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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 22:19:55 UTC

Update Date

2022-03-07 02:55:11 UTC

HMDB ID

HMDB0037089

Secondary Accession Numbers

HMDB37089

Metabolite Identification

Common Name

Delphinidin 3-(6-p-coumaroylgalactoside)

Description

Delphinidin 3-(6-p-coumaroylgalactoside) belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Delphinidin 3-(6-p-coumaroylgalactoside) is found, on average, in the highest concentration within summer grapes (Vitis aestivalis) and grape wine. Delphinidin 3-(6-p-coumaroylgalactoside) has also been detected, but not quantified in, several different foods, such as common grapes (Vitis vinifera), fruits, highbush blueberries (Vaccinium corymbosum), mung beans (Vigna radiata), and rubus (blackberry, raspberry). This could make delphinidin 3-(6-p-coumaroylgalactoside) a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Delphinidin 3-(6-p-coumaroylgalactoside).

Structure

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

  Mrv0541 02241208022D          

 44 48  0  0  0  0            999 V2000
    1.0718   -2.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0718   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5004   -1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0718    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0718    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5004    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868   -5.9813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868   -5.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0718   -4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0718   -3.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868   -3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5004   -3.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2155   -3.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5004   -4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2155   -5.1563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867   -1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005   -3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867   -3.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718   -3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567   -3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568   -3.9188    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -3.2155   -3.9188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867    2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867    3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005    3.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867    5.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718    3.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867    5.9813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 33  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 32  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 43  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 41 44  1  0  0  0  0
 42 43  2  0  0  0  0
M  CHG  1  32   1
M  END

HMDB0037089
     RDKit          3D
Delphinidin 3-(6-p-coumaroylgalactoside)
 71 75  0  0  0  0  0  0  0  0999 V2000
    3.3722   -2.8709    0.0285 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363   -2.0827   -0.8926 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0124   -1.6070   -1.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0855   -1.9559   -0.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4242   -1.4738   -0.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4959   -1.9274   -0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7977   -1.5151   -0.4051 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0322   -0.6334   -1.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3355   -0.1804   -1.7135 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9767   -0.1344   -2.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6857   -0.5878   -1.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5948   -1.6191   -1.6898 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2523   -1.9460   -1.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6743   -1.5231   -0.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6480   -1.7910   -0.0851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3010   -1.2414    1.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2702   -0.3797    0.5632 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3244    0.2908    0.9852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6674    0.3351    2.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7532    1.0467    2.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1070    1.1193    4.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2949    0.4063    5.0603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1895    1.8328    4.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9667    2.5220    3.6814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0324    3.2209    4.2196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6166    2.4457    2.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5404    1.7343    1.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2139    1.6751    0.6409 O   0  0  0  0  0  3  0  0  0  0  0  0
   -4.1589    0.9903    0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9860    1.0419   -1.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9528    0.5412   -1.9775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8981    0.5639   -3.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8219    0.0407   -4.0856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9203    1.1098   -4.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9028    1.1554   -5.5313 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0221    1.6433   -3.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9981    2.1671   -4.2170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0489    1.6080   -2.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3411   -0.6631    2.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3158   -1.7506    2.6495 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7060    0.2151    1.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3819    1.5798    1.6508 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8485   -0.0015   -0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1045    0.4220   -0.4887 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1545   -0.9119   -2.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9427   -2.6488    0.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3747   -2.6411    0.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6222   -1.9285    0.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8136   -0.7676   -2.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1463    0.5462   -2.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8983   -0.1659   -2.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7230   -1.3147   -2.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9721   -2.9828   -1.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3074   -1.9957    0.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8001   -2.0792    1.5786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1099   -0.2025    3.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5660    0.4731    6.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4213    1.8442    5.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9289    2.7734    4.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2248    2.9853    1.6293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1089    0.0999   -1.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0387   -0.3554   -3.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1382    0.8166   -6.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8281    2.5902   -4.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8757    2.0143   -1.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8813   -0.1453    2.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3035   -2.4628    2.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7052    0.0956    1.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0629    1.6919    2.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0392    0.5113   -0.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7073    0.3370    0.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36 38  2  0
 16 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 11  5  1  0
 43 14  1  0
 29 18  1  0
 38 30  1  0
 27 20  1  0
  3 45  1  0
  4 46  1  0
  6 47  1  0
  7 48  1  0
  9 49  1  0
 10 50  1  0
 11 51  1  0
 13 52  1  0
 13 53  1  0
 14 54  1  0
 16 55  1  0
 19 56  1  0
 22 57  1  0
 23 58  1  0
 25 59  1  0
 26 60  1  0
 31 61  1  0
 33 62  1  0
 35 63  1  0
 37 64  1  0
 38 65  1  0
 39 66  1  0
 40 67  1  0
 41 68  1  0
 42 69  1  0
 43 70  1  0
 44 71  1  0
M  CHG  1  28   1
M  END

  Mrv0541 02241208022D          

 44 48  0  0  0  0            999 V2000
    1.0718   -2.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0718   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5004   -1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0718    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0718    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5004    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868   -5.9813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868   -5.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0718   -4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0718   -3.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868   -3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5004   -3.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2155   -3.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5004   -4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2155   -5.1563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867   -1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5005   -3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867   -3.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0718   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567   -3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568   -3.9188    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -3.2155   -3.9188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867    2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867    3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005    3.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867    5.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718    3.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867    5.9813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 33  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 32  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 43  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 41 44  1  0  0  0  0
 42 43  2  0  0  0  0
M  CHG  1  32   1
M  END
> <DATABASE_ID>
HMDB0037089

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C30H26O14/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1

> <INCHI_KEY>
DHTPVCYNNWQRMN-UHFFFAOYSA-O

> <FORMULA>
C30H27O14

> <MOLECULAR_WEIGHT>
611.527

> <EXACT_MASS>
611.140080572

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
59.03901845807036

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium

> <ALOGPS_LOGP>
3.08

> <JCHEM_LOGP>
3.5162999999999993

> <ALOGPS_LOGS>
-3.75

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.290540311325717

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.366206630280113

> <JCHEM_PKA_STRONGEST_BASIC>
-3.678969695794679

> <JCHEM_POLAR_SURFACE_AREA>
239.96999999999997

> <JCHEM_REFRACTIVITY>
159.78699999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.14e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037089
     RDKit          3D
Delphinidin 3-(6-p-coumaroylgalactoside)
 71 75  0  0  0  0  0  0  0  0999 V2000
    3.3722   -2.8709    0.0285 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363   -2.0827   -0.8926 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0124   -1.6070   -1.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0855   -1.9559   -0.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4242   -1.4738   -0.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4959   -1.9274   -0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7977   -1.5151   -0.4051 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0322   -0.6334   -1.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3355   -0.1804   -1.7135 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9767   -0.1344   -2.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6857   -0.5878   -1.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5948   -1.6191   -1.6898 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2523   -1.9460   -1.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6743   -1.5231   -0.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6480   -1.7910   -0.0851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3010   -1.2414    1.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2702   -0.3797    0.5632 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3244    0.2908    0.9852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6674    0.3351    2.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7532    1.0467    2.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1070    1.1193    4.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2949    0.4063    5.0603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1895    1.8328    4.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9667    2.5220    3.6814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0324    3.2209    4.2196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6166    2.4457    2.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5404    1.7343    1.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2139    1.6751    0.6409 O   0  0  0  0  0  3  0  0  0  0  0  0
   -4.1589    0.9903    0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9860    1.0419   -1.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9528    0.5412   -1.9775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8981    0.5639   -3.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8219    0.0407   -4.0856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9203    1.1098   -4.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9028    1.1554   -5.5313 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0221    1.6433   -3.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9981    2.1671   -4.2170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0489    1.6080   -2.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3411   -0.6631    2.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3158   -1.7506    2.6495 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7060    0.2151    1.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3819    1.5798    1.6508 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8485   -0.0015   -0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1045    0.4220   -0.4887 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1545   -0.9119   -2.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9427   -2.6488    0.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3747   -2.6411    0.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6222   -1.9285    0.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8136   -0.7676   -2.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1463    0.5462   -2.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8983   -0.1659   -2.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7230   -1.3147   -2.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9721   -2.9828   -1.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3074   -1.9957    0.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8001   -2.0792    1.5786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1099   -0.2025    3.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5660    0.4731    6.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4213    1.8442    5.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9289    2.7734    4.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2248    2.9853    1.6293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1089    0.0999   -1.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0387   -0.3554   -3.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1382    0.8166   -6.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8281    2.5902   -4.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8757    2.0143   -1.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8813   -0.1453    2.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3035   -2.4628    2.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7052    0.0956    1.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0629    1.6919    2.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0392    0.5113   -0.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7073    0.3370    0.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36 38  2  0
 16 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 11  5  1  0
 43 14  1  0
 29 18  1  0
 38 30  1  0
 27 20  1  0
  3 45  1  0
  4 46  1  0
  6 47  1  0
  7 48  1  0
  9 49  1  0
 10 50  1  0
 11 51  1  0
 13 52  1  0
 13 53  1  0
 14 54  1  0
 16 55  1  0
 19 56  1  0
 22 57  1  0
 23 58  1  0
 25 59  1  0
 26 60  1  0
 31 61  1  0
 33 62  1  0
 35 63  1  0
 37 64  1  0
 38 65  1  0
 39 66  1  0
 40 67  1  0
 41 68  1  0
 42 69  1  0
 43 70  1  0
 44 71  1  0
M  CHG  1  28   1
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0       2.001  -4.235   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.001  -2.695   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       0.666  -1.925   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       0.666  -0.385   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.666   0.385   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -0.666   1.925   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       4.667  -2.695   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       3.335  -1.925   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.335  -0.385   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.001   0.385   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.001   1.925   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       4.667   0.385   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       3.335 -11.165   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       3.335  -9.625   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.001  -8.855   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.001  -7.315   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.335  -6.545   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.667  -7.315   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       6.002  -6.545   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       4.667  -8.855   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.002  -9.625   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -3.335  -2.695   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -3.335  -4.235   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -4.668  -5.005   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -4.668  -6.545   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -3.335  -7.315   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.001  -6.545   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -2.001  -5.005   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -0.666  -4.235   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.666  -5.005   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.666  -6.545   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -0.666  -7.315   0.000  0.00  0.00           O+1
HETATM   33  O   UNK     0      -6.002  -7.315   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -3.335   1.925   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -2.001   2.695   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -2.001   4.235   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -3.335   5.005   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -3.335   6.545   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -4.668   7.315   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -4.668   8.855   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -3.335   9.625   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -2.001   8.855   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -2.001   7.315   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -3.335  11.165   0.000  0.00  0.00           O+0
CONECT    1    2   30                                                       
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   10                                                  
CONECT    5    4    6                                                       
CONECT    6    5   35                                                       
CONECT    7    8                                                            
CONECT    8    2    7    9                                                  
CONECT    9    8   10   12                                                  
CONECT   10    4    9   11                                                  
CONECT   11   10                                                            
CONECT   12    9                                                            
CONECT   13   14                                                            
CONECT   14   13   15   20                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   31                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   14   18   21                                                  
CONECT   21   20                                                            
CONECT   22   23                                                            
CONECT   23   22   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   33                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   32                                                  
CONECT   28   23   27   29                                                  
CONECT   29   28   30                                                       
CONECT   30    1   29   31                                                  
CONECT   31   16   30   32                                                  
CONECT   32   27   31                                                       
CONECT   33   25                                                            
CONECT   34   35                                                            
CONECT   35    6   34   36                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   43                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42   44                                                  
CONECT   42   41   43                                                       
CONECT   43   38   42                                                       
CONECT   44   41                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

COMPND    HMDB0037089
HETATM    1  O1  UNL     1       3.372  -2.871   0.029  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.636  -2.083  -0.893  1.00  0.00           C  
HETATM    3  C2  UNL     1       5.012  -1.607  -1.196  1.00  0.00           C  
HETATM    4  C3  UNL     1       6.085  -1.956  -0.541  1.00  0.00           C  
HETATM    5  C4  UNL     1       7.424  -1.474  -0.857  1.00  0.00           C  
HETATM    6  C5  UNL     1       8.496  -1.927  -0.139  1.00  0.00           C  
HETATM    7  C6  UNL     1       9.798  -1.515  -0.405  1.00  0.00           C  
HETATM    8  C7  UNL     1      10.032  -0.633  -1.405  1.00  0.00           C  
HETATM    9  O2  UNL     1      11.335  -0.180  -1.714  1.00  0.00           O  
HETATM   10  C8  UNL     1       8.977  -0.134  -2.176  1.00  0.00           C  
HETATM   11  C9  UNL     1       7.686  -0.588  -1.858  1.00  0.00           C  
HETATM   12  O3  UNL     1       2.595  -1.619  -1.690  1.00  0.00           O  
HETATM   13  C10 UNL     1       1.252  -1.946  -1.552  1.00  0.00           C  
HETATM   14  C11 UNL     1       0.674  -1.523  -0.217  1.00  0.00           C  
HETATM   15  O4  UNL     1      -0.648  -1.791  -0.085  1.00  0.00           O  
HETATM   16  C12 UNL     1      -1.301  -1.241   1.001  1.00  0.00           C  
HETATM   17  O5  UNL     1      -2.270  -0.380   0.563  1.00  0.00           O  
HETATM   18  C13 UNL     1      -3.324   0.291   0.985  1.00  0.00           C  
HETATM   19  C14 UNL     1      -3.667   0.335   2.363  1.00  0.00           C  
HETATM   20  C15 UNL     1      -4.753   1.047   2.801  1.00  0.00           C  
HETATM   21  C16 UNL     1      -5.107   1.119   4.146  1.00  0.00           C  
HETATM   22  O6  UNL     1      -4.295   0.406   5.060  1.00  0.00           O  
HETATM   23  C17 UNL     1      -6.190   1.833   4.631  1.00  0.00           C  
HETATM   24  C18 UNL     1      -6.967   2.522   3.681  1.00  0.00           C  
HETATM   25  O7  UNL     1      -8.032   3.221   4.220  1.00  0.00           O  
HETATM   26  C19 UNL     1      -6.617   2.446   2.369  1.00  0.00           C  
HETATM   27  C20 UNL     1      -5.540   1.734   1.898  1.00  0.00           C  
HETATM   28  O8  UNL     1      -5.214   1.675   0.641  1.00  0.00           O1+
HETATM   29  C21 UNL     1      -4.159   0.990   0.170  1.00  0.00           C  
HETATM   30  C22 UNL     1      -3.986   1.042  -1.304  1.00  0.00           C  
HETATM   31  C23 UNL     1      -2.953   0.541  -1.978  1.00  0.00           C  
HETATM   32  C24 UNL     1      -2.898   0.564  -3.390  1.00  0.00           C  
HETATM   33  O9  UNL     1      -1.822   0.041  -4.086  1.00  0.00           O  
HETATM   34  C25 UNL     1      -3.920   1.110  -4.143  1.00  0.00           C  
HETATM   35  O10 UNL     1      -3.903   1.155  -5.531  1.00  0.00           O  
HETATM   36  C26 UNL     1      -5.022   1.643  -3.444  1.00  0.00           C  
HETATM   37  O11 UNL     1      -5.998   2.167  -4.217  1.00  0.00           O  
HETATM   38  C27 UNL     1      -5.049   1.608  -2.054  1.00  0.00           C  
HETATM   39  C28 UNL     1      -0.341  -0.663   2.018  1.00  0.00           C  
HETATM   40  O12 UNL     1       0.316  -1.751   2.650  1.00  0.00           O  
HETATM   41  C29 UNL     1       0.706   0.215   1.438  1.00  0.00           C  
HETATM   42  O13 UNL     1       0.382   1.580   1.651  1.00  0.00           O  
HETATM   43  C30 UNL     1       0.848  -0.001  -0.058  1.00  0.00           C  
HETATM   44  O14 UNL     1       2.104   0.422  -0.489  1.00  0.00           O  
HETATM   45  H1  UNL     1       5.155  -0.912  -2.036  1.00  0.00           H  
HETATM   46  H2  UNL     1       5.943  -2.649   0.287  1.00  0.00           H  
HETATM   47  H3  UNL     1       8.375  -2.641   0.674  1.00  0.00           H  
HETATM   48  H4  UNL     1      10.622  -1.928   0.211  1.00  0.00           H  
HETATM   49  H5  UNL     1      11.814  -0.768  -2.419  1.00  0.00           H  
HETATM   50  H6  UNL     1       9.146   0.546  -2.958  1.00  0.00           H  
HETATM   51  H7  UNL     1       6.898  -0.166  -2.485  1.00  0.00           H  
HETATM   52  H8  UNL     1       0.723  -1.315  -2.350  1.00  0.00           H  
HETATM   53  H9  UNL     1       0.972  -2.983  -1.768  1.00  0.00           H  
HETATM   54  H10 UNL     1       1.307  -1.996   0.591  1.00  0.00           H  
HETATM   55  H11 UNL     1      -1.800  -2.079   1.579  1.00  0.00           H  
HETATM   56  H12 UNL     1      -3.110  -0.203   3.074  1.00  0.00           H  
HETATM   57  H13 UNL     1      -4.566   0.473   6.030  1.00  0.00           H  
HETATM   58  H14 UNL     1      -6.421   1.844   5.678  1.00  0.00           H  
HETATM   59  H15 UNL     1      -8.929   2.773   4.325  1.00  0.00           H  
HETATM   60  H16 UNL     1      -7.225   2.985   1.629  1.00  0.00           H  
HETATM   61  H17 UNL     1      -2.109   0.100  -1.482  1.00  0.00           H  
HETATM   62  H18 UNL     1      -1.039  -0.355  -3.615  1.00  0.00           H  
HETATM   63  H19 UNL     1      -3.138   0.817  -6.087  1.00  0.00           H  
HETATM   64  H20 UNL     1      -6.828   2.590  -4.258  1.00  0.00           H  
HETATM   65  H21 UNL     1      -5.876   2.014  -1.522  1.00  0.00           H  
HETATM   66  H22 UNL     1      -0.881  -0.145   2.799  1.00  0.00           H  
HETATM   67  H23 UNL     1      -0.303  -2.463   2.882  1.00  0.00           H  
HETATM   68  H24 UNL     1       1.705   0.096   1.881  1.00  0.00           H  
HETATM   69  H25 UNL     1       0.063   1.692   2.605  1.00  0.00           H  
HETATM   70  H26 UNL     1       0.039   0.511  -0.614  1.00  0.00           H  
HETATM   71  H27 UNL     1       2.707   0.337   0.318  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   12
CONECT    3    4    4   45
CONECT    4    5   46
CONECT    5    6    6   11
CONECT    6    7   47
CONECT    7    8    8   48
CONECT    8    9   10
CONECT    9   49
CONECT   10   11   11   50
CONECT   11   51
CONECT   12   13
CONECT   13   14   52   53
CONECT   14   15   43   54
CONECT   15   16
CONECT   16   17   39   55
CONECT   17   18
CONECT   18   19   19   29
CONECT   19   20   56
CONECT   20   21   21   27
CONECT   21   22   23
CONECT   22   57
CONECT   23   24   24   58
CONECT   24   25   26
CONECT   25   59
CONECT   26   27   27   60
CONECT   27   28
CONECT   28   29   29
CONECT   29   30
CONECT   30   31   31   38
CONECT   31   32   61
CONECT   32   33   34   34
CONECT   33   62
CONECT   34   35   36
CONECT   35   63
CONECT   36   37   38   38
CONECT   37   64
CONECT   38   65
CONECT   39   40   41   66
CONECT   40   67
CONECT   41   42   43   68
CONECT   42   69
CONECT   43   44   70
CONECT   44   71
END

HMDB0037089
     RDKit          3D
Delphinidin 3-(6-p-coumaroylgalactoside)
 71 75  0  0  0  0  0  0  0  0999 V2000
    3.3722   -2.8709    0.0285 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363   -2.0827   -0.8926 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0124   -1.6070   -1.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0855   -1.9559   -0.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4242   -1.4738   -0.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4959   -1.9274   -0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7977   -1.5151   -0.4051 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0322   -0.6334   -1.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3355   -0.1804   -1.7135 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9767   -0.1344   -2.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6857   -0.5878   -1.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5948   -1.6191   -1.6898 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2523   -1.9460   -1.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6743   -1.5231   -0.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6480   -1.7910   -0.0851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3010   -1.2414    1.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2702   -0.3797    0.5632 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3244    0.2908    0.9852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6674    0.3351    2.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7532    1.0467    2.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1070    1.1193    4.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2949    0.4063    5.0603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1895    1.8328    4.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9667    2.5220    3.6814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0324    3.2209    4.2196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6166    2.4457    2.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5404    1.7343    1.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2139    1.6751    0.6409 O   0  0  0  0  0  3  0  0  0  0  0  0
   -4.1589    0.9903    0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9860    1.0419   -1.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9528    0.5412   -1.9775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8981    0.5639   -3.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8219    0.0407   -4.0856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9203    1.1098   -4.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9028    1.1554   -5.5313 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0221    1.6433   -3.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9981    2.1671   -4.2170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0489    1.6080   -2.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3411   -0.6631    2.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3158   -1.7506    2.6495 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7060    0.2151    1.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3819    1.5798    1.6508 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8485   -0.0015   -0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1045    0.4220   -0.4887 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1545   -0.9119   -2.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9427   -2.6488    0.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3747   -2.6411    0.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6222   -1.9285    0.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8136   -0.7676   -2.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1463    0.5462   -2.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8983   -0.1659   -2.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7230   -1.3147   -2.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9721   -2.9828   -1.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3074   -1.9957    0.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8001   -2.0792    1.5786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1099   -0.2025    3.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5660    0.4731    6.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4213    1.8442    5.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9289    2.7734    4.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2248    2.9853    1.6293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1089    0.0999   -1.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0387   -0.3554   -3.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1382    0.8166   -6.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8281    2.5902   -4.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8757    2.0143   -1.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8813   -0.1453    2.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3035   -2.4628    2.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7052    0.0956    1.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0629    1.6919    2.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0392    0.5113   -0.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7073    0.3370    0.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36 38  2  0
 16 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 11  5  1  0
 43 14  1  0
 29 18  1  0
 38 30  1  0
 27 20  1  0
  3 45  1  0
  4 46  1  0
  6 47  1  0
  7 48  1  0
  9 49  1  0
 10 50  1  0
 11 51  1  0
 13 52  1  0
 13 53  1  0
 14 54  1  0
 16 55  1  0
 19 56  1  0
 22 57  1  0
 23 58  1  0
 25 59  1  0
 26 60  1  0
 31 61  1  0
 33 62  1  0
 35 63  1  0
 37 64  1  0
 38 65  1  0
 39 66  1  0
 40 67  1  0
 41 68  1  0
 42 69  1  0
 43 70  1  0
 44 71  1  0
M  CHG  1  28   1
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Delphinidin 3-O-beta-D-(6-O-(e)-P-coumaryl)galactopyranoside	HMDB

Chemical Formula

C₃₀H₂₇O₁₄

Average Molecular Weight

611.527

Monoisotopic Molecular Weight

611.140080572

IUPAC Name

5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium

Traditional Name

5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium

CAS Registry Number

339080-03-4

SMILES

OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O)C1O

InChI Identifier

InChI=1S/C30H26O14/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1

InChI Key

DHTPVCYNNWQRMN-UHFFFAOYSA-O

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-3-O-glycosides

Alternative Parents

Substituents

Flavonoid-3-o-glycoside
Hydroxyflavonoid
3'-hydroxyflavonoid
4'-hydroxyflavonoid
7-hydroxyflavonoid
Hydroxycinnamic acid or derivatives
Cinnamic acid
Cinnamic acid or derivatives
Coumaric acid
Coumaric acid or derivatives
Hydroxycinnamic acid
O-glycosyl compound
Glycosyl compound
Benzopyran
1-benzopyran
Benzenetriol
Pyrogallol derivative
Styrene
Phenol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Benzenoid
Oxane
Monosaccharide
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Polyol
Acetal
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Carboxylic acid derivative
Carboximidic acid
Oxacycle
Organic oxide
Organooxygen compound
Carbonyl group
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Organic cation
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Membrane (HMDB: HMDB37089)
Cell membrane (HMDB: HMDB37089)

Route of exposure

Enteral

Ingestion (HMDB: HMDB37089)

Source

Exogenous

Exogenous (HMDB: HMDB37089)

Food

Food (HMDB: HMDB37089)

Pulse

Bean

Mung bean (FooDB: FOOD00200)

Fruit

Berry

Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)
Common grape (FooDB: FOOD00204)
Highbush blueberry (FooDB: FOOD00191)
Summer grape (FooDB: FOOD00227)

Fruits (FooDB: FOOD00871)

Beverage

Fermented beverage

Grape wine (FooDB: FOOD00612)

Endogenous

Plant

Plant (HMDB: HMDB37089)
Fabaceae (HMDB: HMDB37089)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB37089)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.11 g/L	ALOGPS
logP	3.08	ALOGPS
logP	3.52	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	6.37	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	239.97 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	159.79 m³·mol⁻¹	ChemAxon
Polarizability	59.04 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]+	234.351	30932474
DeepCCS	[M-H]-	232.526	30932474
DeepCCS	[M-2H]-	265.768	30932474
DeepCCS	[M+Na]+	239.957	30932474
AllCCS	[M+H]+	236.0	32859911
AllCCS	[M+H-H2O]+	234.8	32859911
AllCCS	[M+NH4]+	237.1	32859911
AllCCS	[M+Na]+	237.4	32859911
AllCCS	[M-H]-	229.1	32859911
AllCCS	[M+Na-2H]-	231.0	32859911
AllCCS	[M+HCOO]-	233.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Delphinidin 3-(6-p-coumaroylgalactoside)	OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O)C1O	9120.4	Standard polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside)	OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O)C1O	5707.0	Standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside)	OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O)C1O	6244.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Delphinidin 3-(6-p-coumaroylgalactoside),1TMS,isomer #1	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C=C2)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O)C1O	5996.8	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),1TMS,isomer #2	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C=C1	6075.6	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),1TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O)C=C12	6010.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),1TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	6055.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),1TMS,isomer #5	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(O)=C1O	6017.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),1TMS,isomer #6	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)C=C1O	5941.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),1TMS,isomer #7	C[Si](C)(C)OC1C(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C1O	6000.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),1TMS,isomer #8	C[Si](C)(C)OC1C(O)C(COC(=O)/C=C/C2=CC=C(O)C=C2)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C1O	5999.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #1	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C=C1	5929.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #10	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C=C1	5958.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #11	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)C=C1	5874.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #12	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C=C1	5945.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #13	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C=C1	5917.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #14	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5881.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #15	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(O)=C1O	5894.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #16	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)C=C1O	5818.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)C=C12	5870.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)C=C12	5889.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5894.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)C=C12	5876.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5916.8	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5910.0	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5831.6	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #23	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	5884.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #24	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	5903.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #25	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(O[Si](C)(C)C)=C1O	5934.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #26	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(O)=C1O[Si](C)(C)C	5835.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #27	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O)C=C1O	5815.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #28	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C)C=C1O	5837.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #29	C[Si](C)(C)OC1C(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C1O[Si](C)(C)C	5900.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5908.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #4	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O	5893.6	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #5	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O)C=C1O	5820.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #6	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C=C2)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C1O	5929.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #7	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C=C2)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C	5893.6	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #8	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C=C1	5931.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TMS,isomer #9	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C=C1	5950.0	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #1	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C=C1	5699.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C12	5711.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C12	5757.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #12	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5734.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5777.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5664.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5594.8	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #16	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	5711.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #17	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	5761.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #18	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O)=CC(O[Si](C)(C)C)=C1O	5715.8	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #19	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O[Si](C)(C)C	5630.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #2	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C=C1	5719.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #20	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O	5637.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #21	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O	5680.6	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #22	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C=C2)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5832.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #23	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C=C1	5687.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #24	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C=C1	5674.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #25	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)C=C1	5621.6	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #26	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C=C1	5727.9	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #27	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C=C1	5679.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #28	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C=C1	5692.0	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #29	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)C=C1	5636.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #3	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)C=C1	5703.9	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #30	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C=C1	5744.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #31	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C=C1	5690.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #32	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C=C1	5734.9	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #33	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C=C1	5656.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #34	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)C=C1	5726.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #35	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)C=C1	5676.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #36	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C=C1	5657.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #37	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C=C1	5591.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #38	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1	5765.9	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #39	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5644.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #4	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C=C1	5632.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #40	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5695.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #41	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5619.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #42	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5565.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #43	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	5619.6	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #44	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	5670.9	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #45	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(O[Si](C)(C)C)=C1O	5673.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #46	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(O)=C1O[Si](C)(C)C	5604.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #47	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O)C=C1O	5546.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #48	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C)C=C1O	5607.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #49	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C12	5729.8	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #5	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1	5796.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #50	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5749.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #51	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5630.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #52	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5554.0	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #53	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5690.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #54	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5619.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #55	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O)C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5687.0	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #56	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5613.9	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #57	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O	5729.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #58	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O	5690.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #59	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C	5612.9	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #6	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	5758.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #60	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5745.9	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #61	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5659.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #62	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5696.0	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #63	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	5656.8	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #7	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5666.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #8	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O	5644.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),3TMS,isomer #9	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O)C=C1O	5581.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #1	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C=C1	5532.8	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #10	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)C=C1	5538.8	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #11	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)C=C1	5487.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #12	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1	5593.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #13	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	5555.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #14	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1	5516.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #15	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	5482.8	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #16	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	5699.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #17	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5541.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #18	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5576.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #19	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5437.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #2	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)C=C1	5476.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #20	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5382.8	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #21	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(O)=C1O	5499.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #22	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(O)=C1O	5536.6	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #23	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O)=CC(O[Si](C)(C)C)=C1O	5479.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #24	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O[Si](C)(C)C	5429.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #25	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O	5438.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #26	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O	5468.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #27	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C12	5651.9	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #28	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(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	5675.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #29	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(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	5508.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #3	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C=C1	5419.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(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	5454.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #31	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(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	5548.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #32	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(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	5482.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #33	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(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	5496.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #34	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(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	5445.6	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #35	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O	5637.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #36	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O	5563.8	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #37	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C	5516.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #38	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5590.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #39	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5543.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #4	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1	5612.0	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #40	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5545.9	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #41	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	5572.6	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #42	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C=C1	5440.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #43	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)C=C1	5400.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #44	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C=C1	5566.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #45	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C=C1	5486.6	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #46	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C=C1	5489.8	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #47	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C=C1	5436.8	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #48	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)C=C1	5510.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #49	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)C=C1	5428.6	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #5	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	5576.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #50	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C=C1	5440.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #51	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C=C1	5385.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #52	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1	5597.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #53	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C=C1	5508.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #54	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C=C1	5456.8	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #55	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)C=C1	5527.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #56	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)C=C1	5444.0	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #57	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C=C1	5455.8	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #58	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C=C1	5396.6	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #59	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1	5615.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #6	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)C=C1	5494.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #60	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C=C1	5566.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #61	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)C=C1	5573.0	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #62	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)C=C1	5494.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #63	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)C=C1	5517.0	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #64	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)C=C1	5445.8	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #65	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1	5570.8	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #66	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1	5494.9	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #67	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	5555.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #68	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5386.0	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #69	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5339.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #7	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C=C1	5435.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #70	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5461.9	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #71	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	5399.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #72	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O)C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5447.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #73	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	5392.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #74	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O	5509.6	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #75	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O	5431.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #76	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C	5382.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #77	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5506.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #78	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5455.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #79	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5490.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #8	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1	5630.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #80	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	5446.0	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #81	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(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	5519.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #82	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(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	5459.9	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #83	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(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	5447.0	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #84	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(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	5400.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #85	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(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	5524.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #86	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(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	5470.0	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #87	C[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(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	5511.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #88	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5571.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #89	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5522.8	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #9	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O[Si](C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	5593.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #90	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5521.0	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),4TMS,isomer #91	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5566.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C=C2)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O)C1O	6273.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C=C1	6313.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O)C=C12	6254.6	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	6282.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(O)=C1O	6266.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)C=C1O	6234.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C1O	6281.0	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(O)C(COC(=O)/C=C/C2=CC=C(O)C=C2)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C1O	6271.0	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1	6432.8	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)C=C1	6447.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O)C=C1	6385.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1	6458.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1	6436.5	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	6375.6	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(O)=C1O	6371.6	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #16	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(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)C=C1O	6316.8	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),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(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C=C12	6380.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C=C12	6408.9	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	6414.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C=C12	6381.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	6441.0	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	6407.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)C(O)C3O)C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C1	6349.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O	6399.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O	6423.9	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	6419.7	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	6355.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	6338.2	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	6359.6	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1C(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C1O[Si](C)(C)C(C)(C)C	6436.0	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(OC3OC(COC(=O)/C=C/C4=CC=C(O)C=C4)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	6414.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC(O)=C1O	6401.1	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1O	6337.4	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C=C2)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O	6442.3	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C=C2)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C(C)(C)C	6421.6	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C=C1	6424.6	Semi standard non polar	33892256
Delphinidin 3-(6-p-coumaroylgalactoside),2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C=C1	6454.9	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-(6-p-coumaroylgalactoside) GC-MS (Non-derivatized) - 70eV, Positive	splash10-053f-6496430000-9e4e7bbb38a3e5b256d0	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-(6-p-coumaroylgalactoside) GC-MS (1 TMS) - 70eV, Positive	splash10-0cki-4917034000-70560e53cf2c019dd649	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-(6-p-coumaroylgalactoside) 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-(6-p-coumaroylgalactoside) 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-(6-p-coumaroylgalactoside) 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-(6-p-coumaroylgalactoside) 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-(6-p-coumaroylgalactoside) 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-(6-p-coumaroylgalactoside) 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-(6-p-coumaroylgalactoside) 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-(6-p-coumaroylgalactoside) 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-(6-p-coumaroylgalactoside) 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-(6-p-coumaroylgalactoside) 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-(6-p-coumaroylgalactoside) 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-(6-p-coumaroylgalactoside) 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-(6-p-coumaroylgalactoside) 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-(6-p-coumaroylgalactoside) 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-(6-p-coumaroylgalactoside) 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-(6-p-coumaroylgalactoside) 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-(6-p-coumaroylgalactoside) 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-(6-p-coumaroylgalactoside) 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-(6-p-coumaroylgalactoside) 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-(6-p-coumaroylgalactoside) 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-(6-p-coumaroylgalactoside) GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-(6-p-coumaroylgalactoside) GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-(6-p-coumaroylgalactoside) GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-(6-p-coumaroylgalactoside) 10V, Positive-QTOF	splash10-03di-0000009000-8e53288d22819bc00aa8	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-(6-p-coumaroylgalactoside) 20V, Positive-QTOF	splash10-014i-0000009000-a80c634c9d6a072263b0	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-(6-p-coumaroylgalactoside) 40V, Positive-QTOF	splash10-0udi-0924006000-c95b16a92aad8078a71e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-(6-p-coumaroylgalactoside) 10V, Negative-QTOF	splash10-03di-0000009000-df4ecf77dd14a5367957	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-(6-p-coumaroylgalactoside) 20V, Negative-QTOF	splash10-03di-1000009000-3c05571308dc0260f877	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-(6-p-coumaroylgalactoside) 40V, Negative-QTOF	splash10-056r-7920000000-4b1c5538034feb0ae6fd	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-(6-p-coumaroylgalactoside) 10V, Positive-QTOF	splash10-0r01-0309014000-90859e4379e667ab9cd9	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-(6-p-coumaroylgalactoside) 20V, Positive-QTOF	splash10-0zfr-0209111000-4ce34df52489c39fa732	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-(6-p-coumaroylgalactoside) 40V, Positive-QTOF	splash10-014i-0922110000-2530295ac4ebcfd2c0a5	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Membrane

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB017204

KNApSAcK ID

C00006878

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

74977041

PDB ID

Not Available

ChEBI ID

169205

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Delphinidin 3-(6-p-coumaroylgalactoside) (HMDB0037089)

MOL for HMDB0037089 (Delphinidin 3-(6-p-coumaroylgalactoside))

3D MOL for HMDB0037089 (Delphinidin 3-(6-p-coumaroylgalactoside))

3D SDF for HMDB0037089 (Delphinidin 3-(6-p-coumaroylgalactoside))

3D-SDF for HMDB0037089 (Delphinidin 3-(6-p-coumaroylgalactoside))

PDB for HMDB0037089 (Delphinidin 3-(6-p-coumaroylgalactoside))

3D PDB for HMDB0037089 (Delphinidin 3-(6-p-coumaroylgalactoside))

SMILES for HMDB0037089 (Delphinidin 3-(6-p-coumaroylgalactoside))

INCHI for HMDB0037089 (Delphinidin 3-(6-p-coumaroylgalactoside))

Structure for HMDB0037089 (Delphinidin 3-(6-p-coumaroylgalactoside))

3D Structure for HMDB0037089 (Delphinidin 3-(6-p-coumaroylgalactoside))

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra