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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 21:28:05 UTC

Update Date

2022-03-07 02:54:52 UTC

HMDB ID

HMDB0036336

Secondary Accession Numbers

HMDB36336

Metabolite Identification

Common Name

Prodelphinidin A1

Description

Prodelphinidin A1 belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. Prodelphinidin A1 is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, prodelphinidin A1 has been detected, but not quantified in, fruits. This could make prodelphinidin A1 a potential biomarker for the consumption of these foods.

Structure

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


  Mrv0541 02241211162D          

 44 50  0  0  0  0            999 V2000
   -1.1301    2.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3780    2.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3011    3.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9829    3.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9128    4.6095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7391    1.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5905    1.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9169    0.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6887   -0.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0632   -0.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6599   -0.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6159   -1.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1149   -2.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6557   -3.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1589   -3.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9604   -3.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3839   -4.5160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3315   -0.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4099   -1.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7266   -1.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9733   -1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8949   -0.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5795   -0.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5108    0.5650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9288   -2.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426   -3.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1537   -3.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4869    2.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8119    2.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7363    3.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3398    3.9304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1328    3.2238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0572    2.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3037    2.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2350    1.2152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0162    0.8922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2656    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1172   -0.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3720   -0.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -1.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3065   -1.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1537   -1.7033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6874   -4.6095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172   -2.1184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  2  0  0  0  0
  2  3  2  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  2  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  2  0  0  0  0
  8  9  2  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 41  1  0  0  0  0
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 16 26  2  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
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 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
M  END

HMDB0036336
     RDKit          3D
Prodelphinidin A1
 68 74  0  0  0  0  0  0  0  0999 V2000
    2.9950   -5.0641   -1.4565 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4182   -3.8220   -1.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2234   -3.5568   -1.9025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5557   -2.3361   -1.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -2.1473   -2.4472 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1131   -1.3544   -1.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3313   -1.5999   -0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9822   -2.8229   -0.5276 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8584   -0.5783    0.3281 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6714    0.7998   -0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9632    1.4989   -0.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4666    2.3652    0.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6532    3.0428    0.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1359    3.8949    1.6074 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4168    2.8936   -0.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    3.5862   -0.6522 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9478    2.0524   -1.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6615    1.8623   -2.6554 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7334    1.3661   -1.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0514    1.3415    1.1914 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8446    0.7818    1.5454 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4221    0.9213    2.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7693    0.3755    3.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1971    0.5103    4.5357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5267   -0.3036    2.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1226   -0.4513    0.9778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    0.0999    0.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5211   -0.0289   -0.8127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6608    0.9803   -1.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1497    0.6799   -2.3274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9338   -1.1377    0.0933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2245   -1.6240    0.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3142   -0.7435   -0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2198   -0.2387   -1.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1921    0.5909   -1.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1147    1.0986   -3.1303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2972    0.9373   -1.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2248    1.7202   -1.5071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3523    0.4006    0.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4197    0.7184    1.0624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3804   -0.4287    0.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2568   -1.9637    1.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3565   -3.0444    2.0167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8175   -0.8814    2.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6438   -5.2959   -2.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7634   -4.3191   -2.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1693   -1.3107   -2.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9301   -2.9943   -0.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8498    2.4699    1.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5778    4.0013    2.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9254    4.1993    0.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5308    2.3049   -2.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4020    0.6982   -2.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0584    1.4667    3.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0710    0.1355    4.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3103    0.2259   -1.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1833    1.9804   -1.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7775    1.3023   -3.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3852   -2.6018   -0.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3714   -0.4854   -2.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7901    1.7074   -3.5488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9220    2.2549   -1.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1888    1.3259    0.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4794   -0.8150    1.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2501   -2.4000    2.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6112   -2.8098    2.6039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6934   -1.3791    3.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5393   -0.0525    2.8845 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
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 10 20  1  0
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 42 44  1  0
  8  2  1  0
 29 10  1  0
 41 33  1  0
 28  6  1  0
 19 11  1  0
 27 21  1  0
 44 25  1  0
  1 45  1  0
  3 46  1  0
  5 47  1  0
  8 48  1  0
 12 49  1  0
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 22 54  1  0
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 28 56  1  0
 29 57  1  0
 30 58  1  0
 32 59  1  0
 34 60  1  0
 36 61  1  0
 38 62  1  0
 40 63  1  0
 41 64  1  0
 42 65  1  0
 43 66  1  0
 44 67  1  0
 44 68  1  0
M  END


  Mrv0541 02241211162D          

 44 50  0  0  0  0            999 V2000
   -1.1301    2.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3780    2.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3011    3.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9829    3.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9128    4.6095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7391    1.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5905    1.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9169    0.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6887   -0.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0632   -0.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6599   -0.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6159   -1.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1149   -2.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6557   -3.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9604   -3.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3839   -4.5160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4869    2.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7363    3.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3398    3.9304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1328    3.2238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0572    2.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3037    2.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2350    1.2152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0162    0.8922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2656    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1172   -0.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3720   -0.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -1.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3065   -1.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1537   -1.7033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6874   -4.6095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172   -2.1184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  2  0  0  0  0
  2  3  2  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  2  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  2  0  0  0  0
  8  9  2  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 12 44  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  2  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0036336

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1CC2=C(O)C=C3OC4(OC5=CC(O)=CC(O)=C5C(C4O)C3=C2OC1C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H24O14/c31-11-5-14(33)22-20(6-11)43-30(10-3-17(36)26(40)18(37)4-10)29(41)24(22)23-21(44-30)8-13(32)12-7-19(38)27(42-28(12)23)9-1-15(34)25(39)16(35)2-9/h1-6,8,19,24,27,29,31-41H,7H2

> <INCHI_KEY>
SJDDGZBVGOKCKT-UHFFFAOYSA-N

> <FORMULA>
C30H24O14

> <MOLECULAR_WEIGHT>
608.5032

> <EXACT_MASS>
608.116605476

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
58.56424809035298

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,13-bis(3,4,5-trihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaene-6,9,17,19,21-pentol

> <ALOGPS_LOGP>
2.25

> <JCHEM_LOGP>
2.9834014533333333

> <ALOGPS_LOGS>
-3.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.927848058640523

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.418163375582226

> <JCHEM_PKA_STRONGEST_BASIC>
-5.217530837356386

> <JCHEM_POLAR_SURFACE_AREA>
250.21999999999994

> <JCHEM_REFRACTIVITY>
148.15810000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.14e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,13-bis(3,4,5-trihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaene-6,9,17,19,21-pentol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0036336
     RDKit          3D
Prodelphinidin A1
 68 74  0  0  0  0  0  0  0  0999 V2000
    2.9950   -5.0641   -1.4565 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4182   -3.8220   -1.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2234   -3.5568   -1.9025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5557   -2.3361   -1.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -2.1473   -2.4472 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1131   -1.3544   -1.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3313   -1.5999   -0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9822   -2.8229   -0.5276 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8584   -0.5783    0.3281 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6714    0.7998   -0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9632    1.4989   -0.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4666    2.3652    0.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6532    3.0428    0.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1359    3.8949    1.6074 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4168    2.8936   -0.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    3.5862   -0.6522 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9478    2.0524   -1.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6615    1.8623   -2.6554 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7334    1.3661   -1.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0514    1.3415    1.1914 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8446    0.7818    1.5454 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4221    0.9213    2.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7693    0.3755    3.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1971    0.5103    4.5357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5267   -0.3036    2.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1226   -0.4513    0.9778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    0.0999    0.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5211   -0.0289   -0.8127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6608    0.9803   -1.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1497    0.6799   -2.3274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9338   -1.1377    0.0933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2245   -1.6240    0.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3142   -0.7435   -0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2198   -0.2387   -1.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1921    0.5909   -1.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1147    1.0986   -3.1303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2972    0.9373   -1.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2248    1.7202   -1.5071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3523    0.4006    0.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4197    0.7184    1.0624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3804   -0.4287    0.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2568   -1.9637    1.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3565   -3.0444    2.0167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8175   -0.8814    2.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6438   -5.2959   -2.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7634   -4.3191   -2.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1693   -1.3107   -2.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9301   -2.9943   -0.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8498    2.4699    1.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5778    4.0013    2.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9254    4.1993    0.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5308    2.3049   -2.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4020    0.6982   -2.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0584    1.4667    3.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0710    0.1355    4.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3103    0.2259   -1.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1833    1.9804   -1.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7775    1.3023   -3.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3852   -2.6018   -0.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3714   -0.4854   -2.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7901    1.7074   -3.5488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9220    2.2549   -1.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1888    1.3259    0.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4794   -0.8150    1.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2501   -2.4000    2.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6112   -2.8098    2.6039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6934   -1.3791    3.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5393   -0.0525    2.8845 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  2  0
 10 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 26 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  1  0
 35 37  2  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  2  0
 32 42  1  0
 42 43  1  0
 42 44  1  0
  8  2  1  0
 29 10  1  0
 41 33  1  0
 28  6  1  0
 19 11  1  0
 27 21  1  0
 44 25  1  0
  1 45  1  0
  3 46  1  0
  5 47  1  0
  8 48  1  0
 12 49  1  0
 14 50  1  0
 16 51  1  0
 18 52  1  0
 19 53  1  0
 22 54  1  0
 24 55  1  0
 28 56  1  0
 29 57  1  0
 30 58  1  0
 32 59  1  0
 34 60  1  0
 36 61  1  0
 38 62  1  0
 40 63  1  0
 41 64  1  0
 42 65  1  0
 43 66  1  0
 44 67  1  0
 44 68  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -2.110   3.988   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.706   4.616   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.562   6.251   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.835   7.119   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -1.704   8.604   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       3.246   3.518   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.969   2.050   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.712   1.401   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.286  -0.056   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.118  -0.682   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.232  -1.635   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.150  -3.341   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.081  -4.621   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.224  -5.897   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.163  -7.178   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.659  -7.160   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       4.450  -8.430   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -4.352  -1.065   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.498  -2.700   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.223  -3.559   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.817  -2.931   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.670  -1.298   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.948  -0.433   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -2.820   1.055   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       3.600  -4.460   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.373  -5.874   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       5.887  -5.705   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -4.642   4.208   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -3.382   4.850   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -3.241   6.490   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -4.368   7.337   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       2.115   6.018   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       1.973   4.381   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       0.567   3.749   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       0.439   2.268   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       5.630   1.665   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       4.229   1.036   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       3.952  -0.441   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       2.561  -0.919   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       2.263  -2.543   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -0.572  -2.440   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      -5.887  -3.179   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       1.283  -8.604   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0      -0.405  -3.954   0.000  0.00  0.00           O+0
CONECT    1    2   29                                                       
CONECT    2    1    3   34                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   30                                                  
CONECT    5    4                                                            
CONECT    6    7   33                                                       
CONECT    7    6    8   37                                                  
CONECT    8    7    9   35                                                  
CONECT    9    8   10   39                                                  
CONECT   10    9   11   22                                                  
CONECT   11   10   12   41                                                  
CONECT   12   11   13   40   44                                             
CONECT   13   12   14   25                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   43                                                  
CONECT   16   15   17   26                                                  
CONECT   17   16                                                            
CONECT   18   19   23                                                       
CONECT   19   18   20   42                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   44                                                  
CONECT   22   10   21   23                                                  
CONECT   23   18   22   24                                                  
CONECT   24   23                                                            
CONECT   25   13   26                                                       
CONECT   26   16   25   27                                                  
CONECT   27   26                                                            
CONECT   28   29                                                            
CONECT   29    1   28   30                                                  
CONECT   30    4   29   31                                                  
CONECT   31   30                                                            
CONECT   32   33                                                            
CONECT   33    6   32   34                                                  
CONECT   34    2   33   35                                                  
CONECT   35    8   34                                                       
CONECT   36   37                                                            
CONECT   37    7   36   38                                                  
CONECT   38   37   39                                                       
CONECT   39    9   38   40                                                  
CONECT   40   12   39                                                       
CONECT   41   11                                                            
CONECT   42   19                                                            
CONECT   43   15                                                            
CONECT   44   12   21                                                       
MASTER        0    0    0    0    0    0    0    0   44    0  100    0
END

COMPND    HMDB0036336
HETATM    1  O1  UNL     1       2.995  -5.064  -1.457  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.418  -3.822  -1.288  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.223  -3.557  -1.902  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.556  -2.336  -1.797  1.00  0.00           C  
HETATM    5  O2  UNL     1      -0.628  -2.147  -2.447  1.00  0.00           O  
HETATM    6  C4  UNL     1       1.113  -1.354  -1.045  1.00  0.00           C  
HETATM    7  C5  UNL     1       2.331  -1.600  -0.410  1.00  0.00           C  
HETATM    8  C6  UNL     1       2.982  -2.823  -0.528  1.00  0.00           C  
HETATM    9  O3  UNL     1       2.858  -0.578   0.328  1.00  0.00           O  
HETATM   10  C7  UNL     1       2.671   0.800  -0.006  1.00  0.00           C  
HETATM   11  C8  UNL     1       3.963   1.499  -0.222  1.00  0.00           C  
HETATM   12  C9  UNL     1       4.467   2.365   0.763  1.00  0.00           C  
HETATM   13  C10 UNL     1       5.653   3.043   0.626  1.00  0.00           C  
HETATM   14  O4  UNL     1       6.136   3.895   1.607  1.00  0.00           O  
HETATM   15  C11 UNL     1       6.417   2.894  -0.517  1.00  0.00           C  
HETATM   16  O5  UNL     1       7.628   3.586  -0.652  1.00  0.00           O  
HETATM   17  C12 UNL     1       5.948   2.052  -1.495  1.00  0.00           C  
HETATM   18  O6  UNL     1       6.661   1.862  -2.655  1.00  0.00           O  
HETATM   19  C13 UNL     1       4.733   1.366  -1.341  1.00  0.00           C  
HETATM   20  O7  UNL     1       2.051   1.341   1.191  1.00  0.00           O  
HETATM   21  C14 UNL     1       0.845   0.782   1.545  1.00  0.00           C  
HETATM   22  C15 UNL     1       0.422   0.921   2.866  1.00  0.00           C  
HETATM   23  C16 UNL     1      -0.769   0.376   3.236  1.00  0.00           C  
HETATM   24  O8  UNL     1      -1.197   0.510   4.536  1.00  0.00           O  
HETATM   25  C17 UNL     1      -1.527  -0.304   2.291  1.00  0.00           C  
HETATM   26  C18 UNL     1      -1.123  -0.451   0.978  1.00  0.00           C  
HETATM   27  C19 UNL     1       0.083   0.100   0.596  1.00  0.00           C  
HETATM   28  C20 UNL     1       0.521  -0.029  -0.813  1.00  0.00           C  
HETATM   29  C21 UNL     1       1.661   0.980  -1.078  1.00  0.00           C  
HETATM   30  O9  UNL     1       2.150   0.680  -2.327  1.00  0.00           O  
HETATM   31  O10 UNL     1      -1.934  -1.138   0.093  1.00  0.00           O  
HETATM   32  C22 UNL     1      -3.225  -1.624   0.381  1.00  0.00           C  
HETATM   33  C23 UNL     1      -4.314  -0.744  -0.080  1.00  0.00           C  
HETATM   34  C24 UNL     1      -4.220  -0.239  -1.367  1.00  0.00           C  
HETATM   35  C25 UNL     1      -5.192   0.591  -1.859  1.00  0.00           C  
HETATM   36  O11 UNL     1      -5.115   1.099  -3.130  1.00  0.00           O  
HETATM   37  C26 UNL     1      -6.297   0.937  -1.056  1.00  0.00           C  
HETATM   38  O12 UNL     1      -7.225   1.720  -1.507  1.00  0.00           O  
HETATM   39  C27 UNL     1      -6.352   0.401   0.247  1.00  0.00           C  
HETATM   40  O13 UNL     1      -7.420   0.718   1.062  1.00  0.00           O  
HETATM   41  C28 UNL     1      -5.380  -0.429   0.737  1.00  0.00           C  
HETATM   42  C29 UNL     1      -3.257  -1.964   1.831  1.00  0.00           C  
HETATM   43  O14 UNL     1      -2.357  -3.044   2.017  1.00  0.00           O  
HETATM   44  C30 UNL     1      -2.818  -0.881   2.755  1.00  0.00           C  
HETATM   45  H1  UNL     1       3.644  -5.296  -2.201  1.00  0.00           H  
HETATM   46  H2  UNL     1       0.763  -4.319  -2.501  1.00  0.00           H  
HETATM   47  H3  UNL     1      -1.169  -1.311  -2.469  1.00  0.00           H  
HETATM   48  H4  UNL     1       3.930  -2.994  -0.026  1.00  0.00           H  
HETATM   49  H5  UNL     1       3.850   2.470   1.658  1.00  0.00           H  
HETATM   50  H6  UNL     1       5.578   4.001   2.445  1.00  0.00           H  
HETATM   51  H7  UNL     1       7.925   4.199   0.114  1.00  0.00           H  
HETATM   52  H8  UNL     1       7.531   2.305  -2.853  1.00  0.00           H  
HETATM   53  H9  UNL     1       4.402   0.698  -2.144  1.00  0.00           H  
HETATM   54  H10 UNL     1       1.058   1.467   3.563  1.00  0.00           H  
HETATM   55  H11 UNL     1      -2.071   0.135   4.835  1.00  0.00           H  
HETATM   56  H12 UNL     1      -0.310   0.226  -1.507  1.00  0.00           H  
HETATM   57  H13 UNL     1       1.183   1.980  -1.021  1.00  0.00           H  
HETATM   58  H14 UNL     1       1.778   1.302  -3.018  1.00  0.00           H  
HETATM   59  H15 UNL     1      -3.385  -2.602  -0.171  1.00  0.00           H  
HETATM   60  H16 UNL     1      -3.371  -0.485  -2.025  1.00  0.00           H  
HETATM   61  H17 UNL     1      -5.790   1.707  -3.549  1.00  0.00           H  
HETATM   62  H18 UNL     1      -7.922   2.255  -1.716  1.00  0.00           H  
HETATM   63  H19 UNL     1      -8.189   1.326   0.733  1.00  0.00           H  
HETATM   64  H20 UNL     1      -5.479  -0.815   1.740  1.00  0.00           H  
HETATM   65  H21 UNL     1      -4.250  -2.400   2.148  1.00  0.00           H  
HETATM   66  H22 UNL     1      -1.611  -2.810   2.604  1.00  0.00           H  
HETATM   67  H23 UNL     1      -2.693  -1.379   3.767  1.00  0.00           H  
HETATM   68  H24 UNL     1      -3.539  -0.053   2.885  1.00  0.00           H  
CONECT    1    2   45
CONECT    2    3    3    8
CONECT    3    4   46
CONECT    4    5    6    6
CONECT    5   47
CONECT    6    7   28
CONECT    7    8    8    9
CONECT    8   48
CONECT    9   10
CONECT   10   11   20   29
CONECT   11   12   12   19
CONECT   12   13   49
CONECT   13   14   15   15
CONECT   14   50
CONECT   15   16   17
CONECT   16   51
CONECT   17   18   19   19
CONECT   18   52
CONECT   19   53
CONECT   20   21
CONECT   21   22   22   27
CONECT   22   23   54
CONECT   23   24   25   25
CONECT   24   55
CONECT   25   26   44
CONECT   26   27   27   31
CONECT   27   28
CONECT   28   29   56
CONECT   29   30   57
CONECT   30   58
CONECT   31   32
CONECT   32   33   42   59
CONECT   33   34   34   41
CONECT   34   35   60
CONECT   35   36   37   37
CONECT   36   61
CONECT   37   38   39
CONECT   38   62
CONECT   39   40   41   41
CONECT   40   63
CONECT   41   64
CONECT   42   43   44   65
CONECT   43   66
CONECT   44   67   68
END

HMDB0036336
     RDKit          3D
Prodelphinidin A1
 68 74  0  0  0  0  0  0  0  0999 V2000
    2.9950   -5.0641   -1.4565 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4182   -3.8220   -1.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2234   -3.5568   -1.9025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5557   -2.3361   -1.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -2.1473   -2.4472 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1131   -1.3544   -1.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3313   -1.5999   -0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9822   -2.8229   -0.5276 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8584   -0.5783    0.3281 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6714    0.7998   -0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9632    1.4989   -0.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4666    2.3652    0.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6532    3.0428    0.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1359    3.8949    1.6074 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4168    2.8936   -0.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    3.5862   -0.6522 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9478    2.0524   -1.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6615    1.8623   -2.6554 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7334    1.3661   -1.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0514    1.3415    1.1914 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8446    0.7818    1.5454 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4221    0.9213    2.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7693    0.3755    3.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1971    0.5103    4.5357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5267   -0.3036    2.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1226   -0.4513    0.9778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    0.0999    0.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5211   -0.0289   -0.8127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6608    0.9803   -1.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1497    0.6799   -2.3274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9338   -1.1377    0.0933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2245   -1.6240    0.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3142   -0.7435   -0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2198   -0.2387   -1.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1921    0.5909   -1.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1147    1.0986   -3.1303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2972    0.9373   -1.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2248    1.7202   -1.5071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3523    0.4006    0.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4197    0.7184    1.0624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3804   -0.4287    0.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2568   -1.9637    1.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3565   -3.0444    2.0167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8175   -0.8814    2.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6438   -5.2959   -2.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7634   -4.3191   -2.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1693   -1.3107   -2.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9301   -2.9943   -0.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8498    2.4699    1.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5778    4.0013    2.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9254    4.1993    0.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5308    2.3049   -2.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4020    0.6982   -2.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0584    1.4667    3.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0710    0.1355    4.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3103    0.2259   -1.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1833    1.9804   -1.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7775    1.3023   -3.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3852   -2.6018   -0.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3714   -0.4854   -2.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7901    1.7074   -3.5488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9220    2.2549   -1.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1888    1.3259    0.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4794   -0.8150    1.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2501   -2.4000    2.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6112   -2.8098    2.6039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6934   -1.3791    3.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5393   -0.0525    2.8845 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  2  0
 10 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 26 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  1  0
 35 37  2  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  2  0
 32 42  1  0
 42 43  1  0
 42 44  1  0
  8  2  1  0
 29 10  1  0
 41 33  1  0
 28  6  1  0
 19 11  1  0
 27 21  1  0
 44 25  1  0
  1 45  1  0
  3 46  1  0
  5 47  1  0
  8 48  1  0
 12 49  1  0
 14 50  1  0
 16 51  1  0
 18 52  1  0
 19 53  1  0
 22 54  1  0
 24 55  1  0
 28 56  1  0
 29 57  1  0
 30 58  1  0
 32 59  1  0
 34 60  1  0
 36 61  1  0
 38 62  1  0
 40 63  1  0
 41 64  1  0
 42 65  1  0
 43 66  1  0
 44 67  1  0
 44 68  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Epigallocatechin-(2b->7,4b->8)-gallocatechin	HMDB

Chemical Formula

C₃₀H₂₄O₁₄

Average Molecular Weight

608.5032

Monoisotopic Molecular Weight

608.116605476

IUPAC Name

5,13-bis(3,4,5-trihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaene-6,9,17,19,21-pentol

Traditional Name

5,13-bis(3,4,5-trihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaene-6,9,17,19,21-pentol

CAS Registry Number

Not Available

SMILES

OC1CC2=C(O)C=C3OC4(OC5=CC(O)=CC(O)=C5C(C4O)C3=C2OC1C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1

InChI Identifier

InChI=1S/C30H24O14/c31-11-5-14(33)22-20(6-11)43-30(10-3-17(36)26(40)18(37)4-10)29(41)24(22)23-21(44-30)8-13(32)12-7-19(38)27(42-28(12)23)9-1-15(34)25(39)16(35)2-9/h1-6,8,19,24,27,29,31-41H,7H2

InChI Key

SJDDGZBVGOKCKT-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Biflavonoids and polyflavonoids

Direct Parent

Biflavonoids and polyflavonoids

Alternative Parents

Not Available

Substituents

Not Available

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0036336)
Cytoplasm (HMDB: HMDB0036336)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0036336)

Source

Exogenous

Food

Food (HMDB: HMDB0036336)

Fruit

Fruits (FooDB: FOOD00871)

Endogenous

Plant

Plant (HMDB: HMDB0036336)

Not Available

Nutrient (HMDB: HMDB0036336)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.21 g/L	ALOGPS
logP	2.25	ALOGPS
logP	2.98	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	8.42	ChemAxon
pKa (Strongest Basic)	-5.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	250.22 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	148.16 m³·mol⁻¹	ChemAxon
Polarizability	58.56 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	235.354	31661259
DarkChem	[M-H]-	225.213	31661259
DeepCCS	[M+H]+	235.278	30932474
DeepCCS	[M-H]-	233.421	30932474
DeepCCS	[M-2H]-	266.659	30932474
DeepCCS	[M+Na]+	240.884	30932474
AllCCS	[M+H]+	239.2	32859911
AllCCS	[M+H-H2O]+	237.7	32859911
AllCCS	[M+NH4]+	240.5	32859911
AllCCS	[M+Na]+	240.8	32859911
AllCCS	[M-H]-	235.4	32859911
AllCCS	[M+Na-2H]-	237.1	32859911
AllCCS	[M+HCOO]-	239.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Prodelphinidin A1	OC1CC2=C(O)C=C3OC4(OC5=CC(O)=CC(O)=C5C(C4O)C3=C2OC1C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1	7396.7	Standard polar	33892256
Prodelphinidin A1	OC1CC2=C(O)C=C3OC4(OC5=CC(O)=CC(O)=C5C(C4O)C3=C2OC1C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1	5591.3	Standard non polar	33892256
Prodelphinidin A1	OC1CC2=C(O)C=C3OC4(OC5=CC(O)=CC(O)=C5C(C4O)C3=C2OC1C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1	6167.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Prodelphinidin A1,1TMS,isomer #1	C[Si](C)(C)OC1CC2=C(O)C=C3OC4(C5=CC(O)=C(O)C(O)=C5)OC5=CC(O)=CC(O)=C5C(C3=C2OC1C1=CC(O)=C(O)C(O)=C1)C4O	6012.3	Semi standard non polar	33892256
Prodelphinidin A1,1TMS,isomer #2	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	6012.8	Semi standard non polar	33892256
Prodelphinidin A1,1TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	6032.9	Semi standard non polar	33892256
Prodelphinidin A1,1TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	6036.9	Semi standard non polar	33892256
Prodelphinidin A1,1TMS,isomer #5	C[Si](C)(C)OC1C2C3=C(O)C=C(O)C=C3OC1(C1=CC(O)=C(O)C(O)=C1)OC1=CC(O)=C3CC(O)C(C4=CC(O)=C(O)C(O)=C4)OC3=C12	6046.5	Semi standard non polar	33892256
Prodelphinidin A1,1TMS,isomer #6	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O)=C1O	6036.9	Semi standard non polar	33892256
Prodelphinidin A1,1TMS,isomer #7	C[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)C=C1O	6027.8	Semi standard non polar	33892256
Prodelphinidin A1,1TMS,isomer #8	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O)=CC(O)=C1O	6028.8	Semi standard non polar	33892256
Prodelphinidin A1,1TMS,isomer #9	C[Si](C)(C)OC1=C(O)C=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O)C=C1O	6016.9	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5859.8	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #10	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5902.4	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #11	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(C=C(O)C=C3O[Si](C)(C)C)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5849.7	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #12	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	5879.7	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #13	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O[Si](C)(C)C)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O)=CC(O)=C1O	5854.7	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #14	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O	5878.1	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #15	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5861.1	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #16	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5871.0	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	5888.5	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	5902.8	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O[Si](C)(C)C	5894.9	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #2	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O)=C1O	5860.7	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5894.2	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O[Si](C)(C)C)C(O)=C5)OC4=C3C2C1O	5919.1	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #22	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O)=C1O	5856.2	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #23	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5894.8	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #24	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O)=CC(O)=C1O	5853.4	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O	5875.4	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #26	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5884.9	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #27	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O[Si](C)(C)C)=CC(O)=C1O	5858.7	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #28	C[Si](C)(C)OC1=C(O)C=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O[Si](C)(C)C)C=C1O	5892.7	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #29	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O[Si](C)(C)C)=CC(O)=C1O	5860.8	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #3	C[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)C=C1O	5908.0	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #30	C[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O[Si](C)(C)C)C=C1O	5907.0	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #31	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)(O2)C3O)=CC(O)=C1O	5871.4	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #32	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O)=CC(O)=C1O	5911.5	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #33	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O[Si](C)(C)C)=C1O	5855.5	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #34	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O)=C1O[Si](C)(C)C	5861.2	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #35	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C5)O2)C3O)=CC(O)=C1O	5931.5	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #36	C[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O)C=C1O	5947.0	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #37	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O)=CC(O[Si](C)(C)C)=C1O	5844.3	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #38	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O)=CC(O)=C1O[Si](C)(C)C	5848.9	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5864.9	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #5	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	5880.5	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #6	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O)=CC(O)=C1O	5848.9	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #7	C[Si](C)(C)OC1=C(O)C=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O)C=C1O	5891.7	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #8	C[Si](C)(C)OC1CC2=C(O)C=C3OC4(C5=CC(O)=C(O)C(O)=C5)OC5=CC(O)=CC(O)=C5C(C3=C2OC1C1=CC(O)=C(O)C(O)=C1)C4O[Si](C)(C)C	5860.3	Semi standard non polar	33892256
Prodelphinidin A1,2TMS,isomer #9	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O)=C1O	5860.4	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #1	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O)=C1O	5750.0	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #10	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)(O2)C3O)=CC(O)=C1O	5757.5	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #100	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5728.6	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #11	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O)=CC(O)=C1O	5767.1	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #12	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O[Si](C)(C)C)=CC(O)=C1O	5720.0	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #13	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O[Si](C)(C)C)=C1O	5764.0	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #14	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O)=C1O[Si](C)(C)C	5753.0	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5735.6	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #16	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O[Si](C)(C)C)C(O)=C5)OC4=C3C2C1O	5768.4	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #17	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O)=CC(O)=C1O	5783.9	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #18	C[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O)C=C1O	5790.0	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #19	C[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O[Si](C)(C)C)C=C1O	5755.5	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #2	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5754.7	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #20	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5739.4	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #21	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O)=CC(O)=C1O	5722.4	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O	5718.1	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #23	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5740.4	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #24	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	5758.8	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	5749.0	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #26	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O[Si](C)(C)C	5757.4	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #27	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O[Si](C)(C)C)=CC(O)=C1O	5719.6	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #28	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O)=CC(O[Si](C)(C)C)=C1O	5744.9	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #29	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O)=CC(O)=C1O[Si](C)(C)C	5730.4	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #3	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(C=C(O)C=C3O[Si](C)(C)C)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5730.2	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #30	C[Si](C)(C)OC1=C(O)C=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O[Si](C)(C)C)C=C1O	5739.4	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #31	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O)=C1O	5728.5	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #32	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O)C(C5=CC(O)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5761.8	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #33	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)(O2)C3O)=CC(O)=C1O	5751.4	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #34	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O)=CC(O)=C1O	5713.7	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #35	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O[Si](C)(C)C)=CC(O)=C1O	5712.7	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #36	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O[Si](C)(C)C)=C1O	5774.0	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #37	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5741.0	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #38	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O3)C1C3=C(C=C(O)C=C3O[Si](C)(C)C)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5708.8	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #39	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O)C(C5=CC(O)=C(O[Si](C)(C)C)C(O)=C5)OC4=C3C2C1O	5743.6	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	5759.2	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #40	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O[Si](C)(C)C)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C5)O2)C3O)=CC(O)=C1O	5734.3	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #41	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O	5700.1	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #42	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5716.3	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #43	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5722.7	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #44	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O[Si](C)(C)C)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O)=CC(O)=C1O	5725.3	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #45	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(C=C(O)C=C3O[Si](C)(C)C)OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O	5691.1	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #46	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(C=C(O)C=C3O[Si](C)(C)C)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5729.1	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #47	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	5757.1	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #48	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	5721.1	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #49	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O[Si](C)(C)C	5734.2	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #5	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O[Si](C)(C)C)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O)=CC(O)=C1O	5740.1	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #50	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O[Si](C)(C)C)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O[Si](C)(C)C)=CC(O)=C1O	5719.4	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #51	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O[Si](C)(C)C)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O)=CC(O[Si](C)(C)C)=C1O	5763.0	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #52	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(O2)C1O	5723.1	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #53	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O[Si](C)(C)C	5694.0	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #54	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5731.2	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #55	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5717.5	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #56	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)(O2)C1O	5731.2	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #57	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O	5696.3	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #58	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5739.8	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #59	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	5775.4	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #6	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O	5735.2	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #60	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	5728.8	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #61	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O[Si](C)(C)C	5737.2	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #62	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5755.4	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #63	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O[Si](C)(C)C)C(O)=C5)OC4=C3C2C1O	5743.2	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #64	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O[Si](C)(C)C	5709.4	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #65	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5718.8	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #66	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O[Si](C)(C)C)C(O)=C5)OC4=C3C2C1O	5708.3	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #67	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O[Si](C)(C)C	5735.3	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #68	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O[Si](C)(C)C)C(O)=C5)OC4=C3C2C1O[Si](C)(C)C	5732.1	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #69	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5782.4	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #7	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5724.5	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #70	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5748.3	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #71	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)(O2)C3O)=CC(O)=C1O	5719.1	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #72	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O)=CC(O)=C1O	5680.9	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #73	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O[Si](C)(C)C)=CC(O)=C1O	5724.6	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #74	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O[Si](C)(C)C)=C1O	5752.7	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #75	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O)=C1O[Si](C)(C)C	5712.6	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #76	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C5)O2)C3O)=CC(O)=C1O	5707.9	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #77	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O	5684.5	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #78	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5734.7	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #79	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O[Si](C)(C)C)=CC(O)=C1O	5728.8	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #8	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O)=C1O	5730.7	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #80	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O)=CC(O[Si](C)(C)C)=C1O	5745.3	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #81	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O)=CC(O)=C1O[Si](C)(C)C	5697.9	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #82	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O[Si](C)(C)C	5712.1	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #83	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)(O2)C3O[Si](C)(C)C)=CC(O)=C1O	5719.9	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #84	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C5)O2)C3O[Si](C)(C)C)=CC(O)=C1O	5733.3	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #85	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5726.7	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #86	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5709.5	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #87	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O[Si](C)(C)C)=CC(O)=C1O	5699.0	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #88	C[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O[Si](C)(C)C)C=C1O	5708.3	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #89	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5724.9	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5766.7	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #90	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5719.0	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #91	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)(O2)C3O)=CC(O)=C1O	5772.7	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #92	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)(O2)C3O)=CC(O)=C1O	5726.0	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #93	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)C(O)C5)O2)C3O)=CC(O)=C1O	5774.3	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #94	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C(O)C5)O2)C3O)=CC(O)=C1O	5743.0	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #95	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O)=CC(O[Si](C)(C)C)=C1O	5747.0	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #96	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O)=CC(O)=C1O[Si](C)(C)C	5733.8	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #97	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5748.8	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #98	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C5)O2)C3O)=CC(O[Si](C)(C)C)=C1O	5767.8	Semi standard non polar	33892256
Prodelphinidin A1,3TMS,isomer #99	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C5)O2)C3O)=CC(O)=C1O[Si](C)(C)C	5738.9	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #1	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O)=C1O	5609.2	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #10	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O[Si](C)(C)C)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O)=CC(O)=C1O	5591.5	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #100	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O[Si](C)(C)C)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C5)O2)C3O[Si](C)(C)C)=CC(O)=C1O	5519.0	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #101	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O[Si](C)(C)C)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C5)O2)C3O)=CC(O[Si](C)(C)C)=C1O	5539.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #102	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(O2)C1O	5511.5	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #103	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O[Si](C)(C)C	5448.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #104	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)(O2)C1O	5555.4	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #105	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O	5500.5	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #106	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5598.1	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #107	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O[Si](C)(C)C)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O[Si](C)(C)C)=CC(O)=C1O	5587.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #108	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O[Si](C)(C)C)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O)=CC(O[Si](C)(C)C)=C1O	5568.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #109	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(C=C(O)C=C3O[Si](C)(C)C)OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(O2)C1O	5548.1	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #11	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O	5530.6	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #110	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(C=C(O)C=C3O[Si](C)(C)C)OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O[Si](C)(C)C	5538.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #111	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	5611.5	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #112	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	5584.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #113	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O[Si](C)(C)C	5592.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #114	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O[Si](C)(C)C	5538.5	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #115	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O[Si](C)(C)C)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5611.3	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #116	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(O2)C1O[Si](C)(C)C	5578.9	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #117	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(O2)C1O	5636.9	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #118	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5582.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #119	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5576.6	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #12	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5602.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #120	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)(O2)C1O	5519.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #121	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C4)OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O	5451.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #122	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5594.1	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #123	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)(O2)C1O	5477.2	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #124	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O	5427.0	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #125	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5569.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #126	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)OC(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)(O2)C1O	5581.3	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #127	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(O2)C1O	5556.9	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #128	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)(O2)C1O[Si](C)(C)C	5598.1	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #129	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O[Si](C)(C)C	5543.1	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #13	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5622.9	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #130	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	5639.2	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #131	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O[Si](C)(C)C	5616.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #132	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5578.2	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #133	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O[Si](C)(C)C)C(O)=C5)OC4=C3C2C1O	5544.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #134	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O[Si](C)(C)C	5583.2	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #135	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5546.0	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #136	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O[Si](C)(C)C)C(O)=C5)OC4=C3C2C1O	5513.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #137	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O[Si](C)(C)C	5558.4	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #138	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O[Si](C)(C)C)C(O)=C5)OC4=C3C2C1O[Si](C)(C)C	5527.3	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #139	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5581.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #14	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O[Si](C)(C)C)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O)=CC(O)=C1O	5602.6	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #140	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5565.5	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #141	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O[Si](C)(C)C	5497.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #142	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O[Si](C)(C)C)C(O)=C5)OC4=C3C2C1O[Si](C)(C)C	5452.0	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #143	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5521.9	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #144	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5504.9	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #145	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O[Si](C)(C)C	5614.3	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #146	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O[Si](C)(C)C	5600.4	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #147	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5660.6	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #148	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)(O2)C3O)=CC(O)=C1O	5537.6	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #149	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)(O2)C3O)=CC(O)=C1O	5514.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #15	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(C=C(O)C=C3O[Si](C)(C)C)OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O	5571.3	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #150	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)(O2)C3O[Si](C)(C)C)=CC(O)=C1O	5561.2	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #151	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)C(O)C5)O2)C3O)=CC(O)=C1O	5539.9	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #152	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C(O)C5)O2)C3O)=CC(O)=C1O	5533.0	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #153	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O[Si](C)(C)C)=CC(O)=C1O	5501.1	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #154	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O)=CC(O[Si](C)(C)C)=C1O	5478.6	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #155	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O)=CC(O)=C1O[Si](C)(C)C	5466.2	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #156	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5607.1	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #157	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5592.5	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #158	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5623.4	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #159	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C5)O2)C3O[Si](C)(C)C)=CC(O)=C1O	5533.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #16	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(C=C(O)C=C3O[Si](C)(C)C)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5629.9	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #160	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C5)O2)C3O)=CC(O[Si](C)(C)C)=C1O	5504.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #161	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C5)O2)C3O)=CC(O)=C1O[Si](C)(C)C	5476.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #162	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O[Si](C)(C)C	5471.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #163	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5613.9	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #164	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5581.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #165	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5605.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #166	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)(O2)C3O[Si](C)(C)C)=CC(O)=C1O	5575.3	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #167	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)(O2)C3O[Si](C)(C)C)=CC(O)=C1O	5553.0	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #168	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)C(O)C5)O2)C3O[Si](C)(C)C)=CC(O)=C1O	5576.0	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #169	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C(O)C5)O2)C3O[Si](C)(C)C)=CC(O)=C1O	5573.5	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	5637.1	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #170	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C5)O2)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5557.9	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #171	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C5)O2)C3O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5539.2	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #172	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5622.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #173	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5520.6	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #174	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5521.5	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #175	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5632.0	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #176	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)(O2)C3O)=CC(O)=C1O	5619.0	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #177	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)(O2)C3O)=CC(O[Si](C)(C)C)=C1O	5603.3	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #178	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C(O)C5)O2)C3O)=CC(O[Si](C)(C)C)=C1O	5585.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #179	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)(O2)C3O)=CC(O[Si](C)(C)C)=C1O	5573.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	5605.0	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #180	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)(O2)C3O)=CC(O)=C1O[Si](C)(C)C	5564.9	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #181	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C(O)C5)O2)C3O)=CC(O)=C1O	5635.6	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #182	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5595.1	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #183	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C5)O2)C3O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5600.9	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O[Si](C)(C)C	5638.0	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5643.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #20	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O[Si](C)(C)C)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O[Si](C)(C)C)=CC(O)=C1O	5622.5	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #21	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O[Si](C)(C)C)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O)=CC(O[Si](C)(C)C)=C1O	5650.4	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #22	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(O2)C1O	5626.9	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #23	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O[Si](C)(C)C	5583.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #24	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5619.1	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #25	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)(O2)C3O)=CC(O)=C1O	5586.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #26	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O)=CC(O)=C1O	5534.1	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #27	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O[Si](C)(C)C)=CC(O)=C1O	5622.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #28	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O[Si](C)(C)C)=C1O	5635.4	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #29	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O)=C1O[Si](C)(C)C	5618.2	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #3	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)(O2)C3O)=CC(O)=C1O	5623.9	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5620.4	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #31	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5570.1	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #32	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O[Si](C)(C)C	5631.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #33	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O[Si](C)(C)C)C(C5=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5672.9	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #34	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5654.6	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #35	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)(O2)C3O)=CC(O)=C1O	5638.3	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #36	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)(O2)C3O)=CC(O)=C1O	5614.4	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #37	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)(O2)C3O[Si](C)(C)C)=CC(O)=C1O	5613.2	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #38	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)C(O[Si](C)(C)C)C5)O2)C3O)=CC(O)=C1O	5643.6	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #39	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C(O[Si](C)(C)C)C5)O2)C3O)=CC(O)=C1O	5632.6	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #4	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O)=CC(O)=C1O	5577.6	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #40	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O[Si](C)(C)C)=CC(O)=C1O	5571.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #41	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O)=CC(O[Si](C)(C)C)=C1O	5603.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #42	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O)=CC(O)=C1O[Si](C)(C)C	5597.2	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #43	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5642.2	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #44	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5624.0	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #45	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5684.5	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #46	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5597.5	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #47	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O)=CC(O)=C1O	5557.2	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #48	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C4)OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O	5484.6	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #49	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5614.1	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #5	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O[Si](C)(C)C)=CC(O)=C1O	5616.6	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #50	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O[Si](C)(C)C)C(O)=C5)OC4=C3C2C1O	5592.0	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #51	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O[Si](C)(C)C)C(O)=C5)OC4=C3C2C1O	5515.1	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #52	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O[Si](C)(C)C)C(O)=C5)OC4=C3C2C1O[Si](C)(C)C	5619.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #53	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O[Si](C)(C)C)=CC(O)=C1O	5600.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #54	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O)=CC(O[Si](C)(C)C)=C1O	5620.6	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #55	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O)=CC(O)=C1O[Si](C)(C)C	5601.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #56	C[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O[Si](C)(C)C)C=C1O	5557.3	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #57	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)(O2)C1O	5615.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #58	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O	5576.6	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #59	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5637.1	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #6	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O[Si](C)(C)C)=C1O	5664.6	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #60	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O[Si](C)(C)C)=CC(O)=C1O	5625.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #61	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O)=CC(O[Si](C)(C)C)=C1O	5623.5	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #62	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O)=CC(O)=C1O[Si](C)(C)C	5598.2	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #63	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O[Si](C)(C)C	5592.3	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #64	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	5660.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #65	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	5631.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #66	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O[Si](C)(C)C	5631.0	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #67	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O[Si](C)(C)C	5595.4	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #68	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5640.2	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #69	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5610.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #7	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5646.2	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #70	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C5)O2)C3O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5655.4	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #71	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5556.2	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #72	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)(O2)C3O)=CC(O)=C1O	5512.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #73	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O)=CC(O)=C1O	5448.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #74	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O[Si](C)(C)C)=CC(O)=C1O	5584.2	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #75	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C)OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O[Si](C)(C)C)=C1O	5572.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #76	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O3)C1C3=C(C=C(O)C=C3O[Si](C)(C)C)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5566.1	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #77	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O)C(C5=CC(O)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5553.3	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #78	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O)C(C5=CC(O)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5490.3	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #79	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O)C(C5=CC(O)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O[Si](C)(C)C	5590.6	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #8	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O3)C1C3=C(C=C(O)C=C3O[Si](C)(C)C)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5588.9	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #80	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O)C(C5=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5614.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #81	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O)C(C5=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)OC4=C3C2C1O	5603.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #82	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)(O2)C3O)=CC(O)=C1O	5570.6	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #83	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)(O2)C3O)=CC(O)=C1O	5544.1	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #84	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)(O2)C3O[Si](C)(C)C)=CC(O)=C1O	5558.6	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #85	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O[Si](C)(C)C)C5=C4OC(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)C(O)C5)O2)C3O)=CC(O)=C1O	5570.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #86	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O[Si](C)(C)C)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C(O)C5)O2)C3O)=CC(O)=C1O	5558.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #87	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O[Si](C)(C)C)=CC(O)=C1O	5485.2	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #88	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)(O2)C3O)=CC(O[Si](C)(C)C)=C1O	5519.4	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #89	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O	5503.6	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O[Si](C)(C)C)C(C5=CC(O)=C(O[Si](C)(C)C)C(O)=C5)OC4=C3C2C1O	5623.5	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #90	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5605.8	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #91	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5592.5	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #92	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5655.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #93	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	5518.1	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #94	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(C=C(O[Si](C)(C)C)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C5)O2)C3O)=CC(O)=C1O	5474.4	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #95	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O3)C1C3=C(C=C(O)C=C3O[Si](C)(C)C)OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O	5423.3	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #96	C[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O3)C1C3=C(C=C(O)C=C3O[Si](C)(C)C)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5564.2	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #97	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O)C(C5=CC(O)=C(O[Si](C)(C)C)C(O)=C5)OC4=C3C2C1O	5513.4	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #98	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O)C(C5=CC(O)=C(O[Si](C)(C)C)C(O)=C5)OC4=C3C2C1O	5465.7	Semi standard non polar	33892256
Prodelphinidin A1,4TMS,isomer #99	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=C4CC(O)C(C5=CC(O)=C(O[Si](C)(C)C)C(O)=C5)OC4=C3C2C1O[Si](C)(C)C	5562.4	Semi standard non polar	33892256
Prodelphinidin A1,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1CC2=C(O)C=C3OC4(C5=CC(O)=C(O)C(O)=C5)OC5=CC(O)=CC(O)=C5C(C3=C2OC1C1=CC(O)=C(O)C(O)=C1)C4O	6234.0	Semi standard non polar	33892256
Prodelphinidin A1,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	6202.0	Semi standard non polar	33892256
Prodelphinidin A1,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	6216.9	Semi standard non polar	33892256
Prodelphinidin A1,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	6210.6	Semi standard non polar	33892256
Prodelphinidin A1,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C2C3=C(O)C=C(O)C=C3OC1(C1=CC(O)=C(O)C(O)=C1)OC1=CC(O)=C3CC(O)C(C4=CC(O)=C(O)C(O)=C4)OC3=C12	6239.7	Semi standard non polar	33892256
Prodelphinidin A1,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O)=C1O	6231.6	Semi standard non polar	33892256
Prodelphinidin A1,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)C=C1O	6268.6	Semi standard non polar	33892256
Prodelphinidin A1,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O)=CC(O)=C1O	6226.3	Semi standard non polar	33892256
Prodelphinidin A1,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O)C=C1O	6253.4	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC2=C(C3=C1CC(O[Si](C)(C)C(C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	6361.3	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	6407.5	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	6357.3	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	6373.6	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O[Si](C)(C)C(C)(C)C)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O)=CC(O)=C1O	6362.7	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)(O2)C1O	6388.9	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC2=C(C3=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O3)C1C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C(C)(C)C	6356.0	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	6366.3	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	6380.0	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	6405.7	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O[Si](C)(C)C(C)(C)C	6377.7	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C(C)(C)C)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O)=C1O	6371.6	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C5)OC4=C3C2C1O	6384.4	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O)C(C5=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C5)OC4=C3C2C1O	6421.8	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(C=C(O)C=C4O[Si](C)(C)C(C)(C)C)OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O)=C1O	6370.0	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	6399.8	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O)=CC(O)=C1O	6362.9	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)(O2)C1O	6384.4	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C(C)(C)C	6376.2	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O[Si](C)(C)C(C)(C)C)=CC(O)=C1O	6360.3	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O[Si](C)(C)C(C)(C)C)C=C1O	6374.7	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O[Si](C)(C)C(C)(C)C)=CC(O)=C1O	6362.3	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O[Si](C)(C)C(C)(C)C)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)C=C1O	6409.0	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O[Si](C)(C)C(C)(C)C)C=C1O	6392.1	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)(O2)C3O)=CC(O)=C1O	6383.1	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)(O2)C3O)=CC(O)=C1O	6422.0	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	6382.7	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	6376.2	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)C(O)C5)O2)C3O)=CC(O)=C1O	6436.2	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O)C(O)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)(O2)C3O)C=C1O	6460.2	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	6369.5	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O)C5)O2)C3O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	6356.9	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C4)OC(C3=CC(O)=C(O)C(O)=C3)(O2)C1O	6369.2	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=C4CC(O[Si](C)(C)C(C)(C)C)C(C5=CC(O)=C(O)C(O)=C5)OC4=C3C2C1O	6376.3	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C(C)(C)C)C5)O2)C3O)=CC(O)=C1O	6362.8	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(C=C(O)C5=C4OC(C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C(C)(C)C)C5)O2)C3O)C=C1O	6392.3	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1CC2=C(O)C=C3OC4(C5=CC(O)=C(O)C(O)=C5)OC5=CC(O)=CC(O)=C5C(C3=C2OC1C1=CC(O)=C(O)C(O)=C1)C4O[Si](C)(C)C(C)(C)C	6359.6	Semi standard non polar	33892256
Prodelphinidin A1,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C(C)(C)C)=CC2=C3C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)(O2)C3O)=CC(O)=C1O	6368.1	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (Non-derivatized) - 70eV, Positive	splash10-001l-0602790000-e21d1a8a9479862b6c76	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (1 TMS) - 70eV, Positive	splash10-00b9-9601045000-952c08f27ff986b2409c	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin A1 GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin A1 10V, Positive-QTOF	splash10-0a4l-0410948000-e7d7ecd1e682eedbd634	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin A1 20V, Positive-QTOF	splash10-002f-0410920000-25c9a49bb58e52946895	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin A1 40V, Positive-QTOF	splash10-004i-0910010000-4f2567e4d170d2b751b7	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin A1 10V, Negative-QTOF	splash10-0a4i-0110219000-ebd862b89ddabdaea532	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin A1 20V, Negative-QTOF	splash10-05n0-0900542000-125a444bd2c501646d9f	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin A1 40V, Negative-QTOF	splash10-004i-0910100000-093b38e886c394271f6a	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin A1 10V, Negative-QTOF	splash10-0a4i-0000009000-ecc51f057a545f13e9b5	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin A1 20V, Negative-QTOF	splash10-0a4i-0100359000-70279fc9b72f80f3fd1e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin A1 40V, Negative-QTOF	splash10-0a4r-3403691000-a35bb0b96b30dbfcb969	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin A1 10V, Positive-QTOF	splash10-0a4i-0000239000-2e6592176f0cd03e16ee	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin A1 20V, Positive-QTOF	splash10-0a4i-0000629000-79c008a9ef24b3077ea5	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin A1 40V, Positive-QTOF	splash10-0a4r-0607940000-e8e37db57c782df8674e	2021-09-22	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB015207

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14521015

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Prodelphinidin A1 (HMDB0036336)

MOL for HMDB0036336 (Prodelphinidin A1)

3D MOL for HMDB0036336 (Prodelphinidin A1)

3D SDF for HMDB0036336 (Prodelphinidin A1)

3D-SDF for HMDB0036336 (Prodelphinidin A1)

PDB for HMDB0036336 (Prodelphinidin A1)

3D PDB for HMDB0036336 (Prodelphinidin A1)

SMILES for HMDB0036336 (Prodelphinidin A1)

INCHI for HMDB0036336 (Prodelphinidin A1)

Structure for HMDB0036336 (Prodelphinidin A1)

3D Structure for HMDB0036336 (Prodelphinidin A1)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra