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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:40:15 UTC

Update Date

2022-03-07 02:55:44 UTC

HMDB ID

HMDB0038367

Secondary Accession Numbers

HMDB38367

Metabolite Identification

Common Name

Procyanidin B6

Description

Procyanidin B6 belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol. Procyanidin B6 has been detected, but not quantified in, a few different foods, such as common grapes (Vitis vinifera), fruits, and lingonberries (Vaccinium vitis-idaea). This could make procyanidin B6 a potential biomarker for the consumption of these foods. Based on a literature review a small amount of articles have been published on Procyanidin B6.

Structure

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


  Mrv0541 02241218482D          

 42 47  0  0  0  0            999 V2000
   -0.4403   -1.0916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0278   -0.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7972   -0.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7972    1.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    1.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0347    0.3373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4472    1.0518    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0347    1.7662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9222    2.4807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5097    1.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6847    1.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2722    1.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6847    0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5097    0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9222    1.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7472    1.0518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4403    1.7662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0278    1.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4403    0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2653    0.3373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6778    1.0518    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2653    1.7662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5979   -1.5766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2653   -1.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6778   -0.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5028   -0.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9153   -1.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5028   -1.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6778   -1.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9153   -2.5206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9153    0.3373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5028    1.0518    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9153    1.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5028    2.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9153    3.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5028    3.9096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7403    1.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1528    2.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7403    3.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1528    3.9096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4472   -0.3772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  1  0  0  0
 22 33  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 32  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  6  0  0  0
 34 35  2  0  0  0  0
 34 38  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 40  2  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
  7 42  1  1  0  0  0
 21 20  1  1  0  0  0
M  END

HMDB0038367
     RDKit          3D
Procyanidin B6
 68 73  0  0  0  0  0  0  0  0999 V2000
   -3.6711    0.5972    4.9822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2413    0.2807    3.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5474   -0.8904    3.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0852   -1.2806    2.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3802   -2.4648    2.1189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3295   -0.4692    1.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0269    0.7007    1.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4803    1.0770    2.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2392    1.4711    0.2392 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3276    0.9432   -1.0544 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8086    0.9051   -1.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2687    1.3227   -2.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6340    1.2696   -2.8071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5291    0.8219   -1.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9013    0.7852   -2.1204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0536    0.4068   -0.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9102   -0.0484    0.3473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7050    0.4536   -0.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7117   -0.3982   -1.2035 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1376   -0.5214   -2.4824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8286   -0.9015   -0.1310 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3871   -0.7339   -0.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3270   -1.7448   -0.9445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3368   -2.8621   -1.4295 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6904   -1.6569   -1.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004   -0.5782   -0.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7170    0.4264   -0.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3242    0.3358    0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2645    1.3828    0.8036 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448    1.6192    0.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6903    1.6686   -0.0761 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3857    0.4855    0.2045 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8402    0.6183    0.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6597    0.1216    1.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0383    0.2150    0.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6165    0.8370   -0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0153    0.9523   -0.1999 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8225    1.3367   -1.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4095    1.9556   -2.1818 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4355    1.2302   -1.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9025   -0.5071   -0.8509 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5048   -1.7296   -0.5623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1880    1.4345    5.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3352   -1.5569    4.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2142   -3.0387    2.9341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0222    2.0015    2.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8790    1.6209   -1.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5749    1.6793   -3.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0252    1.5901   -3.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5340    0.4525   -1.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5586   -0.3453    1.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3055    0.1254    0.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5914   -1.1178   -1.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1309    0.3431   -2.9637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0511   -2.0459   -0.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2047   -3.5739   -1.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.4471   -1.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1758    2.1908    1.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4486    1.6224    1.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8888    2.5252    0.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1377    0.1128    1.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2357   -0.3685    1.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6665   -0.1807    1.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5935    0.5749    0.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9137    2.3543   -2.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8576    1.6368   -1.8045 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1536   -0.1856   -1.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4689   -1.9418    0.4146 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  2  0
 14 15  1  0
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 16 18  2  0
 10 19  1  0
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 38 40  2  0
 32 41  1  0
 41 42  1  0
  8  2  1  0
 18 11  1  0
 28 22  1  0
 40 33  1  0
 21  6  1  0
 41 26  1  0
  1 43  1  0
  3 44  1  0
  5 45  1  0
  8 46  1  0
 10 47  1  6
 12 48  1  0
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 15 50  1  0
 17 51  1  0
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 29 58  1  0
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 30 60  1  0
 32 61  1  1
 34 62  1  0
 35 63  1  0
 37 64  1  0
 39 65  1  0
 40 66  1  0
 41 67  1  6
 42 68  1  0
M  END


  Mrv0541 02241218482D          

 42 47  0  0  0  0            999 V2000
   -0.4403   -1.0916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0278   -0.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7972   -0.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7972    1.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    1.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0347    0.3373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4472    1.0518    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0347    1.7662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9222    2.4807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5097    1.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6847    1.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2722    1.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6847    0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5097    0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9222    1.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7472    1.0518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4403    1.7662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0278    1.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4403    0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6778   -1.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9153    0.3373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5028    1.0518    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9153    1.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5028    2.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9153    3.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5028    3.9096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7403    1.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1528    2.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7403    3.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1528    3.9096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4472   -0.3772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  1  0  0  0
 22 33  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 32  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  6  0  0  0
 34 35  2  0  0  0  0
 34 38  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 40  2  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
  7 42  1  1  0  0  0
 21 20  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0038367

> <DATABASE_NAME>
hmdb

> <SMILES>
O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2[C@@H]1C1=C(O)C2=C(C=C1O)[C@H](O)[C@H](OC2)C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H26O12/c31-13-7-20(36)23-22(8-13)42-30(12-2-4-17(33)19(35)6-12)28(40)25(23)24-21(37)9-14-15(26(24)38)10-41-29(27(14)39)11-1-3-16(32)18(34)5-11/h1-9,25,27-40H,10H2/t25-,27+,28+,29-,30-/m1/s1

> <INCHI_KEY>
OHIUVDQGXUITJQ-AARHSHDHSA-N

> <FORMULA>
C30H26O12

> <MOLECULAR_WEIGHT>
578.5202

> <EXACT_MASS>
578.142426296

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
57.988676930680654

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(3R,4S)-3-(3,4-dihydroxyphenyl)-4,6,8-trihydroxy-3,4-dihydro-1H-2-benzopyran-7-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

> <ALOGPS_LOGP>
2.22

> <JCHEM_LOGP>
2.860531810666666

> <ALOGPS_LOGS>
-3.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.990883268843831

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.552048816378782

> <JCHEM_PKA_STRONGEST_BASIC>
-5.214657642077332

> <JCHEM_POLAR_SURFACE_AREA>
220.75999999999996

> <JCHEM_REFRACTIVITY>
146.8569

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.40e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(3R,4S)-3-(3,4-dihydroxyphenyl)-4,6,8-trihydroxy-3,4-dihydro-1H-2-benzopyran-7-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0038367
     RDKit          3D
Procyanidin B6
 68 73  0  0  0  0  0  0  0  0999 V2000
   -3.6711    0.5972    4.9822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2413    0.2807    3.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5474   -0.8904    3.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0852   -1.2806    2.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3802   -2.4648    2.1189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3295   -0.4692    1.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0269    0.7007    1.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4803    1.0770    2.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2392    1.4711    0.2392 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3276    0.9432   -1.0544 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8086    0.9051   -1.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2687    1.3227   -2.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6340    1.2696   -2.8071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5291    0.8219   -1.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9013    0.7852   -2.1204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0536    0.4068   -0.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9102   -0.0484    0.3473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7050    0.4536   -0.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7117   -0.3982   -1.2035 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1376   -0.5214   -2.4824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8286   -0.9015   -0.1310 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3871   -0.7339   -0.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3270   -1.7448   -0.9445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3368   -2.8621   -1.4295 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6904   -1.6569   -1.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004   -0.5782   -0.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7170    0.4264   -0.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3242    0.3358    0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2645    1.3828    0.8036 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448    1.6192    0.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6903    1.6686   -0.0761 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3857    0.4855    0.2045 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8402    0.6183    0.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6597    0.1216    1.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0383    0.2150    0.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6165    0.8370   -0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0153    0.9523   -0.1999 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8225    1.3367   -1.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4095    1.9556   -2.1818 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4355    1.2302   -1.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9025   -0.5071   -0.8509 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5048   -1.7296   -0.5623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1880    1.4345    5.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3352   -1.5569    4.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2142   -3.0387    2.9341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0222    2.0015    2.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8790    1.6209   -1.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5749    1.6793   -3.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0252    1.5901   -3.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5340    0.4525   -1.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5586   -0.3453    1.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3055    0.1254    0.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5914   -1.1178   -1.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1309    0.3431   -2.9637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0511   -2.0459   -0.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2047   -3.5739   -1.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.4471   -1.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1758    2.1908    1.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4486    1.6224    1.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8888    2.5252    0.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1377    0.1128    1.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2357   -0.3685    1.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6665   -0.1807    1.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5935    0.5749    0.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9137    2.3543   -2.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8576    1.6368   -1.8045 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1536   -0.1856   -1.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4689   -1.9418    0.4146 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  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 10 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 27 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  2  0
 32 41  1  0
 41 42  1  0
  8  2  1  0
 18 11  1  0
 28 22  1  0
 40 33  1  0
 21  6  1  0
 41 26  1  0
  1 43  1  0
  3 44  1  0
  5 45  1  0
  8 46  1  0
 10 47  1  6
 12 48  1  0
 13 49  1  0
 15 50  1  0
 17 51  1  0
 18 52  1  0
 19 53  1  6
 20 54  1  0
 21 55  1  1
 24 56  1  0
 25 57  1  0
 29 58  1  0
 30 59  1  0
 30 60  1  0
 32 61  1  1
 34 62  1  0
 35 63  1  0
 37 64  1  0
 39 65  1  0
 40 66  1  0
 41 67  1  6
 42 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  O   UNK     0      -0.822  -2.038   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -0.052  -0.704   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.488  -0.704   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.258   0.630   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.488   1.963   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.258   3.297   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.798   0.630   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.568   1.963   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       3.798   3.297   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       9.188   4.631   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       8.418   3.297   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.878   3.297   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.108   1.963   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.878   0.630   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.418   0.630   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.188   1.963   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      10.728   1.963   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -0.822   3.297   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -0.052   1.963   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.822   0.630   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.362   0.630   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -3.132   1.963   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -2.362   3.297   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -1.116  -2.943   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -2.362  -2.038   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -3.132  -0.704   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -4.672  -0.704   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -5.442  -2.038   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -4.672  -3.371   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -3.132  -3.371   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -5.442  -4.705   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -5.442   0.630   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -4.672   1.963   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -5.442   3.297   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -4.672   4.631   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -5.442   5.964   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -4.672   7.298   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      -6.982   3.297   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -7.752   4.631   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -6.982   5.964   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -7.752   7.298   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       4.568  -0.704   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   20                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    6   19                                                  
CONECT    6    5    9                                                       
CONECT    7    4    8   42                                                  
CONECT    8    7    9   13                                                  
CONECT    9    6    8                                                       
CONECT   10   11                                                            
CONECT   11   10   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13    8   12   14                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   11   15   17                                                  
CONECT   17   16                                                            
CONECT   18   19                                                            
CONECT   19    5   18   20                                                  
CONECT   20    2   19   21                                                  
CONECT   21   22   26   20                                                  
CONECT   22   21   23   33                                                  
CONECT   23   22                                                            
CONECT   24   25                                                            
CONECT   25   24   26   30                                                  
CONECT   26   21   25   27                                                  
CONECT   27   26   28   32                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   25   29                                                       
CONECT   31   29                                                            
CONECT   32   27   33                                                       
CONECT   33   22   32   34                                                  
CONECT   34   33   35   38                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   40                                                  
CONECT   37   36                                                            
CONECT   38   34   39                                                       
CONECT   39   38   40                                                       
CONECT   40   36   39   41                                                  
CONECT   41   40                                                            
CONECT   42    7                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   94    0
END

COMPND    HMDB0038367
HETATM    1  O1  UNL     1      -3.671   0.597   4.982  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.241   0.281   3.698  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.547  -0.890   3.536  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.085  -1.281   2.298  1.00  0.00           C  
HETATM    5  O2  UNL     1      -1.380  -2.465   2.119  1.00  0.00           O  
HETATM    6  C4  UNL     1      -2.330  -0.469   1.198  1.00  0.00           C  
HETATM    7  C5  UNL     1      -3.027   0.701   1.381  1.00  0.00           C  
HETATM    8  C6  UNL     1      -3.480   1.077   2.614  1.00  0.00           C  
HETATM    9  O3  UNL     1      -3.239   1.471   0.239  1.00  0.00           O  
HETATM   10  C7  UNL     1      -3.328   0.943  -1.054  1.00  0.00           C  
HETATM   11  C8  UNL     1      -4.809   0.905  -1.360  1.00  0.00           C  
HETATM   12  C9  UNL     1      -5.269   1.323  -2.588  1.00  0.00           C  
HETATM   13  C10 UNL     1      -6.634   1.270  -2.807  1.00  0.00           C  
HETATM   14  C11 UNL     1      -7.529   0.822  -1.857  1.00  0.00           C  
HETATM   15  O4  UNL     1      -8.901   0.785  -2.120  1.00  0.00           O  
HETATM   16  C12 UNL     1      -7.054   0.407  -0.632  1.00  0.00           C  
HETATM   17  O5  UNL     1      -7.910  -0.048   0.347  1.00  0.00           O  
HETATM   18  C13 UNL     1      -5.705   0.454  -0.401  1.00  0.00           C  
HETATM   19  C14 UNL     1      -2.712  -0.398  -1.203  1.00  0.00           C  
HETATM   20  O6  UNL     1      -2.138  -0.521  -2.482  1.00  0.00           O  
HETATM   21  C15 UNL     1      -1.829  -0.902  -0.131  1.00  0.00           C  
HETATM   22  C16 UNL     1      -0.387  -0.734  -0.296  1.00  0.00           C  
HETATM   23  C17 UNL     1       0.327  -1.745  -0.944  1.00  0.00           C  
HETATM   24  O7  UNL     1      -0.337  -2.862  -1.429  1.00  0.00           O  
HETATM   25  C18 UNL     1       1.690  -1.657  -1.115  1.00  0.00           C  
HETATM   26  C19 UNL     1       2.400  -0.578  -0.658  1.00  0.00           C  
HETATM   27  C20 UNL     1       1.717   0.426  -0.019  1.00  0.00           C  
HETATM   28  C21 UNL     1       0.324   0.336   0.155  1.00  0.00           C  
HETATM   29  O8  UNL     1      -0.264   1.383   0.804  1.00  0.00           O  
HETATM   30  C22 UNL     1       2.445   1.619   0.498  1.00  0.00           C  
HETATM   31  O9  UNL     1       3.690   1.669  -0.076  1.00  0.00           O  
HETATM   32  C23 UNL     1       4.386   0.485   0.205  1.00  0.00           C  
HETATM   33  C24 UNL     1       5.840   0.618   0.073  1.00  0.00           C  
HETATM   34  C25 UNL     1       6.660   0.122   1.055  1.00  0.00           C  
HETATM   35  C26 UNL     1       8.038   0.215   0.997  1.00  0.00           C  
HETATM   36  C27 UNL     1       8.616   0.837  -0.103  1.00  0.00           C  
HETATM   37  O10 UNL     1      10.015   0.952  -0.200  1.00  0.00           O  
HETATM   38  C28 UNL     1       7.822   1.337  -1.090  1.00  0.00           C  
HETATM   39  O11 UNL     1       8.410   1.956  -2.182  1.00  0.00           O  
HETATM   40  C29 UNL     1       6.436   1.230  -1.007  1.00  0.00           C  
HETATM   41  C30 UNL     1       3.903  -0.507  -0.851  1.00  0.00           C  
HETATM   42  O12 UNL     1       4.505  -1.730  -0.562  1.00  0.00           O  
HETATM   43  H1  UNL     1      -4.188   1.435   5.204  1.00  0.00           H  
HETATM   44  H2  UNL     1      -2.335  -1.557   4.384  1.00  0.00           H  
HETATM   45  H3  UNL     1      -1.214  -3.039   2.934  1.00  0.00           H  
HETATM   46  H4  UNL     1      -4.022   2.001   2.710  1.00  0.00           H  
HETATM   47  H5  UNL     1      -2.879   1.621  -1.819  1.00  0.00           H  
HETATM   48  H6  UNL     1      -4.575   1.679  -3.348  1.00  0.00           H  
HETATM   49  H7  UNL     1      -7.025   1.590  -3.759  1.00  0.00           H  
HETATM   50  H8  UNL     1      -9.534   0.452  -1.407  1.00  0.00           H  
HETATM   51  H9  UNL     1      -7.559  -0.345   1.226  1.00  0.00           H  
HETATM   52  H10 UNL     1      -5.305   0.125   0.572  1.00  0.00           H  
HETATM   53  H11 UNL     1      -3.591  -1.118  -1.271  1.00  0.00           H  
HETATM   54  H12 UNL     1      -2.131   0.343  -2.964  1.00  0.00           H  
HETATM   55  H13 UNL     1      -2.051  -2.046  -0.103  1.00  0.00           H  
HETATM   56  H14 UNL     1       0.205  -3.574  -1.892  1.00  0.00           H  
HETATM   57  H15 UNL     1       2.246  -2.447  -1.622  1.00  0.00           H  
HETATM   58  H16 UNL     1       0.176   2.191   1.160  1.00  0.00           H  
HETATM   59  H17 UNL     1       2.449   1.622   1.612  1.00  0.00           H  
HETATM   60  H18 UNL     1       1.889   2.525   0.117  1.00  0.00           H  
HETATM   61  H19 UNL     1       4.138   0.113   1.202  1.00  0.00           H  
HETATM   62  H20 UNL     1       6.236  -0.368   1.923  1.00  0.00           H  
HETATM   63  H21 UNL     1       8.667  -0.181   1.777  1.00  0.00           H  
HETATM   64  H22 UNL     1      10.594   0.575   0.546  1.00  0.00           H  
HETATM   65  H23 UNL     1       7.914   2.354  -2.958  1.00  0.00           H  
HETATM   66  H24 UNL     1       5.858   1.637  -1.804  1.00  0.00           H  
HETATM   67  H25 UNL     1       4.154  -0.186  -1.863  1.00  0.00           H  
HETATM   68  H26 UNL     1       4.469  -1.942   0.415  1.00  0.00           H  
CONECT    1    2   43
CONECT    2    3    3    8
CONECT    3    4   44
CONECT    4    5    6    6
CONECT    5   45
CONECT    6    7   21
CONECT    7    8    8    9
CONECT    8   46
CONECT    9   10
CONECT   10   11   19   47
CONECT   11   12   12   18
CONECT   12   13   48
CONECT   13   14   14   49
CONECT   14   15   16
CONECT   15   50
CONECT   16   17   18   18
CONECT   17   51
CONECT   18   52
CONECT   19   20   21   53
CONECT   20   54
CONECT   21   22   55
CONECT   22   23   23   28
CONECT   23   24   25
CONECT   24   56
CONECT   25   26   26   57
CONECT   26   27   41
CONECT   27   28   28   30
CONECT   28   29
CONECT   29   58
CONECT   30   31   59   60
CONECT   31   32
CONECT   32   33   41   61
CONECT   33   34   34   40
CONECT   34   35   62
CONECT   35   36   36   63
CONECT   36   37   38
CONECT   37   64
CONECT   38   39   40   40
CONECT   39   65
CONECT   40   66
CONECT   41   42   67
CONECT   42   68
END

HMDB0038367
     RDKit          3D
Procyanidin B6
 68 73  0  0  0  0  0  0  0  0999 V2000
   -3.6711    0.5972    4.9822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2413    0.2807    3.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5474   -0.8904    3.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0852   -1.2806    2.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3802   -2.4648    2.1189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3295   -0.4692    1.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0269    0.7007    1.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4803    1.0770    2.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2392    1.4711    0.2392 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3276    0.9432   -1.0544 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8086    0.9051   -1.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2687    1.3227   -2.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6340    1.2696   -2.8071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5291    0.8219   -1.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9013    0.7852   -2.1204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0536    0.4068   -0.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9102   -0.0484    0.3473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7050    0.4536   -0.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7117   -0.3982   -1.2035 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1376   -0.5214   -2.4824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8286   -0.9015   -0.1310 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3871   -0.7339   -0.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3270   -1.7448   -0.9445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3368   -2.8621   -1.4295 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6904   -1.6569   -1.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004   -0.5782   -0.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7170    0.4264   -0.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3242    0.3358    0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2645    1.3828    0.8036 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448    1.6192    0.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6903    1.6686   -0.0761 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3857    0.4855    0.2045 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8402    0.6183    0.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6597    0.1216    1.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0383    0.2150    0.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6165    0.8370   -0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0153    0.9523   -0.1999 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8225    1.3367   -1.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4095    1.9556   -2.1818 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4355    1.2302   -1.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9025   -0.5071   -0.8509 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5048   -1.7296   -0.5623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1880    1.4345    5.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3352   -1.5569    4.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2142   -3.0387    2.9341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0222    2.0015    2.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8790    1.6209   -1.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5749    1.6793   -3.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0252    1.5901   -3.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5340    0.4525   -1.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5586   -0.3453    1.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3055    0.1254    0.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5914   -1.1178   -1.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1309    0.3431   -2.9637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0511   -2.0459   -0.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2047   -3.5739   -1.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.4471   -1.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1758    2.1908    1.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4486    1.6224    1.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8888    2.5252    0.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1377    0.1128    1.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2357   -0.3685    1.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6665   -0.1807    1.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5935    0.5749    0.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9137    2.3543   -2.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8576    1.6368   -1.8045 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1536   -0.1856   -1.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4689   -1.9418    0.4146 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  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 10 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 27 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  2  0
 32 41  1  0
 41 42  1  0
  8  2  1  0
 18 11  1  0
 28 22  1  0
 40 33  1  0
 21  6  1  0
 41 26  1  0
  1 43  1  0
  3 44  1  0
  5 45  1  0
  8 46  1  0
 10 47  1  6
 12 48  1  0
 13 49  1  0
 15 50  1  0
 17 51  1  0
 18 52  1  0
 19 53  1  6
 20 54  1  0
 21 55  1  1
 24 56  1  0
 25 57  1  0
 29 58  1  0
 30 59  1  0
 30 60  1  0
 32 61  1  1
 34 62  1  0
 35 63  1  0
 37 64  1  0
 39 65  1  0
 40 66  1  0
 41 67  1  6
 42 68  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
C-(4,6)-C	HMDB
Catechin(4a->6)catechin	HMDB
Catechin-(4alpha->6)-catechin	HMDB
Procyanidin dimer b6	HMDB

Chemical Formula

C₃₀H₂₆O₁₂

Average Molecular Weight

578.5202

Monoisotopic Molecular Weight

578.142426296

IUPAC Name

(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(3R,4S)-3-(3,4-dihydroxyphenyl)-4,6,8-trihydroxy-3,4-dihydro-1H-2-benzopyran-7-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

Traditional Name

(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(3R,4S)-3-(3,4-dihydroxyphenyl)-4,6,8-trihydroxy-3,4-dihydro-1H-2-benzopyran-7-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

CAS Registry Number

12798-58-2

SMILES

O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2[C@@H]1C1=C(O)C2=C(C=C1O)[C@H](O)[C@H](OC2)C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1

InChI Identifier

InChI=1S/C30H26O12/c31-13-7-20(36)23-22(8-13)42-30(12-2-4-17(33)19(35)6-12)28(40)25(23)24-21(37)9-14-15(26(24)38)10-41-29(27(14)39)11-1-3-16(32)18(34)5-11/h1-9,25,27-40H,10H2/t25-,27+,28+,29-,30-/m1/s1

InChI Key

OHIUVDQGXUITJQ-AARHSHDHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-Tiol.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

Catechins

Alternative Parents

Substituents

Catechin
Hydroxyflavonoid
3'-hydroxyflavonoid
3-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Chromane
Benzopyran
Isochromane
1-benzopyran
2-benzopyran
Catechol
Phenol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Benzenoid
Monocyclic benzene moiety
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Ether
Dialkyl ether
Alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0038367)
Cytoplasm (HMDB: HMDB0038367)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0038367)

Source

Exogenous

Food

Food (HMDB: HMDB0038367)

Fruit

Berry

Lingonberry (FooDB: FOOD00194)
Common grape (FooDB: FOOD00204)

Fruits (FooDB: FOOD00871)

Endogenous

Plant

Plant (HMDB: HMDB0038367)

Not Available

EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor (HMDB: HMDB0038367)
angiotensin converting enzyme inhibitor (HMDB: HMDB0038367)

Nutrient

Nutrient (HMDB: HMDB0038367)

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	0.14 g/L	ALOGPS
logP	2.22	ALOGPS
logP	2.86	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	8.55	ChemAxon
pKa (Strongest Basic)	-5.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	220.76 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	146.86 m³·mol⁻¹	ChemAxon
Polarizability	57.99 Å³	ChemAxon
Number of Rings	6	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]+	228.847	31661259
DarkChem	[M-H]-	220.505	31661259
DeepCCS	[M+H]+	234.367	30932474
DeepCCS	[M-H]-	232.603	30932474
DeepCCS	[M-2H]-	266.639	30932474
DeepCCS	[M+Na]+	240.491	30932474
AllCCS	[M+H]+	237.0	32859911
AllCCS	[M+H-H2O]+	235.3	32859911
AllCCS	[M+NH4]+	238.4	32859911
AllCCS	[M+Na]+	238.8	32859911
AllCCS	[M-H]-	230.6	32859911
AllCCS	[M+Na-2H]-	232.4	32859911
AllCCS	[M+HCOO]-	234.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Procyanidin B6	O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2[C@@H]1C1=C(O)C2=C(C=C1O)[C@H](O)[C@H](OC2)C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1	7439.6	Standard polar	33892256
Procyanidin B6	O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2[C@@H]1C1=C(O)C2=C(C=C1O)[C@H](O)[C@H](OC2)C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1	5246.9	Standard non polar	33892256
Procyanidin B6	O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2[C@@H]1C1=C(O)C2=C(C=C1O)[C@H](O)[C@H](OC2)C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1	5747.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Procyanidin B6,1TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@@H](C2=C(O)C=C3C(=C2O)CO[C@H](C2=CC=C(O)C(O)=C2)[C@H]3O)C2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1	5585.7	Semi standard non polar	33892256
Procyanidin B6,1TMS,isomer #10	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)C=C1O	5649.7	Semi standard non polar	33892256
Procyanidin B6,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5656.0	Semi standard non polar	33892256
Procyanidin B6,1TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5595.0	Semi standard non polar	33892256
Procyanidin B6,1TMS,isomer #4	C[Si](C)(C)OC1=C2CO[C@H](C3=CC=C(O)C(O)=C3)[C@@H](O)C2=CC(O)=C1[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O	5480.1	Semi standard non polar	33892256
Procyanidin B6,1TMS,isomer #5	C[Si](C)(C)OC1=CC2=C(CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]2O)C(O)=C1[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O	5566.6	Semi standard non polar	33892256
Procyanidin B6,1TMS,isomer #6	C[Si](C)(C)O[C@H]1C2=CC(O)=C([C@H]3C4=C(O)C=C(O)C=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H]3O)C(O)=C2CO[C@@H]1C1=CC=C(O)C(O)=C1	5603.4	Semi standard non polar	33892256
Procyanidin B6,1TMS,isomer #7	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O	5644.5	Semi standard non polar	33892256
Procyanidin B6,1TMS,isomer #8	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)=CC=C1O	5626.0	Semi standard non polar	33892256
Procyanidin B6,1TMS,isomer #9	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)=CC=C1O	5637.3	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]2O)C(O)=C1[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O[Si](C)(C)C	5413.8	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #10	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5418.1	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5416.5	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #12	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5406.8	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5437.7	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5362.2	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]2O	5419.6	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #16	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]2O	5396.7	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O[Si](C)(C)C	5422.1	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O[Si](C)(C)C)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5447.5	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5381.4	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #2	C[Si](C)(C)OC1=C2CO[C@H](C3=CC=C(O)C(O)=C3)[C@@H](O)C2=CC(O)=C1[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O[Si](C)(C)C	5350.5	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #20	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O	5455.5	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #21	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)=CC=C1O	5427.6	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O[Si](C)(C)C)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5434.5	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #23	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)C=C1O	5449.4	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #24	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)=CC=C1O	5433.1	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #25	C[Si](C)(C)OC1=CC2=C(CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]2O)C(O[Si](C)(C)C)=C1[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O	5379.9	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #26	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)C=C1O	5356.9	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #27	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)=CC=C1O	5353.7	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #28	C[Si](C)(C)OC1=C2CO[C@H](C3=CC=C(O)C(O)=C3)[C@@H](O[Si](C)(C)C)C2=CC(O)=C1[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O	5356.3	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #29	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O)C=C1O	5362.8	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #3	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O)C=C1O	5386.6	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #30	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O)=CC=C1O	5343.4	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #31	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)C=C1O	5433.7	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #32	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)=CC=C1O	5423.4	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #33	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O	5437.5	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #34	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)=CC=C1O	5416.6	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #35	C[Si](C)(C)OC1=CC2=C(CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]2O[Si](C)(C)C)C(O)=C1[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O	5404.9	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #36	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)C=C1O	5414.5	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #37	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)=CC=C1O	5404.2	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #38	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C)C=C1O	5418.5	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #39	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C)=CC=C1O	5397.2	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #4	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O)=CC=C1O	5372.8	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #40	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O	5415.6	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #41	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O	5402.0	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #42	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O[Si](C)(C)C	5412.1	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #43	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)[C@H]4O)[C@@H]2O)C=C1O	5392.4	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #44	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O)=CC=C1O	5370.6	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #45	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)C=C1O[Si](C)(C)C	5416.9	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #5	C[Si](C)(C)O[C@H]1C2=CC(O)=C([C@H]3C4=C(O)C=C(O)C=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H]3O[Si](C)(C)C)C(O)=C2CO[C@@H]1C1=CC=C(O)C(O)=C1	5410.2	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5438.2	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5417.0	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #8	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)C=C1O	5389.4	Semi standard non polar	33892256
Procyanidin B6,2TMS,isomer #9	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)=CC=C1O	5378.4	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]2O)C(O[Si](C)(C)C)=C1[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O[Si](C)(C)C	5247.4	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5195.9	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #100	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O)C=C1O[Si](C)(C)C	5206.9	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #101	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O	5171.8	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #102	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)[C@H]4O)[C@@H]2O)C=C1O	5158.3	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #103	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)C=C1O	5225.9	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #104	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)C=C1O[Si](C)(C)C	5256.8	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #105	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O	5169.1	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #106	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O)=CC=C1O	5154.8	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #107	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)=CC=C1O	5214.5	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #108	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C)C=C1O	5230.6	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #109	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O[Si](C)(C)C	5254.0	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #11	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)C=C1O	5163.6	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #110	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C)=CC=C1O	5214.1	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #111	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C)C=C1O	5146.2	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #112	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)C=C1O	5133.9	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #113	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)C=C1O[Si](C)(C)C	5232.8	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #114	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C)C=C1O	5137.0	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #115	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C)=CC=C1O	5124.5	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #116	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5234.9	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #117	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O	5191.8	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #118	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H]4O)[C@@H]2O)C=C1O	5180.8	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #119	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H]4O)[C@@H]2O)=CC=C1O	5171.9	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #12	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)=CC=C1O	5167.4	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #120	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O)=CC=C1O	5178.0	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #13	C[Si](C)(C)OC1=C2CO[C@H](C3=CC=C(O)C(O)=C3)[C@@H](O[Si](C)(C)C)C2=CC(O)=C1[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O[Si](C)(C)C	5211.9	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #14	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O[Si](C)(C)C)[C@@H]2O)C=C1O	5172.5	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #15	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O[Si](C)(C)C)[C@@H]2O)=CC=C1O	5153.7	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #16	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O)C=C1O	5224.6	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]2O	5148.5	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #18	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O)C=C1O	5097.8	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #19	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O)C=C1O	5094.6	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O[Si](C)(C)C)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5298.2	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #20	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O[Si](C)(C)C)C=C1O	5182.9	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #21	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O)C=C1O[Si](C)(C)C	5195.5	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #22	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O)=CC=C1O	5204.2	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #23	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]2O	5138.9	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #24	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)C=C1O	5087.5	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #25	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O)=CC=C1O	5080.5	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #26	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O[Si](C)(C)C)=CC=C1O	5169.8	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #27	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5271.4	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #28	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O[Si](C)(C)C	5225.6	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #29	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O	5179.9	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5252.6	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #30	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC=C1O	5171.8	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #31	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5241.8	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #32	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)C=C1O	5220.0	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #33	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)=CC=C1O	5212.4	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #34	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5143.6	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #35	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5142.2	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #36	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5200.3	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #37	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O[Si](C)(C)C)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5291.9	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #38	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5238.9	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #39	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5205.7	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #4	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)C=C1O	5215.3	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #40	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5197.6	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #41	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O[Si](C)(C)C)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5260.4	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #42	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	5204.1	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #43	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	5205.4	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #44	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5218.5	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #45	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5207.7	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #46	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5155.0	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #47	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]2O	5158.4	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #48	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]2O	5151.0	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #49	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O[Si](C)(C)C	5188.2	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #5	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)=CC=C1O	5205.4	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #50	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5206.6	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #51	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5158.5	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #52	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]2O	5155.3	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #53	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]2O	5145.6	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #54	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O[Si](C)(C)C	5183.4	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #55	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5267.8	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #56	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]2O	5209.7	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #57	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]2O	5198.7	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #58	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O[Si](C)(C)C	5261.4	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #59	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]2O	5159.7	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #6	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O)C=C1O	5217.6	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #60	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]2O	5146.5	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #61	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O[Si](C)(C)C	5215.0	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #62	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@H]2O	5212.8	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #63	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]2O[Si](C)(C)C	5186.8	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #64	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]2O[Si](C)(C)C	5178.5	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #65	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O[Si](C)(C)C)C=C3C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5295.3	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #66	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O	5275.7	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #67	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)=CC=C1O	5253.3	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #68	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O[Si](C)(C)C)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O[Si](C)(C)C)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5295.9	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #69	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)C=C1O	5268.3	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #7	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O)=CC=C1O	5197.5	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #70	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)=CC=C1O	5258.3	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #71	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O)C=C1O	5228.3	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #72	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O)=CC=C1O	5203.7	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #73	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O[Si](C)(C)C)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5243.2	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #74	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)C=C1O	5219.2	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #75	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)=CC=C1O	5212.2	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #76	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O	5186.6	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #77	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O	5181.9	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #78	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C)C=C1O	5241.2	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #79	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O[Si](C)(C)C	5264.3	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #8	C[Si](C)(C)OC1=CC2=C(CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]2O[Si](C)(C)C)C(O)=C1[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O[Si](C)(C)C	5255.4	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #80	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)[C@H]4O)[C@@H]2O)C=C1O	5171.6	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #81	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O)=CC=C1O	5167.8	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #82	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C)=CC=C1O	5224.6	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #83	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)C=C1O	5236.6	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #84	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)=CC=C1O	5224.0	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #85	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)C=C1O[Si](C)(C)C	5264.7	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #86	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)C=C1O	5233.9	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #87	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)=CC=C1O	5226.5	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #88	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O)C=C1O	5244.1	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #89	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O)=CC=C1O	5219.9	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5240.0	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #90	C[Si](C)(C)OC1=CC2=C(CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O	5238.5	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #91	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O)C=C1O	5125.1	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #92	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)[C@H]4O)[C@@H]2O)C=C1O	5102.2	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #93	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)C=C1O	5183.9	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #94	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)C=C1O[Si](C)(C)C	5207.4	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #95	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O)C=C1O	5118.1	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #96	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O)=CC=C1O	5096.3	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #97	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)=CC=C1O	5174.4	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #98	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O	5190.7	Semi standard non polar	33892256
Procyanidin B6,3TMS,isomer #99	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC=C1O	5175.8	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #1	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O[Si](C)(C)C)C=C3C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5189.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #10	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O)=CC=C1O	5111.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #100	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]3O[Si](C)(C)C)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5075.8	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #101	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	4974.2	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #102	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	4964.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #103	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O[Si](C)(C)C)[C@H](O)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	5077.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #104	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O[Si](C)(C)C)[C@H](O)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	5076.5	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #105	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	5115.0	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #106	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5114.2	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #107	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5073.8	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #108	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]2O	5033.2	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #109	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]2O	5024.2	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O[Si](C)(C)C)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5179.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #110	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O[Si](C)(C)C	5113.2	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #111	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5066.5	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #112	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]2O	4981.5	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #113	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]2O	4971.6	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #114	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O[Si](C)(C)C	5063.0	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #115	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]2O	4937.5	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #116	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]2O	4921.6	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #117	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O[Si](C)(C)C	5028.5	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #118	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@H]2O	5030.3	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #119	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]2O[Si](C)(C)C	4956.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #12	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)C=C1O	5119.3	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #120	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]2O[Si](C)(C)C	4955.5	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #121	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5068.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #122	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]2O	4975.2	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #123	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]2O	4961.6	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #124	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O[Si](C)(C)C	5061.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #125	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]2O	4930.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #126	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]2O	4912.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #127	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O[Si](C)(C)C	5030.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #128	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@H]2O	5022.9	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #129	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]2O[Si](C)(C)C	4951.0	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #13	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)=CC=C1O	5119.9	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #130	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]2O[Si](C)(C)C	4946.9	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #131	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]2O	5071.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #132	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]2O	5057.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #133	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O[Si](C)(C)C	5146.3	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #134	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@H]2O	5108.5	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #135	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]2O[Si](C)(C)C	5061.0	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #136	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]2O[Si](C)(C)C	5058.9	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #137	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@H]2O	5067.5	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #138	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]2O[Si](C)(C)C	5027.2	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #139	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]2O[Si](C)(C)C	5025.0	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5041.3	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #140	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@H]2O[Si](C)(C)C	5111.2	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #141	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O)C=C1O	5145.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #142	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O)=CC=C1O	5128.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #143	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O[Si](C)(C)C)C=C3C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O[Si](C)(C)C)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5174.5	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #144	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)C=C1O	5136.5	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #145	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)=CC=C1O	5135.6	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #146	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O	5030.8	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #147	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O	5025.8	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #148	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C)C=C1O	5131.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #149	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O[Si](C)(C)C	5169.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5047.8	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #150	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)[C@H]4O)[C@@H]2O)C=C1O	5014.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #151	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O)=CC=C1O	5012.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #152	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C)=CC=C1O	5126.2	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #153	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)C=C1O	5128.9	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #154	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)=CC=C1O	5124.3	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #155	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)C=C1O[Si](C)(C)C	5169.3	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #156	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O)C=C1O	4993.5	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #157	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O)C=C1O	4987.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #158	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O	5096.0	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #159	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O)C=C1O[Si](C)(C)C	5128.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #16	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]2O	5046.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #160	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)[C@H]4O)[C@@H]2O)C=C1O	4972.0	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #161	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O)=CC=C1O	4965.5	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #162	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC=C1O	5090.2	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #163	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)C=C1O	5093.0	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #164	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)=CC=C1O	5089.3	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #165	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)C=C1O[Si](C)(C)C	5129.5	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #166	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O	5070.8	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #167	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C)C=C1O	4997.9	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #168	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H]4O)[C@@H]2O)C=C1O	5059.2	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #169	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C)C=C1O	4991.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]2O	5038.3	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #170	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H]4O)[C@@H]2O)=CC=C1O	5052.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #171	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5165.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #172	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)C=C1O	4989.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #173	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O)=CC=C1O	5054.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #174	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C)=CC=C1O	4980.3	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #175	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)C=C1O[Si](C)(C)C	5159.6	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #176	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O)C=C1O	5003.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #177	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)[C@H]4O)[C@@H]2O)C=C1O	4985.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #178	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)C=C1O	5081.5	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #179	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)C=C1O[Si](C)(C)C	5132.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O[Si](C)(C)C	5150.8	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #180	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O)C=C1O	4998.6	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #181	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O)=CC=C1O	4977.2	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #182	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)=CC=C1O	5077.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #183	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O	5085.0	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #184	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O)C=C1O[Si](C)(C)C	5132.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #185	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC=C1O	5077.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #186	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O)C=C1O	5010.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #187	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O	4944.9	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #188	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H]4O)[C@@H]2O)C=C1O	5001.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #189	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)C=C1O	4937.6	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #19	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O)C=C1O	4950.6	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #190	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O)=CC=C1O	4994.5	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #191	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)C=C1O[Si](C)(C)C	5099.6	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #192	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O	4938.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #193	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H]4O)[C@@H]2O)=CC=C1O	4994.2	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #194	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC=C1O	4929.0	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #195	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5101.3	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #196	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O	5049.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #197	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C)C=C1O	4977.3	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #198	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H]4O)[C@@H]2O)C=C1O	5040.9	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #199	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)C=C1O	4969.9	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O[Si](C)(C)C)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5160.8	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #20	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)C=C1O	4941.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #200	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O)=CC=C1O	5035.5	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #201	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)C=C1O[Si](C)(C)C	5133.3	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #202	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C)C=C1O	4968.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #203	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H]4O)[C@@H]2O)=CC=C1O	5033.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #204	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C)=CC=C1O	4959.8	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #205	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5138.2	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #206	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C)C=C1O	5026.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #207	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)C=C1O	5026.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #208	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C)=CC=C1O	5019.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #209	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O)=CC=C1O	5018.6	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #21	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O	5077.3	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #210	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O[Si](C)(C)C	5081.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #22	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5119.3	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #23	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O)C=C1O	4950.6	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #24	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O)=CC=C1O	4935.3	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #25	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC=C1O	5073.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #26	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O[Si](C)(C)C)C=C1O	5078.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #27	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O)C=C1O[Si](C)(C)C	5115.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #28	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O[Si](C)(C)C)=CC=C1O	5070.5	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #29	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5126.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #3	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)C=C1O	5082.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #30	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O[Si](C)(C)C)[C@@H]2O)C=C1O	5082.0	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #31	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O[Si](C)(C)C)[C@@H]2O)=CC=C1O	5069.3	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #32	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5144.9	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #33	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)C=C1O	5074.2	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #34	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)=CC=C1O	5082.0	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #35	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	4999.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #36	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5010.0	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #37	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]2O	5005.8	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #38	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]2O	4995.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #39	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O[Si](C)(C)C	5113.6	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #4	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)=CC=C1O	5090.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #40	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O[Si](C)(C)C)[C@@H]2O)C=C1O	4908.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #41	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)C=C1O	4900.8	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #42	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O	5043.5	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #43	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5076.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #44	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O[Si](C)(C)C)=C3O[Si](C)(C)C)[C@@H]2O)C=C1O	4915.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #45	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O[Si](C)(C)C)=C3O[Si](C)(C)C)[C@@H]2O)=CC=C1O	4900.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #46	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC=C1O	5046.0	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #47	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O	5046.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #48	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC=C1O	5039.3	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #49	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O[Si](C)(C)C)[C@@H]2O)C=C1O[Si](C)(C)C	5070.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #5	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O[Si](C)(C)C)[C@@H]2O)C=C1O	5091.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #50	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]3O)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5049.3	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #51	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O)C=C1O	4973.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #52	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O)C=C1O	4973.5	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #53	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O[Si](C)(C)C)C=C1O	5102.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #54	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O)C=C1O[Si](C)(C)C	5135.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #55	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]2O	4921.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #56	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]2O	4922.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #57	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@H]2O	5070.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #58	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]2O[Si](C)(C)C	5025.5	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #59	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O)C=C1O	4985.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #6	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O[Si](C)(C)C)[C@@H]2O)=CC=C1O	5076.8	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #60	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O[Si](C)(C)C)C=C1O	4898.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #61	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)C=C1O	4973.5	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #62	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O[Si](C)(C)C)C=C1O	4901.0	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #63	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)=CC=C1O	4975.9	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #64	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5102.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #65	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]3O)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5045.2	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #66	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)C=C1O	4960.8	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #67	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O)=CC=C1O	4959.0	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #68	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O[Si](C)(C)C)=CC=C1O	5095.9	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #69	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]2O	4912.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #7	C[Si](C)(C)OC1=CC2=C(CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O[Si](C)(C)C	5148.6	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #70	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]2O	4910.3	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #71	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]2O[Si](C)(C)C	5020.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #72	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O	4897.0	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #73	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O)=CC=C1O	4974.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #74	C[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O[Si](C)(C)C)=CC=C1O	4894.2	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #75	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5153.6	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #76	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O	5100.2	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #77	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC=C1O	5098.3	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #78	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O[Si](C)(C)C	5023.2	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #79	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O[Si](C)(C)C	5023.6	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #8	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O[Si](C)(C)C)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5171.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #80	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5100.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #81	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	5044.8	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #82	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	5050.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #83	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5138.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #84	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5074.6	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #85	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O[Si](C)(C)C)C=C3C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5177.9	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #86	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O[Si](C)(C)C)C=C3C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5091.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #87	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O[Si](C)(C)C)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5084.3	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #88	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O[Si](C)(C)C)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O[Si](C)(C)C)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5173.8	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #89	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O[Si](C)(C)C)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	5090.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #9	C[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C)C([C@H]4C5=C(O[Si](C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C)=C3O)[C@@H]2O)C=C1O	5124.9	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #90	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O[Si](C)(C)C)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	5093.1	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #91	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5048.0	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #92	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5034.6	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #93	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O[Si](C)(C)C)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5136.3	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #94	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	5042.7	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #95	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O[Si](C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	5046.4	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #96	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5109.8	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #97	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]3O[Si](C)(C)C)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5075.2	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #98	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	4982.5	Semi standard non polar	33892256
Procyanidin B6,4TMS,isomer #99	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	4975.7	Semi standard non polar	33892256
Procyanidin B6,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](C2=C(O)C=C3C(=C2O)CO[C@H](C2=CC=C(O)C(O)=C2)[C@H]3O)C2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1	5778.7	Semi standard non polar	33892256
Procyanidin B6,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)C=C1O	5862.5	Semi standard non polar	33892256
Procyanidin B6,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5826.6	Semi standard non polar	33892256
Procyanidin B6,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5825.1	Semi standard non polar	33892256
Procyanidin B6,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=C2CO[C@H](C3=CC=C(O)C(O)=C3)[C@@H](O)C2=CC(O)=C1[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O	5796.0	Semi standard non polar	33892256
Procyanidin B6,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC2=C(CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]2O)C(O)=C1[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O	5806.1	Semi standard non polar	33892256
Procyanidin B6,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1C2=CC(O)=C([C@H]3C4=C(O)C=C(O)C=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H]3O)C(O)=C2CO[C@@H]1C1=CC=C(O)C(O)=C1	5784.2	Semi standard non polar	33892256
Procyanidin B6,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O	5861.1	Semi standard non polar	33892256
Procyanidin B6,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)=CC=C1O	5843.2	Semi standard non polar	33892256
Procyanidin B6,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)=CC=C1O	5851.1	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC2=C(CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]2O)C(O)=C1[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O[Si](C)(C)C(C)(C)C	5892.5	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5892.1	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5894.8	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5880.7	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O[Si](C)(C)C(C)(C)C)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5908.8	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O[Si](C)(C)C(C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5873.8	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)[C@H]2O	5894.3	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)[C@H]2O	5871.7	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O[Si](C)(C)C(C)(C)C	5872.6	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5940.7	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3C(=C1O[Si](C)(C)C(C)(C)C)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5903.5	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=C2CO[C@H](C3=CC=C(O)C(O)=C3)[C@@H](O)C2=CC(O)=C1[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O[Si](C)(C)C(C)(C)C	5855.7	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O	5916.6	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)=CC=C1O	5892.8	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5886.3	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)C=C1O	5913.5	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)=CC=C1O	5897.8	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC2=C(CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O	5925.5	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C(C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)C=C1O	5884.0	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O[Si](C)(C)C(C)(C)C)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)=CC=C1O	5868.0	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=C2CO[C@H](C3=CC=C(O)C(O)=C3)[C@@H](O[Si](C)(C)C(C)(C)C)C2=CC(O)=C1[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O	5868.3	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C(C)(C)C)[C@@H]2O)C=C1O	5889.4	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C(C)(C)C)=C3O)[C@@H]2O)C=C1O	5859.0	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O[Si](C)(C)C(C)(C)C)[C@@H]2O)=CC=C1O	5864.7	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C(C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)C=C1O	5910.3	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C(C)(C)C)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)=CC=C1O	5896.2	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O[Si](C)(C)C(C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O	5912.3	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O[Si](C)(C)C(C)(C)C)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)=CC=C1O	5892.0	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC2=C(CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H]1O	5871.7	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C(C)(C)C)[C@@H]2O)C=C1O	5879.8	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O[Si](C)(C)C(C)(C)C)[C@@H]2O)=CC=C1O	5863.1	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O	5883.0	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O	5860.1	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O[Si](C)(C)C(C)(C)C)=C3O)[C@@H]2O)=CC=C1O	5839.2	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O	5916.6	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O	5897.4	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@H]4O)=C3O)[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C	5903.2	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)[C@H]4O)[C@@H]2O)C=C1O	5889.2	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OCC3=C(C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C5)[C@H]4O)=C3O)[C@@H]2O)=CC=C1O	5866.9	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C	5912.2	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1C2=CC(O)=C([C@H]3C4=C(O)C=C(O)C=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H]3O[Si](C)(C)C(C)(C)C)C(O)=C2CO[C@@H]1C1=CC=C(O)C(O)=C1	5834.2	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]3O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5910.2	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2C1=C(O)C=C2C(=C1O)CO[C@H](C1=CC=C(O)C(O)=C1)[C@H]2O	5869.8	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O	5865.9	Semi standard non polar	33892256
Procyanidin B6,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4C(=C3O)CO[C@H](C3=CC=C(O)C(O)=C3)[C@H]4O)[C@@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O	5849.8	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 - Procyanidin B6 GC-MS (Non-derivatized) - 70eV, Positive	splash10-03fs-0200950000-f7f8656081f7d8b8a051	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (1 TMS) - 70eV, Positive	splash10-007a-5200649000-5be647f305997cfcd21b	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS ("Procyanidin B6,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B6 GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	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 - Procyanidin B6 10V, Positive-QTOF	splash10-004i-0510490000-618a58e1555c994ba2c4	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Procyanidin B6 20V, Positive-QTOF	splash10-052r-0523920000-7550fbfdfea13949250f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Procyanidin B6 40V, Positive-QTOF	splash10-007c-0951310000-c8c812f6dbbb794b64ec	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Procyanidin B6 10V, Negative-QTOF	splash10-004i-0210190000-a01aeb153cf7b1c3fce7	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Procyanidin B6 20V, Negative-QTOF	splash10-052r-0790660000-71360d7a941dba5bbd2a	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Procyanidin B6 40V, Negative-QTOF	splash10-004i-0920000000-37a980a0c4be22b9ec62	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Procyanidin B6 10V, Positive-QTOF	splash10-004i-0000390000-845028234836dfb116ae	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Procyanidin B6 20V, Positive-QTOF	splash10-00bc-0491450000-7a1130f3f39c5b06efde	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Procyanidin B6 40V, Positive-QTOF	splash10-00fr-0931220000-0996e189a568395bcd2e	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Procyanidin B6 10V, Negative-QTOF	splash10-004i-0000090000-468001dfada0dfe48eda	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Procyanidin B6 20V, Negative-QTOF	splash10-056s-0420980000-bfc6202feec528ed8f9d	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Procyanidin B6 40V, Negative-QTOF	splash10-01bi-0952870000-e343d1cfd06a0b274a48	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB017707

KNApSAcK ID

C00009070

Chemspider ID

30777245

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Procyanidin B6

METLIN ID

Not Available

PubChem Compound

131752344

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 Procyanidin B6 (HMDB0038367)

MOL for HMDB0038367 (Procyanidin B6)

3D MOL for HMDB0038367 (Procyanidin B6)

3D SDF for HMDB0038367 (Procyanidin B6)

3D-SDF for HMDB0038367 (Procyanidin B6)

PDB for HMDB0038367 (Procyanidin B6)

3D PDB for HMDB0038367 (Procyanidin B6)

SMILES for HMDB0038367 (Procyanidin B6)

INCHI for HMDB0038367 (Procyanidin B6)

Structure for HMDB0038367 (Procyanidin B6)

3D Structure for HMDB0038367 (Procyanidin B6)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra