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Showing metabocard for Delphinidin 3,5-diglucoside (HMDB0030693)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:38:28 UTC
Update Date2022-03-07 02:52:39 UTC
HMDB IDHMDB0030693
Secondary Accession Numbers
  • HMDB30693
Metabolite Identification
Common NameDelphinidin 3,5-diglucoside
DescriptionDelphinidin 3,5-diglucoside, also known as delphin, belongs to the class of organic compounds known as anthocyanidin-5-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position. Delphinidin 3,5-diglucoside is found, on average, in the highest concentration within pomegranates (Punica granatum). Delphinidin 3,5-diglucoside has also been detected, but not quantified in, several different foods, such as green beans (Phaseolus vulgaris), common peas (Pisum sativum), yellow wax beans (Phaseolus vulgaris), fruits, and chicories (Cichorium intybus). This could make delphinidin 3,5-diglucoside a potential biomarker for the consumption of these foods. Delphinidin 3,5-diglucoside is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review very few articles have been published on Delphinidin 3,5-diglucoside.
Structure
Data?1563862023
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0030693 (Delphinidin 3,5-diglucoside)

Delphinidin 3,5-0-diglucoside
  Mrv1652309231718082D          

 44 48  0  0  1  0            999 V2000
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4749    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0012   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0012   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868   -4.9499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579   -2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0012    1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0012    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0012   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -4.9499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  0  0  0  0
 17 26  1  0  0  0  0
 26 27  1  1  0  0  0
 15 28  1  0  0  0  0
 28 29  2  0  0  0  0
  7 29  1  0  0  0  0
 12 29  1  0  0  0  0
 14 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 30 38  1  0  0  0  0
  5 39  1  0  0  0  0
 39 40  1  6  0  0  0
 39 41  1  0  0  0  0
 41 42  1  1  0  0  0
 41 43  1  0  0  0  0
  3 43  1  0  0  0  0
 43 44  1  6  0  0  0
M  CHG  1  13   1
M  END
Download

3D MOL for HMDB0030693 (Delphinidin 3,5-diglucoside)

HMDB0030693
     RDKit          3D
Delphinidin 3,5-diglucoside
 75 79  0  0  0  0  0  0  0  0999 V2000
   -0.6052   -2.8569   -4.4201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1898   -1.6878   -3.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3760   -1.8936   -2.4150 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9559   -0.7261   -1.9113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1012   -0.8606   -0.4878 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3220    0.4029    0.0239 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4358    1.3270    0.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0666    1.0203    0.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.9492    0.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2342    1.6578    0.7775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5362    0.4290    0.2249 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8146   -0.0339   -0.1133 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7666   -0.5004   -1.3877 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0938   -1.7842   -1.6566 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9636   -2.7911   -1.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3594   -4.0766   -1.7831 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3557   -2.2834   -1.0257 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4441   -2.2757   -1.9319 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7062   -1.5469    0.2331 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4801   -2.2591    1.1175 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4299   -0.9899    0.8666 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9042   -0.2588    1.9775 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1923    2.5497    1.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7267    3.7564    1.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6777    4.6745    2.1896 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3961    4.0805    1.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4507    3.1465    1.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8148    3.3837    1.4435 O   0  0  0  0  0  3  0  0  0  0  0  0
   -1.7673    2.5378    1.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1211    2.9816    1.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2051    2.3196    0.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5205    2.7564    0.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5333    1.9747    0.3892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7649    3.8967    1.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0635    4.3768    1.8085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6753    4.6343    2.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9557    5.7908    2.7680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4037    4.1710    1.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1919   -1.8565   -0.3142 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6254   -2.0294    0.9904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7053   -3.2078   -0.8058 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6857   -4.1915   -0.6545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2903   -3.0859   -2.2448 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5761   -4.2193   -2.6418 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2175   -3.1019   -3.9372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5047   -0.8430   -4.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1745   -1.5885   -4.3684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4201   -2.1339   -1.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1103   -1.3241   -0.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2864    0.1101    0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4730    0.8960   -0.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3059   -1.8153   -2.7755 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1203   -2.5127   -2.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5367   -2.7670   -0.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3175   -4.6833   -0.9997 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2119   -3.3532   -0.7628 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1537   -2.6047   -2.8178 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2901   -0.6404   -0.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2178   -1.6891    1.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7622   -1.7424    1.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3159   -0.8904    2.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2399    2.3360    1.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4047    5.5651    2.5823 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227    4.9968    2.2469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0980    1.4055    0.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5034    2.1612    0.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8606    3.8658    1.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9084    6.0783    2.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5843    4.7642    2.2643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1006   -1.6210   -0.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6239   -1.9736    1.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8266   -3.5412   -0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6068   -3.8098   -0.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1483   -2.9120   -2.9266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8520   -5.0337   -2.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 10 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
  5 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 43  3  1  0
 29  7  1  0
 38 30  1  0
 27  9  1  0
 21 12  1  0
  1 45  1  0
  2 46  1  0
  2 47  1  0
  3 48  1  1
  5 49  1  1
  8 50  1  0
 12 51  1  6
 14 52  1  6
 15 53  1  0
 15 54  1  0
 16 55  1  0
 17 56  1  1
 18 57  1  0
 19 58  1  6
 20 59  1  0
 21 60  1  1
 22 61  1  0
 23 62  1  0
 25 63  1  0
 26 64  1  0
 31 65  1  0
 33 66  1  0
 35 67  1  0
 37 68  1  0
 38 69  1  0
 39 70  1  6
 40 71  1  0
 41 72  1  1
 42 73  1  0
 43 74  1  6
 44 75  1  0
M  CHG  1  28   1
M  END
Download

3D SDF for HMDB0030693 (Delphinidin 3,5-diglucoside)

Delphinidin 3,5-0-diglucoside
  Mrv1652309231718082D          

 44 48  0  0  1  0            999 V2000
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4749    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0012   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0012   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868   -4.9499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579   -2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0012    1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0012    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0012   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -4.9499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  0  0  0  0
 17 26  1  0  0  0  0
 26 27  1  1  0  0  0
 15 28  1  0  0  0  0
 28 29  2  0  0  0  0
  7 29  1  0  0  0  0
 12 29  1  0  0  0  0
 14 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 30 38  1  0  0  0  0
  5 39  1  0  0  0  0
 39 40  1  6  0  0  0
 39 41  1  0  0  0  0
 41 42  1  1  0  0  0
 41 43  1  0  0  0  0
  3 43  1  0  0  0  0
 43 44  1  6  0  0  0
M  CHG  1  13   1
M  END
> <DATABASE_ID>
HMDB0030693

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1

> <INCHI_KEY>
XCTGXGVGJYACEI-LCENJUANSA-O

> <FORMULA>
C27H31O17

> <MOLECULAR_WEIGHT>
627.5248

> <EXACT_MASS>
627.156124566

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
59.37367497338353

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
12

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-0.28

> <JCHEM_LOGP>
-2.5607000000000006

> <ALOGPS_LOGS>
-2.61

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.582559653052508

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.612642983134364

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6789468869085615

> <JCHEM_POLAR_SURFACE_AREA>
292.82

> <JCHEM_REFRACTIVITY>
150.3828

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.61e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0030693 (Delphinidin 3,5-diglucoside)

HMDB0030693
     RDKit          3D
Delphinidin 3,5-diglucoside
 75 79  0  0  0  0  0  0  0  0999 V2000
   -0.6052   -2.8569   -4.4201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1898   -1.6878   -3.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3760   -1.8936   -2.4150 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9559   -0.7261   -1.9113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1012   -0.8606   -0.4878 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3220    0.4029    0.0239 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4358    1.3270    0.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0666    1.0203    0.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.9492    0.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2342    1.6578    0.7775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5362    0.4290    0.2249 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8146   -0.0339   -0.1133 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7666   -0.5004   -1.3877 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0938   -1.7842   -1.6566 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9636   -2.7911   -1.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3594   -4.0766   -1.7831 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3557   -2.2834   -1.0257 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4441   -2.2757   -1.9319 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7062   -1.5469    0.2331 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4801   -2.2591    1.1175 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4299   -0.9899    0.8666 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9042   -0.2588    1.9775 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1923    2.5497    1.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7267    3.7564    1.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6777    4.6745    2.1896 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3961    4.0805    1.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4507    3.1465    1.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8148    3.3837    1.4435 O   0  0  0  0  0  3  0  0  0  0  0  0
   -1.7673    2.5378    1.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1211    2.9816    1.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2051    2.3196    0.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5205    2.7564    0.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5333    1.9747    0.3892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7649    3.8967    1.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0635    4.3768    1.8085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6753    4.6343    2.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9557    5.7908    2.7680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4037    4.1710    1.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1919   -1.8565   -0.3142 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6254   -2.0294    0.9904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7053   -3.2078   -0.8058 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6857   -4.1915   -0.6545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2903   -3.0859   -2.2448 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5761   -4.2193   -2.6418 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2175   -3.1019   -3.9372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5047   -0.8430   -4.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1745   -1.5885   -4.3684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4201   -2.1339   -1.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1103   -1.3241   -0.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2864    0.1101    0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4730    0.8960   -0.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3059   -1.8153   -2.7755 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1203   -2.5127   -2.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5367   -2.7670   -0.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3175   -4.6833   -0.9997 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2119   -3.3532   -0.7628 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1537   -2.6047   -2.8178 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2901   -0.6404   -0.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2178   -1.6891    1.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7622   -1.7424    1.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3159   -0.8904    2.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2399    2.3360    1.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4047    5.5651    2.5823 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227    4.9968    2.2469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0980    1.4055    0.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5034    2.1612    0.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8606    3.8658    1.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9084    6.0783    2.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5843    4.7642    2.2643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1006   -1.6210   -0.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6239   -1.9736    1.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8266   -3.5412   -0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6068   -3.8098   -0.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1483   -2.9120   -2.9266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8520   -5.0337   -2.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 10 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
  5 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 43  3  1  0
 29  7  1  0
 38 30  1  0
 27  9  1  0
 21 12  1  0
  1 45  1  0
  2 46  1  0
  2 47  1  0
  3 48  1  1
  5 49  1  1
  8 50  1  0
 12 51  1  6
 14 52  1  6
 15 53  1  0
 15 54  1  0
 16 55  1  0
 17 56  1  1
 18 57  1  0
 19 58  1  6
 20 59  1  0
 21 60  1  1
 22 61  1  0
 23 62  1  0
 25 63  1  0
 26 64  1  0
 31 65  1  0
 33 66  1  0
 35 67  1  0
 37 68  1  0
 38 69  1  0
 39 70  1  6
 40 71  1  0
 41 72  1  1
 42 73  1  0
 43 74  1  6
 44 75  1  0
M  CHG  1  28   1
M  END
Download

PDB for HMDB0030693 (Delphinidin 3,5-diglucoside)

HEADER    PROTEIN                                 23-SEP-17   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Delphinidin 3,5-0-diglucoside                     
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-SEP-17         0                                  
HETATM    1  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+1
HETATM   14  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       9.336  -5.390   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      12.003  -6.930   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       8.002  -9.240   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       5.335  -7.700   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       9.336   3.850   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      12.003   2.310   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      10.669   0.000   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      12.003  -0.770   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       0.000  -9.240   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -2.667  -7.700   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   43                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   39                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   29                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   29                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   30                                                  
CONECT   15   14   16   28                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   26                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   22                                                  
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22   19   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   17   27                                                  
CONECT   27   26                                                            
CONECT   28   15   29                                                       
CONECT   29   28    7   12                                                  
CONECT   30   14   31   38                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   30                                                       
CONECT   39    5   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41    3   44                                                  
CONECT   44   43                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END
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3D PDB for HMDB0030693 (Delphinidin 3,5-diglucoside)

COMPND    HMDB0030693
HETATM    1  O1  UNL     1      -0.605  -2.857  -4.420  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.190  -1.688  -3.907  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.376  -1.894  -2.415  1.00  0.00           C  
HETATM    4  O2  UNL     1      -1.956  -0.726  -1.911  1.00  0.00           O  
HETATM    5  C3  UNL     1      -2.101  -0.861  -0.488  1.00  0.00           C  
HETATM    6  O3  UNL     1      -2.322   0.403   0.024  1.00  0.00           O  
HETATM    7  C4  UNL     1      -1.436   1.327   0.483  1.00  0.00           C  
HETATM    8  C5  UNL     1      -0.067   1.020   0.403  1.00  0.00           C  
HETATM    9  C6  UNL     1       0.867   1.949   0.863  1.00  0.00           C  
HETATM   10  C7  UNL     1       2.234   1.658   0.778  1.00  0.00           C  
HETATM   11  O4  UNL     1       2.536   0.429   0.225  1.00  0.00           O  
HETATM   12  C8  UNL     1       3.815  -0.034  -0.113  1.00  0.00           C  
HETATM   13  O5  UNL     1       3.767  -0.500  -1.388  1.00  0.00           O  
HETATM   14  C9  UNL     1       4.094  -1.784  -1.657  1.00  0.00           C  
HETATM   15  C10 UNL     1       2.964  -2.791  -1.501  1.00  0.00           C  
HETATM   16  O6  UNL     1       3.359  -4.077  -1.783  1.00  0.00           O  
HETATM   17  C11 UNL     1       5.356  -2.283  -1.026  1.00  0.00           C  
HETATM   18  O7  UNL     1       6.444  -2.276  -1.932  1.00  0.00           O  
HETATM   19  C12 UNL     1       5.706  -1.547   0.233  1.00  0.00           C  
HETATM   20  O8  UNL     1       6.480  -2.259   1.117  1.00  0.00           O  
HETATM   21  C13 UNL     1       4.430  -0.990   0.867  1.00  0.00           C  
HETATM   22  O9  UNL     1       4.904  -0.259   1.978  1.00  0.00           O  
HETATM   23  C14 UNL     1       3.192   2.550   1.214  1.00  0.00           C  
HETATM   24  C15 UNL     1       2.727   3.756   1.743  1.00  0.00           C  
HETATM   25  O10 UNL     1       3.678   4.675   2.190  1.00  0.00           O  
HETATM   26  C16 UNL     1       1.396   4.081   1.844  1.00  0.00           C  
HETATM   27  C17 UNL     1       0.451   3.146   1.388  1.00  0.00           C  
HETATM   28  O11 UNL     1      -0.815   3.384   1.443  1.00  0.00           O1+
HETATM   29  C18 UNL     1      -1.767   2.538   1.020  1.00  0.00           C  
HETATM   30  C19 UNL     1      -3.121   2.982   1.172  1.00  0.00           C  
HETATM   31  C20 UNL     1      -4.205   2.320   0.717  1.00  0.00           C  
HETATM   32  C21 UNL     1      -5.521   2.756   0.912  1.00  0.00           C  
HETATM   33  O12 UNL     1      -6.533   1.975   0.389  1.00  0.00           O  
HETATM   34  C22 UNL     1      -5.765   3.897   1.585  1.00  0.00           C  
HETATM   35  O13 UNL     1      -7.064   4.377   1.809  1.00  0.00           O  
HETATM   36  C23 UNL     1      -4.675   4.634   2.084  1.00  0.00           C  
HETATM   37  O14 UNL     1      -4.956   5.791   2.768  1.00  0.00           O  
HETATM   38  C24 UNL     1      -3.404   4.171   1.871  1.00  0.00           C  
HETATM   39  C25 UNL     1      -3.192  -1.857  -0.314  1.00  0.00           C  
HETATM   40  O15 UNL     1      -3.625  -2.029   0.990  1.00  0.00           O  
HETATM   41  C26 UNL     1      -2.705  -3.208  -0.806  1.00  0.00           C  
HETATM   42  O16 UNL     1      -3.686  -4.191  -0.655  1.00  0.00           O  
HETATM   43  C27 UNL     1      -2.290  -3.086  -2.245  1.00  0.00           C  
HETATM   44  O17 UNL     1      -1.576  -4.219  -2.642  1.00  0.00           O  
HETATM   45  H1  UNL     1       0.217  -3.102  -3.937  1.00  0.00           H  
HETATM   46  H2  UNL     1      -0.505  -0.843  -4.124  1.00  0.00           H  
HETATM   47  H3  UNL     1      -2.175  -1.588  -4.368  1.00  0.00           H  
HETATM   48  H4  UNL     1      -0.420  -2.134  -1.935  1.00  0.00           H  
HETATM   49  H5  UNL     1      -1.110  -1.324  -0.202  1.00  0.00           H  
HETATM   50  H6  UNL     1       0.286   0.110   0.002  1.00  0.00           H  
HETATM   51  H7  UNL     1       4.473   0.896  -0.078  1.00  0.00           H  
HETATM   52  H8  UNL     1       4.306  -1.815  -2.776  1.00  0.00           H  
HETATM   53  H9  UNL     1       2.120  -2.513  -2.198  1.00  0.00           H  
HETATM   54  H10 UNL     1       2.537  -2.767  -0.487  1.00  0.00           H  
HETATM   55  H11 UNL     1       3.317  -4.683  -1.000  1.00  0.00           H  
HETATM   56  H12 UNL     1       5.212  -3.353  -0.763  1.00  0.00           H  
HETATM   57  H13 UNL     1       6.154  -2.605  -2.818  1.00  0.00           H  
HETATM   58  H14 UNL     1       6.290  -0.640  -0.105  1.00  0.00           H  
HETATM   59  H15 UNL     1       7.218  -1.689   1.432  1.00  0.00           H  
HETATM   60  H16 UNL     1       3.762  -1.742   1.265  1.00  0.00           H  
HETATM   61  H17 UNL     1       5.316  -0.890   2.643  1.00  0.00           H  
HETATM   62  H18 UNL     1       4.240   2.336   1.161  1.00  0.00           H  
HETATM   63  H19 UNL     1       3.405   5.565   2.582  1.00  0.00           H  
HETATM   64  H20 UNL     1       1.023   4.997   2.247  1.00  0.00           H  
HETATM   65  H21 UNL     1      -4.098   1.406   0.156  1.00  0.00           H  
HETATM   66  H22 UNL     1      -7.503   2.161   0.465  1.00  0.00           H  
HETATM   67  H23 UNL     1      -7.861   3.866   1.473  1.00  0.00           H  
HETATM   68  H24 UNL     1      -5.908   6.078   2.904  1.00  0.00           H  
HETATM   69  H25 UNL     1      -2.584   4.764   2.264  1.00  0.00           H  
HETATM   70  H26 UNL     1      -4.101  -1.621  -0.921  1.00  0.00           H  
HETATM   71  H27 UNL     1      -4.624  -1.974   1.082  1.00  0.00           H  
HETATM   72  H28 UNL     1      -1.827  -3.541  -0.225  1.00  0.00           H  
HETATM   73  H29 UNL     1      -4.607  -3.810  -0.771  1.00  0.00           H  
HETATM   74  H30 UNL     1      -3.148  -2.912  -2.927  1.00  0.00           H  
HETATM   75  H31 UNL     1      -1.852  -5.034  -2.173  1.00  0.00           H  
CONECT    1    2   45
CONECT    2    3   46   47
CONECT    3    4   43   48
CONECT    4    5
CONECT    5    6   39   49
CONECT    6    7
CONECT    7    8    8   29
CONECT    8    9   50
CONECT    9   10   10   27
CONECT   10   11   23
CONECT   11   12
CONECT   12   13   21   51
CONECT   13   14
CONECT   14   15   17   52
CONECT   15   16   53   54
CONECT   16   55
CONECT   17   18   19   56
CONECT   18   57
CONECT   19   20   21   58
CONECT   20   59
CONECT   21   22   60
CONECT   22   61
CONECT   23   24   24   62
CONECT   24   25   26
CONECT   25   63
CONECT   26   27   27   64
CONECT   27   28
CONECT   28   29   29
CONECT   29   30
CONECT   30   31   31   38
CONECT   31   32   65
CONECT   32   33   34   34
CONECT   33   66
CONECT   34   35   36
CONECT   35   67
CONECT   36   37   38   38
CONECT   37   68
CONECT   38   69
CONECT   39   40   41   70
CONECT   40   71
CONECT   41   42   43   72
CONECT   42   73
CONECT   43   44   74
CONECT   44   75
END
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SMILES for HMDB0030693 (Delphinidin 3,5-diglucoside)

OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O
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INCHI for HMDB0030693 (Delphinidin 3,5-diglucoside)

InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
DelphinChEBI
Aurobanin aHMDB
C.I. natural blueHMDB
Delphinidin 3,5-O-diglucosideHMDB
Delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucosideHMDB
Delphoside?HMDB
HyacinHMDB
Delphinidin 3,5-diglucosideChEBI
Delphinidin 3-O-b-D-glucoside-5-O-b-D-glucosideGenerator
Delphinidin 3-O-β-D-glucoside-5-O-β-D-glucosideGenerator
Chemical FormulaC27H31O17
Average Molecular Weight627.5248
Monoisotopic Molecular Weight627.156124566
IUPAC Name7-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium
Traditional Name7-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium
CAS Registry Number17670-06-3
SMILES
OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
InChI KeyXCTGXGVGJYACEI-LCENJUANSA-O
Chemical Taxonomy
Description Belongs to the class of organic compounds known as anthocyanidin-5-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentAnthocyanidin-5-O-glycosides
Alternative Parents
Substituents
  • Anthocyanidin-3-o-glycoside
  • Anthocyanidin-5-o-glycoside
  • Flavonoid-3-o-glycoside
  • Hydroxyflavonoid
  • 3'-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Anthocyanidin
  • Phenolic glycoside
  • Hexose monosaccharide
  • O-glycosyl compound
  • Glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • Pyrogallol derivative
  • Benzenetriol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Benzenoid
  • Monocyclic benzene moiety
  • Oxane
  • Monosaccharide
  • Heteroaromatic compound
  • Secondary alcohol
  • Organoheterocyclic compound
  • Oxacycle
  • Polyol
  • Acetal
  • Primary alcohol
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Alcohol
  • Organooxygen compound
  • Organic cation
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point202 - 203 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.73 g/LALOGPS
logP-0.28ALOGPS
logP-2.6ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)6.61ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count17ChemAxon
Hydrogen Donor Count12ChemAxon
Polar Surface Area292.82 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity150.38 m³·mol⁻¹ChemAxon
Polarizability59.37 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M-2H]-253.65730932474
DeepCCS[M+Na]+227.54530932474
AllCCS[M+H]+234.332859911
AllCCS[M+H-H2O]+233.232859911
AllCCS[M+NH4]+235.332859911
AllCCS[M+Na]+235.532859911
AllCCS[M-H]-230.732859911
AllCCS[M+Na-2H]-232.932859911
AllCCS[M+HCOO]-235.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Delphinidin 3,5-diglucosideOC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O6320.9Standard polar33892256
Delphinidin 3,5-diglucosideOC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5535.9Standard non polar33892256
Delphinidin 3,5-diglucosideOC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5858.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Delphinidin 3,5-diglucoside,1TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5574.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,1TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)O[C@H](CO)[C@H]1O5603.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,1TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@H]1O5579.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,1TMS,isomer #2C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15668.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,1TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5573.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,1TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O5579.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,1TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO)[C@H]1O5602.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,1TMS,isomer #6C[Si](C)(C)O[C@H]1[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO)[C@@H](O)[C@@H]1O5616.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,1TMS,isomer #7C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O5615.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,1TMS,isomer #8C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O5557.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,1TMS,isomer #9C[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)O[C@H](CO)[C@@H](O)[C@@H]1O5614.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5455.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #10C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C5429.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #11C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15450.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #12C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15451.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #13C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15468.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #14C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5455.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #15C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15450.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #16C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15454.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #17C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15471.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #18C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C15437.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #19C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C15394.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5385.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #20C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5406.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #21C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5415.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #22C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5422.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #23C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O5385.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #24C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5343.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #25C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O5431.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #26C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O5420.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #27C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C5429.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #28C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O5395.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #29C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C23)O[C@H](CO)[C@H]1O5403.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5343.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #30C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O5415.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #31C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC(O)=C1O5388.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #32C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O5333.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #33C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@@H]1CO5420.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #34C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O[Si](C)(C)C5426.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #35C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO)[C@H]1O5444.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #36C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO)[C@H]1O5405.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #37C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO)[C@H]1O5415.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #38C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO)[C@H]1O5427.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #39C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC(O)=C1O5386.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5412.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #40C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O5332.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #41C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C23)[C@H](O)[C@H]1O5420.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #42C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C23)O[C@H](CO)[C@H]1O5430.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #43C[Si](C)(C)O[C@H]1[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO)[C@@H](O)[C@@H]1O5439.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #44C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC(O)=C1O5408.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #45C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O5351.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #46C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O5387.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #47C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O5385.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #48C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O5407.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #49C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O[Si](C)(C)C)=C1O5420.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5406.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #50C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O[Si](C)(C)C5375.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #51C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O5331.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #52C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O5331.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #53C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O5349.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #54C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)O[C@@H]1CO5419.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #55C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)O[C@H](CO)[C@H]1O5444.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #56C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@H]1O[Si](C)(C)C5428.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5415.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #7C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5426.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #8C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O5429.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TMS,isomer #9C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O5421.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5237.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #10C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5230.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #100C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O5254.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #101C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C5274.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #102C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O5229.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #103C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O5201.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #104C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O5232.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #105C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O5202.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #106C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C5232.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #107C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O5178.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #108C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O5150.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #109C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C5179.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #11C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5201.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #110C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O5263.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #111C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C5269.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #112C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C5267.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #113C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O5246.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #114C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C23)O[C@@H]1CO5240.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #115C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC(O)=C1O5195.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #116C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O5120.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #117C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@@H]1CO5240.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #118C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C23)[C@H](O)[C@H]1O5244.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #119C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C23)O[C@H](CO)[C@H]1O5258.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #12C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O5240.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #120C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC(O)=C1O5184.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #121C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O5110.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #122C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C23)O[C@H](CO)[C@H]1O5246.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #123C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@@H]1CO5244.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #124C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC(O)=C1O5207.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #125C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O5135.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #126C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@@H]1CO5255.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #127C[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C23)O[C@H](CO)[C@@H](O)[C@@H]1O5259.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #128C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=CC(O)=C1O5206.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #129C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=CC(O)=C1O5206.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #13C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5212.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #130C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC(O[Si](C)(C)C)=C1O5215.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #131C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC(O)=C1O[Si](C)(C)C5184.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #132C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O5137.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #133C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O5142.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #134C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO)[C@H]1O[Si](C)(C)C5274.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #135C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO)[C@H]1O5258.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #136C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C23)O[C@H](CO)[C@H]1O5264.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #137C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO)[C@H]1O5274.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #138C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC(O)=C1O5217.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #139C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O5155.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #14C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5202.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #140C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO)[C@H]1O5247.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #141C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C23)O[C@@H]1CO5241.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #142C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC(O)=C1O5183.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #143C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O5108.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #144C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO)[C@H]1O5262.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #145C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC(O)=C1O5174.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #146C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O5094.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #147C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC(O)=C1O5198.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #148C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O5124.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #149C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC(O[Si](C)(C)C)=C1O5196.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #15C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5226.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #150C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC(O)=C1O[Si](C)(C)C5169.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #151C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC(O)=C1O5209.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #152C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O5134.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #153C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C23)O[C@@H]1CO5259.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #154C[Si](C)(C)O[C@H]1[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO)[C@@H](O)[C@@H]1O5265.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #155C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C23)O[C@H](CO)[C@H]1O5278.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #156C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC(O)=C1O5199.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #157C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O5124.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #158C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC(O)=C1O5223.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #159C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O5153.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #16C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O5232.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #160C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O5225.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #161C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C5194.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #162C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O5207.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #163C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O5207.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #164C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O[Si](C)(C)C)=C1O5214.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #165C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O[Si](C)(C)C5184.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #166C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O5220.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #167C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O[Si](C)(C)C)=C1O5196.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #168C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O[Si](C)(C)C5169.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #169C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O[Si](C)(C)C)=C1O5222.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #17C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O5205.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #170C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O[Si](C)(C)C5193.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #171C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C5274.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #172C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O5137.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #173C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O5142.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #174C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O5156.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #175C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)O[C@H](CO)[C@H]1O[Si](C)(C)C5274.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #18C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C5232.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #19C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5192.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5200.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #20C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5156.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #21C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5146.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #22C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5172.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #23C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O5178.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #24C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O5151.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #25C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C5179.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #26C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5279.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #27C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5263.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #28C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5278.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #29C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5280.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5287.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #30C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5263.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #31C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5280.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #32C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5247.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #33C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5246.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #34C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O5261.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #35C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O5244.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #36C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C5262.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #37C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5261.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #38C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O5265.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #39C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O5245.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5274.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #40C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C5264.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #41C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O5280.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #42C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O5260.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #43C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C5279.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #44C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O5267.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #45C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C5270.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #46C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C5269.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #47C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15289.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #48C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15284.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #49C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5272.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5273.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #50C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15276.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #51C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15271.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #52C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15288.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #53C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C15227.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #54C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C15176.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #55C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15301.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #56C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5272.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #57C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15272.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #58C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15263.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #59C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15285.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5289.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #60C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C15212.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #61C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C15166.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #62C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5285.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #63C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15287.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #64C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15284.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #65C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15302.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #66C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C15237.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #67C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C15186.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #68C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O5236.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #69C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5198.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #7C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O5293.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #70C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O5293.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #71C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O5271.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #72C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C5292.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #73C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15287.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #74C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15281.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #75C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C15227.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #76C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C15176.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #77C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15298.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #78C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C15211.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #79C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C15163.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #8C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O5274.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #80C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C15237.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #81C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C15183.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #82C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C15262.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #83C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C15242.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #84C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5247.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #85C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5244.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #86C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O5211.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #87C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5154.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #88C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O5263.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #89C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O5241.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #9C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C5294.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #90C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C5261.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #91C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5260.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #92C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O5202.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #93C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5145.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #94C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O5266.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #95C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O5244.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #96C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C5263.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #97C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O5224.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #98C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5170.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,3TMS,isomer #99C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O5277.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5760.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,1TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)O[C@H](CO)[C@H]1O5767.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,1TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@H]1O5756.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15837.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5761.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O5756.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO)[C@H]1O5765.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO)[C@@H](O)[C@@H]1O5783.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O5780.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O5757.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,1TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)O[C@H](CO)[C@@H](O)[C@@H]1O5781.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5787.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C5767.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15784.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15783.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15799.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5788.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15785.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15782.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C15799.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C15781.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C15777.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5712.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5753.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5757.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5771.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O5712.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5694.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O5778.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O5761.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C5767.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #28CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O5745.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #29CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C=C23)O[C@H](CO)[C@H]1O5747.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5694.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #30CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O5760.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=CC(O)=C1O5714.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1O5699.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #33CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@@H]1CO5757.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #34CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C5756.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #35CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO)[C@H]1O5777.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #36CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO)[C@H]1O5745.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #37CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO)[C@H]1O5751.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #38CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO)[C@H]1O5763.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #39CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=CC(O)=C1O5709.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O5766.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #40CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O5696.8Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #41CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C23)[C@H](O)[C@H]1O5762.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #42CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C23)O[C@H](CO)[C@H]1O5766.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #43CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@H](CO)[C@@H](O)[C@@H]1O5779.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #44CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O5727.3Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #45CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O5713.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #46CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O5715.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #47CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O5710.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #48CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O5726.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #49CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O5756.9Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5753.7Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #50CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C5739.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #51CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O5697.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #52CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O5696.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #53CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O5710.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #54CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)O[C@@H]1CO5759.4Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #55CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)O[C@H](CO)[C@H]1O5779.5Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #56CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C5758.0Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5755.6Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C23)[C@H](O)[C@@H](O)[C@@H]1O5772.2Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O5778.1Semi standard non polar33892256
Delphinidin 3,5-diglucoside,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC(O)=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O5762.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4r-3400194000-ba8d83127d89d86ec0c82017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (1 TMS) - 70eV, Positivesplash10-0089-5800019000-d276f95c95b27cbc2cef2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_1_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_1_10) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_1_11) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Delphinidin 3,5-diglucoside GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Delphinidin 3,5-diglucoside 10V, Positive-QTOFsplash10-004i-0100009000-9a807e7bbe9d5297e1d32016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Delphinidin 3,5-diglucoside 20V, Positive-QTOFsplash10-056r-1300009000-56ac68da9f73d199679e2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Delphinidin 3,5-diglucoside 40V, Positive-QTOFsplash10-03dj-6900021000-6a97e772941706352a5f2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Delphinidin 3,5-diglucoside 10V, Negative-QTOFsplash10-004i-1200009000-99bd0c5296e16289c7382016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Delphinidin 3,5-diglucoside 20V, Negative-QTOFsplash10-00b9-5600009000-30d5cce72c087249e5ab2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Delphinidin 3,5-diglucoside 40V, Negative-QTOFsplash10-0006-9100200000-acd8661065d52bc063532016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Delphinidin 3,5-diglucoside 10V, Positive-QTOFsplash10-014i-0102902000-be55b0dd7ac35f99d1892021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Delphinidin 3,5-diglucoside 20V, Positive-QTOFsplash10-0gb9-1205922000-9f9f955b81c3b04b0ea02021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Delphinidin 3,5-diglucoside 40V, Positive-QTOFsplash10-02ta-7702911000-19951374ffe72408177c2021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound ID73
FooDB IDFDB002614
KNApSAcK IDC00006709
Chemspider ID8276439
KEGG Compound IDC16312
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound10100906
PDB IDNot Available
ChEBI ID55455
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .