #65	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	5213.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #66	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C	5227.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #67	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	5169.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #68	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	5176.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #69	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	5189.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C	5248.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #70	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5195.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #71	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5211.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #72	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5256.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #73	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	5155.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #74	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	5156.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #75	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	5166.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #76	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C	5187.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #77	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	5124.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #78	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	5118.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #79	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	5139.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5189.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #80	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5148.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #81	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5170.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #82	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5217.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #83	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	5265.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #84	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	5269.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #85	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	5288.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #86	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5265.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #87	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5286.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #88	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5310.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #89	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5247.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5145.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #90	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5268.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #91	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5296.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #92	C[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5300.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #93	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5227.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #94	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5210.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #95	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5169.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #96	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5201.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #97	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5140.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #98	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5086.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,4TMS,isomer #99	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5212.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5762.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C1O	5800.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C=C12	5821.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5838.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)=CC(O)=C1O	5834.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C=C1O	5843.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O)C(O)C1O	5819.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O)C1O	5799.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O)OCC(O)C1O	5795.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C1OC1OCC(O)C(O)C1O	5809.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5913.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5927.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)=CC(O)=C1O	5921.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #12	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=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C=C1O	5905.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3OC3OCC(O)C(O)C3O)C=C12	5916.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3OC3OCC(O)C(O)C3O)C=C12	5928.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C=C12	5926.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C=C12	5896.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C=C12	5898.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5940.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5948.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5931.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5947.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5920.9	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5920.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	5940.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C1	5927.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC2OCC(O)C(O)C2O)=CC(O)=C1O	5930.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)C(O)C2O)=CC(O)=C1O	5941.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC(O)=C1O	5931.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O	5902.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O	5901.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5926.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	5950.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	5911.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2OC2OCC(O)C(O)C2O)C=C1O	5928.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)C(O)C2O)C=C1O	5935.0	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1O	5923.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	5890.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	5887.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	5919.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	5930.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	5904.4	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5918.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	5931.7	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	5901.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	5910.5	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C(C)(C)C	5894.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	5896.3	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1C(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)OCC(O)C1O	5909.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C1O[Si](C)(C)C(C)(C)C	5933.8	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O	5917.2	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	5896.1	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	5893.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	5922.6	Semi standard non polar	33892256
Delphinidin 3-sambubioside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	5929.0	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0g29-4310190000-07034cbfde8669968cf9	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (1 TMS) - 70eV, Positive	splash10-0udr-5501019000-7ed86a8099f4e9eefe53	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-sambubioside GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Delphinidin 3-sambubioside LC-ESI-QTOF 6V, positive-QTOF	splash10-0udi-0009030000-f6e83589594565a0796a	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Delphinidin 3-sambubioside LC-ESI-QTOF 6V, negative-QTOF	splash10-0udi-0009030000-ec619dcf5b9d8e6ba8d4	2020-07-21	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-sambubioside 10V, Positive-QTOF	splash10-0002-0200090000-0c92e8c6397f35d91f16	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-sambubioside 20V, Positive-QTOF	splash10-0002-1620090000-c207bb922678ddd956b6	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-sambubioside 40V, Positive-QTOF	splash10-03e9-6901010000-b36cd6dcb86812366448	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-sambubioside 10V, Negative-QTOF	splash10-0002-2621090000-3f796cc854cc29b6b220	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-sambubioside 20V, Negative-QTOF	splash10-000t-2900010000-2c908969f74e5185990e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-sambubioside 40V, Negative-QTOF	splash10-0006-9400000000-56165ef0ad8c103e578e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-sambubioside 10V, Positive-QTOF	splash10-004j-0001190000-f46cb434278f5c4314e6	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-sambubioside 20V, Positive-QTOF	splash10-05mk-0306950000-a079fc43dd5f4deecc0d	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-sambubioside 40V, Positive-QTOF	splash10-01dr-8694030000-0334554a2b4efe2589d2	2021-09-24	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

FDB017201

KNApSAcK ID

C00006704

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

74977035

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1701161

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-sambubioside (HMDB0038003)

MOL for HMDB0038003 (Delphinidin 3-sambubioside)

3D MOL for HMDB0038003 (Delphinidin 3-sambubioside)

3D SDF for HMDB0038003 (Delphinidin 3-sambubioside)

3D-SDF for HMDB0038003 (Delphinidin 3-sambubioside)

PDB for HMDB0038003 (Delphinidin 3-sambubioside)

3D PDB for HMDB0038003 (Delphinidin 3-sambubioside)

SMILES for HMDB0038003 (Delphinidin 3-sambubioside)

INCHI for HMDB0038003 (Delphinidin 3-sambubioside)

Structure for HMDB0038003 (Delphinidin 3-sambubioside)

3D Structure for HMDB0038003 (Delphinidin 3-sambubioside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra