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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:40:10 UTC

Update Date

2022-03-07 02:55:44 UTC

HMDB ID

HMDB0038366

Secondary Accession Numbers

HMDB38366

Metabolite Identification

Common Name

Procyanidin B5

Description

Procyanidin B5 belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. Procyanidin B5 is found, on average, in the highest concentration within a few different foods, such as european plums (Prunus domestica), apples (Malus pumila), and custard apples (Annona reticulata) and in a lower concentration in quinces (Cydonia oblonga), black tea, and sweet cherries (Prunus avium). Procyanidin B5 has also been detected, but not quantified in, several different foods, such as eggplants (Solanum melongena), apple cider, common buckwheats (Fagopyrum esculentum), lentils (Lens culinaris), and strawberries (Fragaria X ananassa). This could make procyanidin B5 a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Procyanidin B5.

Structure

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

  Mrv0541 02241219322D          

 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 O   0  0  0  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4472    2.4807    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  1  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
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   -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
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 21  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 20  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
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  8 14  1  6  0  0  0
  9 10  1  0  0  0  0
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 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 41  2  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 22 21  1  1  0  0  0
M  END

HMDB0038366
     RDKit          3D
Procyanidin B5
 68 73  0  0  0  0  0  0  0  0999 V2000
   -4.1273    5.7756    0.3620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5489    4.5114    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2907    4.2713    0.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7256    2.9746    0.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4695    2.8615    1.0812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4723    1.9715    0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7556    2.2849   -0.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3134    3.5252   -0.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5054    1.2843   -0.9845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1117   -0.0307   -1.2288 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9253   -1.0214   -0.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2068   -0.7981    0.8488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9669   -1.7015    1.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4480   -2.8365    0.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2113   -3.7191    1.7802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1809   -3.0749   -0.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6828   -4.2310   -0.8925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4227   -2.1693   -1.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6514   -0.2599   -1.1131 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4180   -1.5785   -0.7141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9422    0.6242   -0.1178 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4966    0.4767   -0.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1593    1.0800   -1.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5233    1.9202   -2.2867 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246    0.8482   -1.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2642    0.0273   -0.8236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5821   -0.5621    0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2467   -0.3672    0.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4051   -0.9568    1.5252 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3142   -1.4662    1.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7708   -0.9822    1.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8095    0.2770    1.8175 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3189   -1.0240   -0.1546 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7753   -0.7617   -0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4333   -0.6579   -1.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7889   -0.4098   -1.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5439   -0.2557   -0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9189   -0.0050   -0.3647 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8909   -0.3587    0.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6275   -0.2077    2.1088 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5152   -0.6102    0.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6218   -0.2006   -1.0428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6057    6.5170    0.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7151    5.0721    1.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2254    2.2365    1.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3178    3.6999   -0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3805   -0.2176   -2.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.5541   -4.5452    1.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2204   -2.3826   -2.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4892    2.1131   -2.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0214    1.3359   -2.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3479   -2.4867    0.7385 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9025   -1.4733    2.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3339   -1.7499    1.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9703    0.7710    1.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1360   -2.0893   -0.5005 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8406   -0.7791   -2.2822 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2863   -0.3318   -2.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4841    0.1100    0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1310   -0.2866    2.9854 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0275   -0.6836    1.9407 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
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  8  2  1  0
 18 11  1  0
 28 22  1  0
 41 34  1  0
 21  6  1  0
 42 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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 29 58  1  0
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 31 61  1  0
 32 62  1  0
 33 63  1  6
 35 64  1  0
 36 65  1  0
 38 66  1  0
 40 67  1  0
 41 68  1  0
M  END

  Mrv0541 02241219322D          

 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 O   0  0  0  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4472    2.4807    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
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   -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
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 21  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 20  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 14  1  6  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  6  0  0  0
 23 34  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 33  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  6  0  0  0
 35 36  2  0  0  0  0
 35 39  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 41  2  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 22 21  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0038366

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1CC2=C(O[C@H]1C1=CC=C(O)C(O)=C1)C=C(O)C([C@@H]1[C@@H](O)[C@H](OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C2O

> <INCHI_IDENTIFIER>
InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21?,26-,28-,29+,30-/m1/s1

> <INCHI_KEY>
GMISZFQPFDAPGI-WXXMRKNTSA-N

> <FORMULA>
C30H26O12

> <MOLECULAR_WEIGHT>
578.5202

> <EXACT_MASS>
578.142426296

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
57.18979630138711

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
2.31

> <JCHEM_LOGP>
3.1157450136666665

> <ALOGPS_LOGS>
-3.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.131417482712479

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.696085363131802

> <JCHEM_PKA_STRONGEST_BASIC>
-5.176745497915186

> <JCHEM_POLAR_SURFACE_AREA>
220.75999999999996

> <JCHEM_REFRACTIVITY>
146.50799999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.31e-01 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0038366
     RDKit          3D
Procyanidin B5
 68 73  0  0  0  0  0  0  0  0999 V2000
   -4.1273    5.7756    0.3620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5489    4.5114    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2907    4.2713    0.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7256    2.9746    0.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4695    2.8615    1.0812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4723    1.9715    0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7556    2.2849   -0.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3134    3.5252   -0.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5054    1.2843   -0.9845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1117   -0.0307   -1.2288 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9253   -1.0214   -0.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2068   -0.7981    0.8488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9669   -1.7015    1.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4480   -2.8365    0.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2113   -3.7191    1.7802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1809   -3.0749   -0.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6828   -4.2310   -0.8925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4227   -2.1693   -1.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6514   -0.2599   -1.1131 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4180   -1.5785   -0.7141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9422    0.6242   -0.1178 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4966    0.4767   -0.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1593    1.0800   -1.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5233    1.9202   -2.2867 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246    0.8482   -1.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2642    0.0273   -0.8236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5821   -0.5621    0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2467   -0.3672    0.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4051   -0.9568    1.5252 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3142   -1.4662    1.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7708   -0.9822    1.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8095    0.2770    1.8175 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3189   -1.0240   -0.1546 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7753   -0.7617   -0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4333   -0.6579   -1.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7889   -0.4098   -1.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5439   -0.2557   -0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9189   -0.0050   -0.3647 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8909   -0.3587    0.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6275   -0.2077    2.1088 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5152   -0.6102    0.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6218   -0.2006   -1.0428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6057    6.5170    0.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7151    5.0721    1.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2254    2.2365    1.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3178    3.6999   -0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3805   -0.2176   -2.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8569    0.0734    1.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1908   -1.5255    2.6443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5541   -4.5452    1.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5183   -4.4669   -1.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2204   -2.3826   -2.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1488   -0.1523   -2.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7764   -1.7811    0.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1447    0.1274    0.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4892    2.1131   -2.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0214    1.3359   -2.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0928   -1.5719    2.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3479   -2.4867    0.7385 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9025   -1.4733    2.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3339   -1.7499    1.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9703    0.7710    1.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1360   -2.0893   -0.5005 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8406   -0.7791   -2.2822 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2863   -0.3318   -2.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4841    0.1100    0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1310   -0.2866    2.9854 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0275   -0.6836    1.9407 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
 31 33  1  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  2  0
 33 42  1  0
  8  2  1  0
 18 11  1  0
 28 22  1  0
 41 34  1  0
 21  6  1  0
 42 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
 31 61  1  0
 32 62  1  0
 33 63  1  6
 35 64  1  0
 36 65  1  0
 38 66  1  0
 40 67  1  0
 41 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  O   UNK     0       3.798   0.630   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       4.568   1.963   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.798   3.297   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       4.568   4.631   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       9.188   4.631   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       8.418   3.297   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.878   3.297   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.108   1.963   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.878   0.630   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.418   0.630   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.188   1.963   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      10.728   1.963   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -0.822   3.297   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -0.052   1.963   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -0.822   0.630   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.362   0.630   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -3.132   1.963   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -2.362   3.297   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -1.116  -2.943   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -2.362  -2.038   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -3.132  -0.704   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.672  -0.704   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -5.442  -2.038   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -4.672  -3.371   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -3.132  -3.371   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -5.442  -4.705   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -5.442   0.630   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -4.672   1.963   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -5.442   3.297   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -4.672   4.631   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -5.442   5.964   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -4.672   7.298   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -6.982   3.297   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -7.752   4.631   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -6.982   5.964   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      -7.752   7.298   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   21                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    6   20                                                  
CONECT    6    5    9                                                       
CONECT    7    4    8                                                       
CONECT    8    7    9   14                                                  
CONECT    9    6    8   10                                                  
CONECT   10    9                                                            
CONECT   11   12                                                            
CONECT   12   11   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14    8   13   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   12   16   18                                                  
CONECT   18   17                                                            
CONECT   19   20                                                            
CONECT   20    5   19   21                                                  
CONECT   21    2   20   22                                                  
CONECT   22   23   27   21                                                  
CONECT   23   22   24   34                                                  
CONECT   24   23                                                            
CONECT   25   26                                                            
CONECT   26   25   27   31                                                  
CONECT   27   22   26   28                                                  
CONECT   28   27   29   33                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   26   30                                                       
CONECT   32   30                                                            
CONECT   33   28   34                                                       
CONECT   34   23   33   35                                                  
CONECT   35   34   36   39                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38   41                                                  
CONECT   38   37                                                            
CONECT   39   35   40                                                       
CONECT   40   39   41                                                       
CONECT   41   37   40   42                                                  
CONECT   42   41                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   94    0
END

COMPND    HMDB0038366
HETATM    1  O1  UNL     1      -4.127   5.776   0.362  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.549   4.511   0.262  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.291   4.271   0.711  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.726   2.975   0.597  1.00  0.00           C  
HETATM    5  O2  UNL     1      -0.470   2.862   1.081  1.00  0.00           O  
HETATM    6  C4  UNL     1      -2.472   1.972   0.026  1.00  0.00           C  
HETATM    7  C5  UNL     1      -3.756   2.285  -0.414  1.00  0.00           C  
HETATM    8  C6  UNL     1      -4.313   3.525  -0.312  1.00  0.00           C  
HETATM    9  O3  UNL     1      -4.505   1.284  -0.984  1.00  0.00           O  
HETATM   10  C7  UNL     1      -4.112  -0.031  -1.229  1.00  0.00           C  
HETATM   11  C8  UNL     1      -4.925  -1.021  -0.482  1.00  0.00           C  
HETATM   12  C9  UNL     1      -5.207  -0.798   0.849  1.00  0.00           C  
HETATM   13  C10 UNL     1      -5.967  -1.702   1.588  1.00  0.00           C  
HETATM   14  C11 UNL     1      -6.448  -2.836   0.991  1.00  0.00           C  
HETATM   15  O4  UNL     1      -7.211  -3.719   1.780  1.00  0.00           O  
HETATM   16  C12 UNL     1      -6.181  -3.075  -0.322  1.00  0.00           C  
HETATM   17  O5  UNL     1      -6.683  -4.231  -0.892  1.00  0.00           O  
HETATM   18  C13 UNL     1      -5.423  -2.169  -1.051  1.00  0.00           C  
HETATM   19  C14 UNL     1      -2.651  -0.260  -1.113  1.00  0.00           C  
HETATM   20  O6  UNL     1      -2.418  -1.578  -0.714  1.00  0.00           O  
HETATM   21  C15 UNL     1      -1.942   0.624  -0.118  1.00  0.00           C  
HETATM   22  C16 UNL     1      -0.497   0.477  -0.361  1.00  0.00           C  
HETATM   23  C17 UNL     1       0.159   1.080  -1.423  1.00  0.00           C  
HETATM   24  O7  UNL     1      -0.523   1.920  -2.287  1.00  0.00           O  
HETATM   25  C18 UNL     1       1.525   0.848  -1.640  1.00  0.00           C  
HETATM   26  C19 UNL     1       2.264   0.027  -0.824  1.00  0.00           C  
HETATM   27  C20 UNL     1       1.582  -0.562   0.231  1.00  0.00           C  
HETATM   28  C21 UNL     1       0.247  -0.367   0.484  1.00  0.00           C  
HETATM   29  O8  UNL     1      -0.405  -0.957   1.525  1.00  0.00           O  
HETATM   30  C22 UNL     1       2.314  -1.466   1.166  1.00  0.00           C  
HETATM   31  C23 UNL     1       3.771  -0.982   1.251  1.00  0.00           C  
HETATM   32  O9  UNL     1       3.809   0.277   1.817  1.00  0.00           O  
HETATM   33  C24 UNL     1       4.319  -1.024  -0.155  1.00  0.00           C  
HETATM   34  C25 UNL     1       5.775  -0.762  -0.158  1.00  0.00           C  
HETATM   35  C26 UNL     1       6.433  -0.658  -1.375  1.00  0.00           C  
HETATM   36  C27 UNL     1       7.789  -0.410  -1.411  1.00  0.00           C  
HETATM   37  C28 UNL     1       8.544  -0.256  -0.268  1.00  0.00           C  
HETATM   38  O10 UNL     1       9.919  -0.005  -0.365  1.00  0.00           O  
HETATM   39  C29 UNL     1       7.891  -0.359   0.943  1.00  0.00           C  
HETATM   40  O11 UNL     1       8.627  -0.208   2.109  1.00  0.00           O  
HETATM   41  C30 UNL     1       6.515  -0.610   0.989  1.00  0.00           C  
HETATM   42  O12 UNL     1       3.622  -0.201  -1.043  1.00  0.00           O  
HETATM   43  H1  UNL     1      -3.606   6.517   0.772  1.00  0.00           H  
HETATM   44  H2  UNL     1      -1.715   5.072   1.158  1.00  0.00           H  
HETATM   45  H3  UNL     1       0.225   2.237   1.205  1.00  0.00           H  
HETATM   46  H4  UNL     1      -5.318   3.700  -0.675  1.00  0.00           H  
HETATM   47  H5  UNL     1      -4.381  -0.218  -2.315  1.00  0.00           H  
HETATM   48  H6  UNL     1      -4.857   0.073   1.371  1.00  0.00           H  
HETATM   49  H7  UNL     1      -6.191  -1.525   2.644  1.00  0.00           H  
HETATM   50  H8  UNL     1      -7.554  -4.545   1.320  1.00  0.00           H  
HETATM   51  H9  UNL     1      -6.518  -4.467  -1.868  1.00  0.00           H  
HETATM   52  H10 UNL     1      -5.220  -2.383  -2.107  1.00  0.00           H  
HETATM   53  H11 UNL     1      -2.149  -0.152  -2.089  1.00  0.00           H  
HETATM   54  H12 UNL     1      -2.776  -1.781   0.167  1.00  0.00           H  
HETATM   55  H13 UNL     1      -2.145   0.127   0.894  1.00  0.00           H  
HETATM   56  H14 UNL     1      -1.489   2.113  -2.170  1.00  0.00           H  
HETATM   57  H15 UNL     1       2.021   1.336  -2.486  1.00  0.00           H  
HETATM   58  H16 UNL     1      -0.093  -1.572   2.225  1.00  0.00           H  
HETATM   59  H17 UNL     1       2.348  -2.487   0.738  1.00  0.00           H  
HETATM   60  H18 UNL     1       1.902  -1.473   2.185  1.00  0.00           H  
HETATM   61  H19 UNL     1       4.334  -1.750   1.847  1.00  0.00           H  
HETATM   62  H20 UNL     1       2.970   0.771   1.649  1.00  0.00           H  
HETATM   63  H21 UNL     1       4.136  -2.089  -0.500  1.00  0.00           H  
HETATM   64  H22 UNL     1       5.841  -0.779  -2.282  1.00  0.00           H  
HETATM   65  H23 UNL     1       8.286  -0.332  -2.370  1.00  0.00           H  
HETATM   66  H24 UNL     1      10.484   0.110   0.466  1.00  0.00           H  
HETATM   67  H25 UNL     1       8.131  -0.287   2.985  1.00  0.00           H  
HETATM   68  H26 UNL     1       6.027  -0.684   1.941  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   42
CONECT   27   28   28   30
CONECT   28   29
CONECT   29   58
CONECT   30   31   59   60
CONECT   31   32   33   61
CONECT   32   62
CONECT   33   34   42   63
CONECT   34   35   35   41
CONECT   35   36   64
CONECT   36   37   37   65
CONECT   37   38   39
CONECT   38   66
CONECT   39   40   41   41
CONECT   40   67
CONECT   41   68
END

HMDB0038366
     RDKit          3D
Procyanidin B5
 68 73  0  0  0  0  0  0  0  0999 V2000
   -4.1273    5.7756    0.3620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5489    4.5114    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2907    4.2713    0.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7256    2.9746    0.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4695    2.8615    1.0812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4723    1.9715    0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7556    2.2849   -0.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3134    3.5252   -0.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5054    1.2843   -0.9845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1117   -0.0307   -1.2288 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9253   -1.0214   -0.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2068   -0.7981    0.8488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9669   -1.7015    1.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4480   -2.8365    0.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2113   -3.7191    1.7802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1809   -3.0749   -0.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6828   -4.2310   -0.8925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4227   -2.1693   -1.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6514   -0.2599   -1.1131 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4180   -1.5785   -0.7141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9422    0.6242   -0.1178 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4966    0.4767   -0.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1593    1.0800   -1.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5233    1.9202   -2.2867 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246    0.8482   -1.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2642    0.0273   -0.8236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5821   -0.5621    0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2467   -0.3672    0.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4051   -0.9568    1.5252 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3142   -1.4662    1.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7708   -0.9822    1.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8095    0.2770    1.8175 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3189   -1.0240   -0.1546 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7753   -0.7617   -0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4333   -0.6579   -1.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7889   -0.4098   -1.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5439   -0.2557   -0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9189   -0.0050   -0.3647 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8909   -0.3587    0.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6275   -0.2077    2.1088 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5152   -0.6102    0.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6218   -0.2006   -1.0428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6057    6.5170    0.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7151    5.0721    1.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2254    2.2365    1.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3178    3.6999   -0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3805   -0.2176   -2.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8569    0.0734    1.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1908   -1.5255    2.6443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5541   -4.5452    1.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5183   -4.4669   -1.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2204   -2.3826   -2.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1488   -0.1523   -2.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7764   -1.7811    0.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1447    0.1274    0.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4892    2.1131   -2.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0214    1.3359   -2.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0928   -1.5719    2.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3479   -2.4867    0.7385 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9025   -1.4733    2.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3339   -1.7499    1.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9703    0.7710    1.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1360   -2.0893   -0.5005 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8406   -0.7791   -2.2822 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2863   -0.3318   -2.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4841    0.1100    0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1310   -0.2866    2.9854 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0275   -0.6836    1.9407 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
 31 33  1  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  2  0
 33 42  1  0
  8  2  1  0
 18 11  1  0
 28 22  1  0
 41 34  1  0
 21  6  1  0
 42 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
 31 61  1  0
 32 62  1  0
 33 63  1  6
 35 64  1  0
 36 65  1  0
 38 66  1  0
 40 67  1  0
 41 68  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
EC-(4b,6)-ec	HMDB
Epicatechin(4b->6)epicatechin	HMDB
Epicatechin-(4beta-6)-epicatechin	HMDB
Proanthocyanidin b5	HMDB
Procyanidin dimer b5	HMDB
Procyanidol b5	HMDB

Chemical Formula

C₃₀H₂₆O₁₂

Average Molecular Weight

578.5202

Monoisotopic Molecular Weight

578.142426296

IUPAC Name

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

Traditional Name

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

CAS Registry Number

12798-57-1

SMILES

OC1CC2=C(O[C@H]1C1=CC=C(O)C(O)=C1)C=C(O)C([C@@H]1[C@@H](O)[C@H](OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C2O

InChI Identifier

InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21?,26-,28-,29+,30-/m1/s1

InChI Key

GMISZFQPFDAPGI-WXXMRKNTSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Biflavonoids and polyflavonoids

Direct Parent

Biflavonoids and polyflavonoids

Alternative Parents

Substituents

B-type proanthocyanidin
Bi- and polyflavonoid skeleton
Proanthocyanidin
Catechin
Flavan-3-ol
Hydroxyflavonoid
3'-hydroxyflavonoid
7-hydroxyflavonoid
5-hydroxyflavonoid
4'-hydroxyflavonoid
3-hydroxyflavonoid
Flavan
Chromane
1-benzopyran
Benzopyran
Catechol
Phenol
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
Secondary alcohol
Polyol
Organoheterocyclic compound
Oxacycle
Ether
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Organooxygen 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: HMDB0038366)
Cytoplasm (HMDB: HMDB0038366)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0038366)

Source

Exogenous

Exogenous (HMDB: HMDB0038366)

Food

Food (HMDB: HMDB0038366)

Fruit

Pome

Apple (FooDB: FOOD00105)
Pear (FooDB: FOOD00152)
Quince (FooDB: FOOD00069)
Medlar (FooDB: FOOD00114)

Drupe

Tropical fruit

Berry

Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)
Redcurrant (FooDB: FOOD00156)
Lingonberry (FooDB: FOOD00194)
Strawberry (FooDB: FOOD00083)
Common grape (FooDB: FOOD00204)
Red raspberry (FooDB: FOOD00162)

Other fruit

Fig (FooDB: FOOD00081)

Vegetable

Fruit vegetable

Eggplant (FooDB: FOOD00174)
Avocado (FooDB: FOOD00130)
Pepper (FooDB: FOOD00040)
Green bell pepper (FooDB: FOOD00877)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Garden tomato (var.) (FooDB: FOOD00173)

Leaf vegetable

Lettuce (FooDB: FOOD00095)

Root vegetable

Carrot (FooDB: FOOD00245)

Pulse

Bean

Lentil

Lentils (FooDB: FOOD00098)

Pea

Chickpea (FooDB: FOOD00047)
Common pea (FooDB: FOOD00141)

Cereal and cereal product

Cereal

Common buckwheat (FooDB: FOOD00079)
Common wheat (FooDB: FOOD00187)

Nut

Chestnut (FooDB: FOOD00045)

Herb and spice

Spice

Herb

Sweet bay (FooDB: FOOD00097)

Gourd

Tea

Tea (FooDB: FOOD00038)
Black tea (FooDB: FOOD00907)
Green tea (FooDB: FOOD00908)

Beverage

Fermented beverage

Grape wine (FooDB: FOOD00612)
Apple cider (FooDB: FOOD00615)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Cocoa and cocoa products (FooDB: FOOD00860)

Not Available

Nutrient (HMDB: HMDB0038366)

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	0.13 g/L	ALOGPS
logP	2.31	ALOGPS
logP	3.12	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	8.7	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	146.51 m³·mol⁻¹	ChemAxon
Polarizability	57.19 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]+	229.558	31661259
DarkChem	[M-H]-	218.117	31661259
DeepCCS	[M-2H]-	256.348	30932474
DeepCCS	[M+Na]+	230.204	30932474
AllCCS	[M+H]+	237.0	32859911
AllCCS	[M+H-H2O]+	235.4	32859911
AllCCS	[M+NH4]+	238.4	32859911
AllCCS	[M+Na]+	238.9	32859911
AllCCS	[M-H]-	229.8	32859911
AllCCS	[M+Na-2H]-	231.6	32859911
AllCCS	[M+HCOO]-	233.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Procyanidin B5	OC1CC2=C(O[C@H]1C1=CC=C(O)C(O)=C1)C=C(O)C([C@@H]1[C@@H](O)[C@H](OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C2O	7525.6	Standard polar	33892256
Procyanidin B5	OC1CC2=C(O[C@H]1C1=CC=C(O)C(O)=C1)C=C(O)C([C@@H]1[C@@H](O)[C@H](OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C2O	5283.6	Standard non polar	33892256
Procyanidin B5	OC1CC2=C(O[C@H]1C1=CC=C(O)C(O)=C1)C=C(O)C([C@@H]1[C@@H](O)[C@H](OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C2O	5871.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Procyanidin B5,1TMS,isomer #1	C[Si](C)(C)OC1CC2=C(C=C(O)C([C@H]3C4=C(O)C=C(O)C=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@@H]3O)=C2O)O[C@H]1C1=CC=C(O)C(O)=C1	5678.9	Semi standard non polar	33892256
Procyanidin B5,1TMS,isomer #10	C[Si](C)(C)OC1=C2CC(O)[C@H](C3=CC=C(O)C(O)=C3)OC2=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	5548.3	Semi standard non polar	33892256
Procyanidin B5,1TMS,isomer #2	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@@H]4O)C(O)=C3CC2O)C=C1O	5713.9	Semi standard non polar	33892256
Procyanidin B5,1TMS,isomer #3	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@@H]4O)C(O)=C3CC2O)=CC=C1O	5688.1	Semi standard non polar	33892256
Procyanidin B5,1TMS,isomer #4	C[Si](C)(C)OC1=CC2=C(CC(O)[C@H](C3=CC=C(O)C(O)=C3)O2)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	5621.4	Semi standard non polar	33892256
Procyanidin B5,1TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](C2=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C2O)C2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1	5647.3	Semi standard non polar	33892256
Procyanidin B5,1TMS,isomer #6	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O	5720.7	Semi standard non polar	33892256
Procyanidin B5,1TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5656.1	Semi standard non polar	33892256
Procyanidin B5,1TMS,isomer #8	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O)=CC=C1O	5705.0	Semi standard non polar	33892256
Procyanidin B5,1TMS,isomer #9	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O)C=C1O	5717.9	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(CC(O[Si](C)(C)C)[C@H](C3=CC=C(O)C(O)=C3)O2)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	5483.5	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #10	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5504.2	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #11	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5539.1	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #12	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)CC2=C1O	5516.6	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #13	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5522.1	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #14	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5506.6	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #15	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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(O)=C3CC2O)C=C1O	5481.0	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #16	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@@H]4O)C(O[Si](C)(C)C)=C3CC2O)C=C1O	5436.7	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #17	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@@H]4O)C(O)=C3CC2O)C=C1O[Si](C)(C)C	5508.6	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #18	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O)=CC=C1O	5468.8	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #19	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O)=CC=C1O	5499.1	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O[Si](C)(C)C)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5519.0	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #20	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=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)CC2=C1O	5483.3	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #21	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)CC4=C3O)[C@H]2O)C=C1O	5483.4	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #22	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O)=CC=C1O	5468.7	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #23	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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(O)=C3CC2O)=CC=C1O	5452.6	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #24	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@@H]4O)C(O[Si](C)(C)C)=C3CC2O)=CC=C1O	5401.2	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #25	C[Si](C)(C)OC1=CC2=C(CC(O)[C@H](C3=CC=C(O)C(O)=C3)O2)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	5445.4	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #26	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O[Si](C)(C)C)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5498.9	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #27	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O	5492.5	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #28	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O)C=C1O	5488.8	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #29	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O)=CC=C1O	5478.6	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #3	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)CC2=C1O	5527.1	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #30	C[Si](C)(C)OC1=CC2=C(CC(O)[C@H](C3=CC=C(O)C(O)=C3)O2)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	5462.1	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #31	C[Si](C)(C)OC1=C2CC(O)[C@H](C3=CC=C(O)C(O)=C3)OC2=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	5423.6	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #32	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O)[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5503.4	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #33	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O	5495.4	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #34	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O[Si](C)(C)C)C=C1O	5473.4	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #35	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O[Si](C)(C)C)=CC=C1O	5464.8	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #36	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5497.7	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #37	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O	5504.0	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #38	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O	5496.0	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #39	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O[Si](C)(C)C	5441.8	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #4	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O)C=C1O	5516.2	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #40	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O[Si](C)(C)C)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5449.7	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #41	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O)C=C1O	5522.2	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #42	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O)=CC=C1O	5505.5	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #43	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O)=CC=C1O	5415.5	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #44	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O)C=C1O[Si](C)(C)C	5498.7	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #45	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O)C=C1O	5423.9	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #5	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O)=CC=C1O	5505.5	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #6	C[Si](C)(C)OC1CC2=C(C=C(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)=C2O)O[C@H]1C1=CC=C(O)C(O)=C1	5491.5	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #7	C[Si](C)(C)OC1=C2CC(O[Si](C)(C)C)[C@H](C3=CC=C(O)C(O)=C3)OC2=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	5441.6	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #8	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@@H]4O)C(O)=C3CC2O[Si](C)(C)C)C=C1O	5531.7	Semi standard non polar	33892256
Procyanidin B5,2TMS,isomer #9	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@@H]4O)C(O)=C3CC2O[Si](C)(C)C)=CC=C1O	5503.7	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(CC(O[Si](C)(C)C)[C@H](C3=CC=C(O)C(O)=C3)O2)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	5321.0	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O[Si](C)(C)C)CC3=C1O[Si](C)(C)C)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5318.2	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #100	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O[Si](C)(C)C)=CC=C1O	5279.4	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #101	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5317.2	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #102	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O[Si](C)(C)C	5278.8	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #103	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O	5239.1	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #104	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC=C1O	5239.9	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #105	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O)[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5334.2	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #106	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O[Si](C)(C)C)C=C1O	5310.2	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #107	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O[Si](C)(C)C)=CC=C1O	5300.0	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #108	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O	5245.2	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #109	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O	5243.8	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #11	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)C=C1O	5335.3	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #110	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5310.3	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #111	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O[Si](C)(C)C)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5312.7	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #112	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	5292.7	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #113	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	5293.9	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #114	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O	5321.5	Semi standard non polar	33892256
Procyanidin B5,3TMS,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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O[Si](C)(C)C	5237.0	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #116	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O[Si](C)(C)C	5243.1	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #117	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O)C=C1O	5287.6	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #118	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O)=CC=C1O	5285.8	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #119	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O)C=C1O[Si](C)(C)C	5360.4	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #12	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)=CC=C1O	5313.4	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #120	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C	5291.7	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O[Si](C)(C)C)CC3=C1O)[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5350.6	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #14	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O)C=C1O	5319.9	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #15	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O)=CC=C1O	5311.0	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #16	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)CC2=C1O	5285.0	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #17	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)CC2=C1O	5283.8	Semi standard non polar	33892256
Procyanidin B5,3TMS,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)C=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)CC2=C1O	5322.2	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #19	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)CC2=C1O[Si](C)(C)C	5295.6	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O[Si](C)(C)C)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O[Si](C)(C)C)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5345.4	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #20	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)CC2=C1O	5293.1	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #21	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=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)CC2=C1O	5279.2	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #22	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O[Si](C)(C)C)[C@H]2O)C=C1O	5250.4	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #23	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)C=C1O	5258.7	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #24	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O)C=C1O	5245.1	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #25	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O[Si](C)(C)C)C=C1O	5278.8	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #26	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O)C=C1O[Si](C)(C)C	5332.5	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #27	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O[Si](C)(C)C)[C@H]2O)=CC=C1O	5246.8	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #28	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)C=C1O	5256.2	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #29	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)=CC=C1O	5243.6	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)CC2=C1O	5332.2	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #30	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O[Si](C)(C)C)=CC=C1O	5273.2	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #31	C[Si](C)(C)OC1=C2CC(O[Si](C)(C)C)[C@H](C3=CC=C(O)C(O)=C3)OC2=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	5300.0	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #32	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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(O)=C3CC2O[Si](C)(C)C)C=C1O	5289.8	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #33	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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(O)=C3CC2O[Si](C)(C)C)=CC=C1O	5268.1	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #34	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@@H]4O)C(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)C=C1O	5268.0	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #35	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@@H]4O)C(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)=CC=C1O	5247.1	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #36	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@@H]4O)C(O)=C3CC2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5346.5	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #37	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5346.2	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #38	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)CC2=C1O	5282.2	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #39	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5249.6	Semi standard non polar	33892256
Procyanidin B5,3TMS,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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O)C=C1O	5301.3	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #40	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5246.4	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #41	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5300.4	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #42	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)C=C1O	5312.9	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #43	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O[Si](C)(C)C	5339.3	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #44	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)C(O)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5301.5	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #45	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5280.5	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #46	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5277.3	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #47	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5322.7	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #48	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)C=C1O	5302.9	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #49	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O[Si](C)(C)C	5366.4	Semi standard non polar	33892256
Procyanidin B5,3TMS,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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O)=CC=C1O	5291.4	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #50	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)CC2=C1O	5253.2	Semi standard non polar	33892256
Procyanidin B5,3TMS,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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)CC2=C1O	5254.0	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #52	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)CC2=C1O	5253.6	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #53	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)CC2=C1O[Si](C)(C)C	5244.4	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #54	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)CC2=C1O	5321.2	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #55	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5304.8	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #56	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5207.0	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #57	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)C=C1O	5211.2	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #58	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O)CC4=C3O)[C@H]2O)C=C1O	5294.4	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #59	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5207.1	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #6	C[Si](C)(C)OC1=CC2=C(CC(O[Si](C)(C)C)[C@H](C3=CC=C(O)C(O)=C3)O2)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	5321.0	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #60	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)C=C1O	5208.5	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #61	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O)CC4=C3O)[C@H]2O)=CC=C1O	5287.6	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #62	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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(O[Si](C)(C)C)=C3CC2O)C=C1O	5252.4	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #63	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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(O)=C3CC2O)C=C1O[Si](C)(C)C	5309.6	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #64	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@@H]4O)C(O[Si](C)(C)C)=C3CC2O)C=C1O[Si](C)(C)C	5289.0	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #65	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O)=CC=C1O	5317.6	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #66	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=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)CC2=C1O	5260.7	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #67	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=C4O[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)CC4=C3O)[C@H]2O)C=C1O	5222.6	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #68	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O)=CC=C1O	5222.1	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #69	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O)=CC=C1O	5267.6	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #7	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)C=C1O	5317.2	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #70	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)=CC=C1O	5282.6	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #71	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)C(O)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5282.8	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #72	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=C4O[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)CC4=C3O)[C@H]2O)C=C1O	5256.1	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #73	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O)=CC=C1O	5256.0	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #74	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O)=CC=C1O	5291.0	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #75	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)=CC=C1O	5277.1	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #76	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=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)CC2=C1O	5238.1	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #77	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=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)CC2=C1O	5238.2	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #78	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=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)CC2=C1O	5235.1	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #79	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=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)CC2=C1O[Si](C)(C)C	5226.8	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #8	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)=CC=C1O	5293.1	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #80	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O)C=C1O	5185.3	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #81	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)CC4=C3O)[C@H]2O[Si](C)(C)C)C=C1O	5183.2	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #82	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O)=CC=C1O	5278.7	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #83	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O)=CC=C1O	5180.8	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #84	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)=CC=C1O	5186.7	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #85	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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(O[Si](C)(C)C)=C3CC2O)=CC=C1O	5225.0	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #86	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O[Si](C)(C)C)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O[Si](C)(C)C)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5365.5	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #87	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O[Si](C)(C)C	5335.5	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #88	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O)C=C1O	5298.8	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #89	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O)=CC=C1O	5292.2	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #9	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O[Si](C)(C)C)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5341.6	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #90	C[Si](C)(C)OC1=CC2=C(CC(O)[C@H](C3=CC=C(O)C(O)=C3)O2)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	5317.8	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #91	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O[Si](C)(C)C)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5354.1	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #92	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O[Si](C)(C)C)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O)[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5356.0	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #93	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O)C=C1O	5329.6	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #94	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O)=CC=C1O	5323.2	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #95	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O	5274.4	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #96	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O	5274.5	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #97	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O	5322.6	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #98	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O[Si](C)(C)C)C=C1O	5290.2	Semi standard non polar	33892256
Procyanidin B5,3TMS,isomer #99	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O)C=C1O[Si](C)(C)C	5332.5	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #1	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O[Si](C)(C)C)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O[Si](C)(C)C)CC3=C1O[Si](C)(C)C)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5235.5	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #10	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)=CC=C1O	5196.1	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #100	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5027.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #101	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)C=C1O	5078.5	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #102	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4O[C@@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O)CC4=C3O)[C@H]2O)=CC=C1O	5105.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #103	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)C=C1O	5168.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #104	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O[Si](C)(C)C	5189.5	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #105	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)C=C1O[Si](C)(C)C	5212.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #106	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)C(O)CC3=C1O[Si](C)(C)C)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5131.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #107	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C(O)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5196.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #108	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)C(O)CC3=C1O)[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5139.1	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #109	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)C(O)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	5067.0	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O[Si](C)(C)C)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O[Si](C)(C)C)CC3=C1O)[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5238.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #110	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)C(O)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	5064.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #111	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5161.5	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #112	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5068.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #113	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)C=C1O	5070.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #114	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=C4O[C@@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O)CC4=C3O)[C@H]2O)C=C1O	5143.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #115	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5072.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #116	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)C=C1O	5066.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #117	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O)CC4=C3O)[C@H]2O)=CC=C1O	5139.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #118	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)C=C1O	5173.0	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #119	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O[Si](C)(C)C	5227.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O)C=C1O	5194.2	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #120	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)C=C1O[Si](C)(C)C	5213.5	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #121	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)CC2=C1O	5122.5	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #122	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)CC2=C1O	5006.2	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #123	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)CC2=C1O[Si](C)(C)C	5016.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #124	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)CC2=C1O	5114.0	Semi standard non polar	33892256
Procyanidin B5,4TMS,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[Si](C)(C)C)[C@H]2C1=C(O)C=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)CC2=C1O	5008.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)CC2=C1O[Si](C)(C)C	5013.2	Semi standard non polar	33892256
Procyanidin B5,4TMS,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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)CC2=C1O	5108.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #128	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)CC2=C1O[Si](C)(C)C	5090.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #129	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)CC2=C1O	5157.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O)=CC=C1O	5191.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #130	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)CC2=C1O[Si](C)(C)C	5142.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #131	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5088.0	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #132	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)C=C1O	5095.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #133	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O[Si](C)(C)C	5175.5	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #134	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)C=C1O	5000.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #135	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O)CC4=C3O)[C@H]2O[Si](C)(C)C)C=C1O	5068.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #136	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O)C=C1O	5079.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #137	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)C=C1O	5000.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #138	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O)CC4=C3O)[C@H]2O[Si](C)(C)C)=CC=C1O	5070.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #139	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O)=CC=C1O	5073.2	Semi standard non polar	33892256
Procyanidin B5,4TMS,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)[C@H]2C1=C(O[Si](C)(C)C)C=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)CC2=C1O	5125.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #140	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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(O[Si](C)(C)C)=C3CC2O)C=C1O[Si](C)(C)C	5153.4	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #141	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O[Si](C)(C)C)C=C3O[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)C(O)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5150.2	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #142	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=C4O[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)CC4=C3O)[C@H]2O)C=C1O	5082.1	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #143	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O)=CC=C1O	5083.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #144	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O)=CC=C1O	5186.2	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #145	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)=CC=C1O	5208.5	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #146	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=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)CC2=C1O	5039.4	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #147	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=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)CC2=C1O	5033.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #148	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=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)CC2=C1O	5103.4	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #149	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=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)CC2=C1O[Si](C)(C)C	5132.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,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)[C@H]2C1=C(O[Si](C)(C)C)C=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)CC2=C1O	5126.1	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #150	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=C4O[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O)C=C1O	5055.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #151	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=C4O[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)CC4=C3O)[C@H]2O[Si](C)(C)C)C=C1O	5006.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #152	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O)=CC=C1O	5104.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #153	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O)=CC=C1O	5008.0	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #154	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)=CC=C1O	5055.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #155	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)=CC=C1O	5145.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #156	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)C(O)CC3=C1O[Si](C)(C)C)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5117.2	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #157	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)C(O)CC3=C1O)[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5130.4	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #158	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)C(O)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	5057.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #159	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)C(O)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	5054.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)CC2=C1O	5207.1	Semi standard non polar	33892256
Procyanidin B5,4TMS,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=C4O[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O)C=C1O	5047.0	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #161	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=C4O[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)CC4=C3O)[C@H]2O[Si](C)(C)C)C=C1O	5052.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #162	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O)=CC=C1O	5142.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #163	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O)=CC=C1O	5056.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #164	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)=CC=C1O	5046.2	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #165	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)=CC=C1O	5151.2	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #166	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=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)CC2=C1O	5108.1	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #167	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=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)CC2=C1O	4993.4	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #168	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=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)CC2=C1O[Si](C)(C)C	5001.1	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #169	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=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)CC2=C1O	4995.4	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)CC2=C1O	5131.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #170	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=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)CC2=C1O[Si](C)(C)C	4996.2	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #171	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=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)CC2=C1O[Si](C)(C)C	5071.2	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #172	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O	4975.1	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #173	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)=CC=C1O	5073.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #174	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O)=CC=C1O	5070.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #175	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)=CC=C1O	4976.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #176	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O[Si](C)(C)C)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O[Si](C)(C)C)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5252.1	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #177	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O[Si](C)(C)C)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5247.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #178	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O)C=C1O	5212.5	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #179	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O)=CC=C1O	5216.1	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)CC2=C1O	5121.4	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #180	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O[Si](C)(C)C	5142.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #181	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O[Si](C)(C)C	5148.0	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #182	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O[Si](C)(C)C	5221.0	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #183	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O	5153.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #184	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C	5212.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #185	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O[Si](C)(C)C)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC=C1O	5159.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #186	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O[Si](C)(C)C)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O)[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5235.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #187	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O[Si](C)(C)C)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	5156.4	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #188	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O[Si](C)(C)C)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	5161.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #189	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O[Si](C)(C)C)C=C1O	5187.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #19	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)C=C1O	5049.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #190	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O[Si](C)(C)C)=CC=C1O	5194.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #191	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O)C=C1O[Si](C)(C)C	5241.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #192	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O	5180.4	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #193	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O	5108.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #194	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O	5115.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #195	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5190.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #196	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5208.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #197	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O	5156.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #198	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC=C1O	5162.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #199	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O[Si](C)(C)C	5079.2	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)CC2=C1O[Si](C)(C)C	5215.4	Semi standard non polar	33892256
Procyanidin B5,4TMS,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=C4O[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O)C=C1O	5031.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #200	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O[Si](C)(C)C	5085.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #201	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5156.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #202	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O)[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	5130.4	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #203	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O)[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	5138.5	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #204	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5228.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #205	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O	5163.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #206	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O[Si](C)(C)C)[C@@H](O)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	5124.4	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #207	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O[Si](C)(C)C)[C@@H](O)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	5130.4	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #208	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	5199.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #209	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O[Si](C)(C)C	5152.1	Semi standard non polar	33892256
Procyanidin B5,4TMS,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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O[Si](C)(C)C)C=C1O	5139.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #210	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C	5213.0	Semi standard non polar	33892256
Procyanidin B5,4TMS,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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O)C=C1O[Si](C)(C)C	5198.4	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #23	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)C=C1O	5043.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #24	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)=CC=C1O	5026.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O[Si](C)(C)C)=CC=C1O	5143.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #26	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)C=C1O	5149.4	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #27	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)=CC=C1O	5139.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #28	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5208.1	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #29	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O[Si](C)(C)C)CC3=C1O[Si](C)(C)C)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5204.2	Semi standard non polar	33892256
Procyanidin B5,4TMS,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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O[Si](C)(C)C)[C@H]2O)C=C1O	5159.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #30	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)C(O[Si](C)(C)C)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5153.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #31	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O[Si](C)(C)C)=C4)C(O[Si](C)(C)C)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5148.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #32	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O[Si](C)(C)C)CC3=C1O)[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5223.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #33	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O[Si](C)(C)C)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	5148.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #34	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O[Si](C)(C)C)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	5150.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #35	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)C=C1O	5178.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #36	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)=CC=C1O	5168.2	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #37	C[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O[Si](C)(C)C)CC3=C1O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5210.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #38	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O[Si](C)(C)C)[C@H]2O)C=C1O	5164.1	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #39	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O[Si](C)(C)C)[C@H]2O)=CC=C1O	5164.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O[Si](C)(C)C)[C@H]2O)=CC=C1O	5161.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #40	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)C=C1O	5082.0	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #41	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)C=C1O	5079.0	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #42	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)C=C1O	5180.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #43	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5239.5	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #44	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=C4O[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O)C=C1O	5066.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #45	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)=CC=C1O	5068.0	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #46	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)=CC=C1O	5175.0	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #47	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O[Si](C)(C)C)C=C1O	5170.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #48	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O[Si](C)(C)C)=CC=C1O	5175.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #49	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O)C=C1O[Si](C)(C)C	5231.0	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #5	C[Si](C)(C)OC1=CC2=C(CC(O[Si](C)(C)C)[C@H](C3=CC=C(O)C(O)=C3)O2)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	5209.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #50	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)CC2=C1O	5188.2	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #51	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)CC2=C1O	5102.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #52	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)CC2=C1O[Si](C)(C)C	5097.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #53	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)CC2=C1O	5041.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #54	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=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)CC2=C1O	5038.2	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #55	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)CC2=C1O	5107.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,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)[C@H]2C1=C(O)C=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)CC2=C1O[Si](C)(C)C	5100.2	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #57	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)CC2=C1O	5038.0	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #58	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=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)CC2=C1O	5032.2	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #59	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)CC2=C1O[Si](C)(C)C	5180.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #6	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)C=C1O	5174.0	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #60	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)CC2=C1O	5109.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #61	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=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)CC2=C1O	5104.1	Semi standard non polar	33892256
Procyanidin B5,4TMS,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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)CC2=C1O[Si](C)(C)C	5105.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,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=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)CC2=C1O[Si](C)(C)C	5094.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)CC2=C1O	5188.1	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #65	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)C=C1O	5018.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #66	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O[Si](C)(C)C)CC4=C3O[Si](C)(C)C)[C@H]2O)C=C1O	5000.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #67	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O	5110.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #68	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C	5164.0	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #69	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)C=C1O	5123.1	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #7	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)=CC=C1O	5158.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #70	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)C=C1O	4994.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #71	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O)C=C1O	5115.1	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #72	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O[Si](C)(C)C)C=C1O	4982.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #73	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)=CC=C1O	5109.2	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #74	C[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5179.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #75	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)C=C1O	5015.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #76	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)=CC=C1O	4999.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #77	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC=C1O	5120.5	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #78	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)C=C1O	5000.4	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #79	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O[Si](C)(C)C)CC4=C3O)[C@H]2O)=CC=C1O	5108.9	Semi standard non polar	33892256
Procyanidin B5,4TMS,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=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O[Si](C)(C)C)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5237.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #80	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)=CC=C1O	4987.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #81	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)C=C1O	5125.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #82	C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)=CC=C1O	5113.6	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #83	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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(O)=C3CC2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5180.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #84	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@@H]4O)C(O[Si](C)(C)C)=C3CC2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5173.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,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=C3O[C@@H](C4=CC=C(O[Si](C)(C)C)C(O)=C4)C(O)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5162.2	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #86	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5105.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #87	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5102.0	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #88	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5203.0	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #89	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)C=C1O	5228.3	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #9	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O[Si](C)(C)C)C=C1O	5206.1	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #90	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O[Si](C)(C)C	5245.0	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #91	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)CC2=C1O	5053.4	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #92	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)CC2=C1O	5049.4	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #93	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)CC2=C1O	5116.5	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #94	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)CC2=C1O[Si](C)(C)C	5149.2	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #95	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)CC2=C1O	5173.8	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #96	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5126.0	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #97	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5028.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #98	C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O[Si](C)(C)C)=C3CC2O)C=C1O	5080.7	Semi standard non polar	33892256
Procyanidin B5,4TMS,isomer #99	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=C4O[C@@H](C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O)CC4=C3O)[C@H]2O)C=C1O	5111.6	Semi standard non polar	33892256
Procyanidin B5,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1CC2=C(C=C(O)C([C@H]3C4=C(O)C=C(O)C=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@@H]3O)=C2O)O[C@H]1C1=CC=C(O)C(O)=C1	5909.2	Semi standard non polar	33892256
Procyanidin B5,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=C2CC(O)[C@H](C3=CC=C(O)C(O)=C3)OC2=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	5838.4	Semi standard non polar	33892256
Procyanidin B5,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@@H]4O)C(O)=C3CC2O)C=C1O	5931.6	Semi standard non polar	33892256
Procyanidin B5,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@@H]4O)C(O)=C3CC2O)=CC=C1O	5912.4	Semi standard non polar	33892256
Procyanidin B5,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC2=C(CC(O)[C@H](C3=CC=C(O)C(O)=C3)O2)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	5847.0	Semi standard non polar	33892256
Procyanidin B5,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C2=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C2O)C2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1	5839.1	Semi standard non polar	33892256
Procyanidin B5,1TBDMS,isomer #6	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O	5889.5	Semi standard non polar	33892256
Procyanidin B5,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5881.0	Semi standard non polar	33892256
Procyanidin B5,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O)=CC=C1O	5918.4	Semi standard non polar	33892256
Procyanidin B5,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O)C=C1O	5933.7	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC2=C(CC(O[Si](C)(C)C(C)(C)C)[C@H](C3=CC=C(O)C(O)=C3)O2)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	5982.2	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5983.0	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	6008.9	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #12	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=C2O[C@@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)CC2=C1O	5988.6	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	6004.0	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5981.0	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(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)C(O)=C3CC2O)C=C1O	5951.7	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@@H]4O)C(O[Si](C)(C)C(C)(C)C)=C3CC2O)C=C1O	5973.8	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@@H]4O)C(O)=C3CC2O)C=C1O[Si](C)(C)C(C)(C)C	6002.8	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O)=CC=C1O	5954.8	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O)=CC=C1O	5984.8	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O[Si](C)(C)C(C)(C)C)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	6009.8	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #20	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=C2O[C@@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)CC2=C1O	5962.9	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C5)C(O)CC4=C3O)[C@H]2O)C=C1O	5973.3	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O)=CC=C1O	5952.6	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(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)C(O)=C3CC2O)=CC=C1O	5928.4	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@@H]4O)C(O[Si](C)(C)C(C)(C)C)=C3CC2O)=CC=C1O	5947.3	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC2=C(CC(O)[C@H](C3=CC=C(O)C(O)=C3)O2)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	5994.8	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	6003.9	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #27	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O	5973.1	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #28	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O)C=C1O	5971.2	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #29	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O)=CC=C1O	5957.5	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #3	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)CC2=C1O	6006.8	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC2=C(CC(O)[C@H](C3=CC=C(O)C(O)=C3)O2)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	5954.7	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=C2CC(O)[C@H](C3=CC=C(O)C(O)=C3)OC2=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	5948.5	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2	5996.4	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #33	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O	5962.9	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O	5952.1	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O	5938.7	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #36	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=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5982.0	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #37	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O	5985.1	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #38	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O	5973.6	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #39	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=C2O[C@@H](C3=CC=C(O)C(O)=C3)C(O)CC2=C1O[Si](C)(C)C(C)(C)C	5964.5	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C(C)(C)C)CC4=C3O)[C@H]2O)C=C1O	6017.2	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1[C@H](C1=C(O)C=C3O[C@@H](C4=CC=C(O)C(O)=C4)C(O)CC3=C1O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2	5994.0	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #41	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O)C=C1O	6000.1	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #42	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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O)=CC=C1O	5986.9	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O[Si](C)(C)C(C)(C)C)[C@H]2O)=CC=C1O	5954.5	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	6000.8	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,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=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O)CC4=C3O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O	5965.1	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C4O[C@@H](C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C(C)(C)C)CC4=C3O)[C@H]2O)=CC=C1O	6003.6	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1CC2=C(C=C(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)=C2O)O[C@H]1C1=CC=C(O)C(O)=C1	5960.2	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=C2CC(O[Si](C)(C)C(C)(C)C)[C@H](C3=CC=C(O)C(O)=C3)OC2=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	5970.7	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@@H]4O)C(O)=C3CC2O[Si](C)(C)C(C)(C)C)C=C1O	6024.7	Semi standard non polar	33892256
Procyanidin B5,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC=C(O)C(O)=C5)[C@@H]4O)C(O)=C3CC2O[Si](C)(C)C(C)(C)C)=CC=C1O	6007.4	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 B5 GC-MS (Non-derivatized) - 70eV, Positive	splash10-03mj-0510690000-ddcfcf385c610cd1911a	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS (1 TMS) - 70eV, Positive	splash10-00g0-9310124000-9deb4c99e28326c69e57	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS ("Procyanidin B5,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Procyanidin B5 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 B5 10V, Positive-QTOF	splash10-004i-0110980000-2c369a153d6ea6fa2c76	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Procyanidin B5 20V, Positive-QTOF	splash10-0a4i-0345920000-459a5d956bdedc477250	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Procyanidin B5 40V, Positive-QTOF	splash10-0006-0490110000-789592a7968418ec629b	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Procyanidin B5 10V, Negative-QTOF	splash10-004i-0100290000-43401d2c95272f7a5a2a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Procyanidin B5 20V, Negative-QTOF	splash10-0kbr-0920440000-7ae25bb3583e1808f102	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Procyanidin B5 40V, Negative-QTOF	splash10-004i-0920000000-bd1f46e683fa8bbf6232	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Procyanidin B5 10V, Positive-QTOF	splash10-004i-0000290000-57f632a5de36f3e17ac5	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Procyanidin B5 20V, Positive-QTOF	splash10-056r-0500950000-e01b0957161f32c8630d	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Procyanidin B5 40V, Positive-QTOF	splash10-00di-1930110000-0567622d5873da1e6ee1	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Procyanidin B5 10V, Negative-QTOF	splash10-004i-0000090000-c566ecdb6c1584a6872c	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Procyanidin B5 20V, Negative-QTOF	splash10-004i-0100960000-2a59a11751510bc2f11c	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Procyanidin B5 40V, Negative-QTOF	splash10-00bd-2200960000-bef3f989a99166b57808	2021-09-23	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

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Procyanidin B5

METLIN ID

Not Available

PubChem Compound

131752343

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 B5 (HMDB0038366)

MOL for HMDB0038366 (Procyanidin B5)

3D MOL for HMDB0038366 (Procyanidin B5)

3D SDF for HMDB0038366 (Procyanidin B5)

3D-SDF for HMDB0038366 (Procyanidin B5)

PDB for HMDB0038366 (Procyanidin B5)

3D PDB for HMDB0038366 (Procyanidin B5)

SMILES for HMDB0038366 (Procyanidin B5)

INCHI for HMDB0038366 (Procyanidin B5)

Structure for HMDB0038366 (Procyanidin B5)

3D Structure for HMDB0038366 (Procyanidin B5)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra