Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 22:54:09 UTC

Update Date

2022-03-07 02:55:26 UTC

HMDB ID

HMDB0037652

Secondary Accession Numbers

HMDB37652

Metabolite Identification

Common Name

Prodelphinidin B

Description

Prodelphinidin B belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. Prodelphinidin B has been detected, but not quantified in, alcoholic beverages. This could make prodelphinidin b a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Prodelphinidin B.

Structure

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


  Mrv0541 02241208382D          

 44 49  0  0  0  0            999 V2000
    1.7612    3.1232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0411    2.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3195    3.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4005    2.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    3.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    3.9245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828    1.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2043    1.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9245    1.8423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828   -0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8423    2.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8423    1.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    1.4424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4827    0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9245    0.1614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2043    0.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828    0.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7612    0.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7612    1.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0411    1.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3195    1.3613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4005    1.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0410   -0.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3195   -0.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4816   -0.0804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0410   -1.7613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3195   -1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4816   -1.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4816   -2.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005   -3.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005   -3.9245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2030   -0.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4827   -0.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7612   -0.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7612   -1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4827   -1.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2030   -1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9245   -1.7613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005   -1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -2.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6422   -3.0422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6422   -1.3612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  2  0  0  0  0
  8  9  1  0  0  0  0
  8 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 35  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 27 28  1  0  0  0  0
 27 36  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 40  2  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 42  1  0  0  0  0
 33 34  1  0  0  0  0
 33 38  2  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 44  1  0  0  0  0
 42 43  1  0  0  0  0
M  END

HMDB0037652
     RDKit          3D
Prodelphinidin B
 70 75  0  0  0  0  0  0  0  0999 V2000
    4.2410   -3.8464    3.6752 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912   -3.0597    2.9019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0321   -3.0120    3.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1991   -2.2364    2.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1841   -2.1892    2.5588 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7440   -1.4632    1.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0982   -1.4742    1.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8869   -2.2821    1.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296   -0.6948    0.0355 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0137    0.5682   -0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5821    1.2925   -1.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8666    2.6271   -1.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4053    3.4210   -2.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6502    4.7580   -1.9165 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6581    2.8156   -3.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1904    3.5515   -4.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3694    1.4569   -3.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6210    0.8340   -4.7461 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8393    0.7033   -2.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5497    0.3435   -0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4635   -0.0621   -1.7713 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580   -0.6314    0.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513   -1.4800   -0.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3770   -2.3965   -1.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7240   -2.5929   -1.4728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5119   -3.1383   -2.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8780   -2.9972   -1.8878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8145   -3.7160   -2.6139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3361   -2.0644   -0.9469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4479   -1.3319   -0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9535   -0.4235    0.7074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1798    0.2287    0.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5840    1.1774    1.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6949    2.0389    1.9922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0265    2.9484    2.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0817    3.7951    3.5141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3444    2.9712    3.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6628    3.8873    4.3930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2607    2.1137    2.8495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5719    2.1756    3.3106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8893    1.2044    1.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2465   -0.7461    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2517   -0.0689   -0.7106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7939   -1.9128   -0.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4033   -4.7909    3.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6406   -3.6191    3.9107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5554   -2.7588    3.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9629   -2.2808    1.6621 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1181    1.2186    0.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6672    3.1176   -0.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0294    5.3777   -2.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4111    4.5279   -4.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0092    1.3133   -5.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157   -0.3475   -2.6244 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0975    1.3773   -0.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7227    0.4323   -2.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1732   -0.0434    1.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0758   -3.2598   -2.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365   -3.8617   -2.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5008   -4.3812   -3.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    0.8541   -0.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6704    2.0282    1.6686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3695    4.4437    4.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6061    3.9183    4.7118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3050    1.5694    2.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6832    0.5757    1.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7180   -1.1270    0.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5647   -0.6097   -1.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1947   -2.8926   -0.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2638   -1.8737   -1.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  2  0
 10 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  1  0
 35 37  2  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  2  0
 32 42  1  0
 42 43  1  0
 42 44  1  0
  8  2  1  0
 19 11  1  0
 30 23  1  0
 41 33  1  0
 22  6  1  0
 44 29  1  0
  1 45  1  0
  3 46  1  0
  5 47  1  0
  8 48  1  0
 10 49  1  0
 12 50  1  0
 14 51  1  0
 16 52  1  0
 18 53  1  0
 19 54  1  0
 20 55  1  0
 21 56  1  0
 22 57  1  0
 25 58  1  0
 26 59  1  0
 28 60  1  0
 32 61  1  0
 34 62  1  0
 36 63  1  0
 38 64  1  0
 40 65  1  0
 41 66  1  0
 42 67  1  0
 43 68  1  0
 44 69  1  0
 44 70  1  0
M  END


  Mrv0541 02241208382D          

 44 49  0  0  0  0            999 V2000
    1.7612    3.1232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0411    2.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3195    3.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4005    2.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    3.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    3.9245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828    1.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2043    1.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9245    1.8423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828   -0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8423    2.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8423    1.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    1.4424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4827    0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9245    0.1614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2043    0.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828    0.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7612    0.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7612    1.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0411    1.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3195    1.3613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4005    1.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0410   -0.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3195   -0.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4816   -0.0804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0410   -1.7613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3195   -1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4816   -1.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4816   -2.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005   -3.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005   -3.9245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2030   -0.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4827   -0.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7612   -0.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7612   -1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4827   -1.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2030   -1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9245   -1.7613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005   -1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -2.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6422   -3.0422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6422   -1.3612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  2  0  0  0  0
  8  9  1  0  0  0  0
  8 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 35  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 27 28  1  0  0  0  0
 27 36  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 40  2  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 42  1  0  0  0  0
 33 34  1  0  0  0  0
 33 38  2  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 44  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037652

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=CC(O)=CC(O)=C34)C3=CC(O)=C(O)C(O)=C3)=C2OC1C1=CC(O)=C(O)C(O)=C1

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

> <INCHI_KEY>
RTEDIEITOBJPNI-UHFFFAOYSA-N

> <FORMULA>
C30H26O14

> <MOLECULAR_WEIGHT>
610.519

> <EXACT_MASS>
610.13225554

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
57.70900467466623

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
12

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
2.13

> <JCHEM_LOGP>
2.508614370333333

> <ALOGPS_LOGS>
-3.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.967296531848277

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.457041885451149

> <JCHEM_PKA_STRONGEST_BASIC>
-5.214620116717765

> <JCHEM_POLAR_SURFACE_AREA>
261.21999999999997

> <JCHEM_REFRACTIVITY>
150.46980000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.35e-01 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037652
     RDKit          3D
Prodelphinidin B
 70 75  0  0  0  0  0  0  0  0999 V2000
    4.2410   -3.8464    3.6752 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912   -3.0597    2.9019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0321   -3.0120    3.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1991   -2.2364    2.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1841   -2.1892    2.5588 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7440   -1.4632    1.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0982   -1.4742    1.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8869   -2.2821    1.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296   -0.6948    0.0355 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0137    0.5682   -0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5821    1.2925   -1.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8666    2.6271   -1.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4053    3.4210   -2.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6502    4.7580   -1.9165 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6581    2.8156   -3.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1904    3.5515   -4.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3694    1.4569   -3.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6210    0.8340   -4.7461 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8393    0.7033   -2.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5497    0.3435   -0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4635   -0.0621   -1.7713 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580   -0.6314    0.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513   -1.4800   -0.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3770   -2.3965   -1.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7240   -2.5929   -1.4728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5119   -3.1383   -2.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8780   -2.9972   -1.8878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8145   -3.7160   -2.6139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3361   -2.0644   -0.9469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4479   -1.3319   -0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9535   -0.4235    0.7074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1798    0.2287    0.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5840    1.1774    1.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6949    2.0389    1.9922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0265    2.9484    2.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0817    3.7951    3.5141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3444    2.9712    3.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6628    3.8873    4.3930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2607    2.1137    2.8495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5719    2.1756    3.3106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8893    1.2044    1.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2465   -0.7461    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2517   -0.0689   -0.7106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7939   -1.9128   -0.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4033   -4.7909    3.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6406   -3.6191    3.9107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5554   -2.7588    3.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9629   -2.2808    1.6621 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1181    1.2186    0.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6672    3.1176   -0.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0294    5.3777   -2.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4111    4.5279   -4.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0092    1.3133   -5.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157   -0.3475   -2.6244 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0975    1.3773   -0.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7227    0.4323   -2.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1732   -0.0434    1.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0758   -3.2598   -2.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365   -3.8617   -2.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5008   -4.3812   -3.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    0.8541   -0.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6704    2.0282    1.6686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3695    4.4437    4.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6061    3.9183    4.7118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3050    1.5694    2.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6832    0.5757    1.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7180   -1.1270    0.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5647   -0.6097   -1.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1947   -2.8926   -0.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2638   -1.8737   -1.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  2  0
 10 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  1  0
 35 37  2  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  2  0
 32 42  1  0
 42 43  1  0
 42 44  1  0
  8  2  1  0
 19 11  1  0
 30 23  1  0
 41 33  1  0
 22  6  1  0
 44 29  1  0
  1 45  1  0
  3 46  1  0
  5 47  1  0
  8 48  1  0
 10 49  1  0
 12 50  1  0
 14 51  1  0
 16 52  1  0
 18 53  1  0
 19 54  1  0
 20 55  1  0
 21 56  1  0
 22 57  1  0
 25 58  1  0
 26 59  1  0
 28 60  1  0
 32 61  1  0
 34 62  1  0
 36 63  1  0
 38 64  1  0
 40 65  1  0
 41 66  1  0
 42 67  1  0
 43 68  1  0
 44 69  1  0
 44 70  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       3.288   5.830   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.943   4.932   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.596   5.830   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.748   4.932   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.092   5.830   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -2.092   7.326   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       4.635   3.439   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.981   2.692   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       7.326   3.439   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       4.635  -1.345   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -3.439   4.932   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.439   3.439   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -4.783   2.692   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -4.634   1.345   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       7.326   0.301   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       5.981   1.045   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.635   0.301   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.288   1.045   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.288   2.692   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.943   3.439   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       0.596   2.541   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -0.748   3.439   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.092   2.692   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.943  -0.150   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.596  -1.048   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       0.899  -0.150   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -1.943  -3.288   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -0.596  -2.541   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.899  -3.288   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.899  -4.935   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.241  -5.679   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       2.241  -7.326   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -5.979  -1.048   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -4.634  -0.150   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -3.288  -1.048   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -3.288  -2.541   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -4.634  -3.288   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -5.979  -2.541   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -7.326  -3.288   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       2.241  -2.541   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       3.590  -3.288   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       3.590  -4.935   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       4.932  -5.679   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       4.932  -2.541   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   20                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   22                                                  
CONECT    5    4    6   11                                                  
CONECT    6    5                                                            
CONECT    7    8   19                                                       
CONECT    8    7    9   16                                                  
CONECT    9    8                                                            
CONECT   10   17                                                            
CONECT   11    5   12                                                       
CONECT   12   11   13   23                                                  
CONECT   13   12                                                            
CONECT   14   34                                                            
CONECT   15   16                                                            
CONECT   16    8   15   17                                                  
CONECT   17   10   16   18                                                  
CONECT   18   17   19                                                       
CONECT   19    7   18   20                                                  
CONECT   20    2   19   21                                                  
CONECT   21   20   22                                                       
CONECT   22    4   21   23                                                  
CONECT   23   12   22   24                                                  
CONECT   24   23   25   35                                                  
CONECT   25   24   26   28                                                  
CONECT   26   25                                                            
CONECT   27   28   36                                                       
CONECT   28   25   27   29                                                  
CONECT   29   28   30   40                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   42                                                  
CONECT   32   31                                                            
CONECT   33   34   38                                                       
CONECT   34   14   33   35                                                  
CONECT   35   24   34   36                                                  
CONECT   36   27   35   37                                                  
CONECT   37   36   38                                                       
CONECT   38   33   37   39                                                  
CONECT   39   38                                                            
CONECT   40   29   41                                                       
CONECT   41   40   42   44                                                  
CONECT   42   31   41   43                                                  
CONECT   43   42                                                            
CONECT   44   41                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   98    0
END

COMPND    HMDB0037652
HETATM    1  O1  UNL     1       4.241  -3.846   3.675  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.391  -3.060   2.902  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.032  -3.012   3.110  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.199  -2.236   2.346  1.00  0.00           C  
HETATM    5  O2  UNL     1      -0.184  -2.189   2.559  1.00  0.00           O  
HETATM    6  C4  UNL     1       1.744  -1.463   1.317  1.00  0.00           C  
HETATM    7  C5  UNL     1       3.098  -1.474   1.067  1.00  0.00           C  
HETATM    8  C6  UNL     1       3.887  -2.282   1.878  1.00  0.00           C  
HETATM    9  O3  UNL     1       3.630  -0.695   0.036  1.00  0.00           O  
HETATM   10  C7  UNL     1       3.014   0.568  -0.144  1.00  0.00           C  
HETATM   11  C8  UNL     1       3.582   1.292  -1.307  1.00  0.00           C  
HETATM   12  C9  UNL     1       3.867   2.627  -1.164  1.00  0.00           C  
HETATM   13  C10 UNL     1       4.405   3.421  -2.180  1.00  0.00           C  
HETATM   14  O4  UNL     1       4.650   4.758  -1.916  1.00  0.00           O  
HETATM   15  C11 UNL     1       4.658   2.816  -3.384  1.00  0.00           C  
HETATM   16  O5  UNL     1       5.190   3.552  -4.424  1.00  0.00           O  
HETATM   17  C12 UNL     1       4.369   1.457  -3.533  1.00  0.00           C  
HETATM   18  O6  UNL     1       4.621   0.834  -4.746  1.00  0.00           O  
HETATM   19  C13 UNL     1       3.839   0.703  -2.512  1.00  0.00           C  
HETATM   20  C14 UNL     1       1.550   0.343  -0.420  1.00  0.00           C  
HETATM   21  O7  UNL     1       1.463  -0.062  -1.771  1.00  0.00           O  
HETATM   22  C15 UNL     1       0.858  -0.631   0.471  1.00  0.00           C  
HETATM   23  C16 UNL     1      -0.051  -1.480  -0.357  1.00  0.00           C  
HETATM   24  C17 UNL     1       0.377  -2.397  -1.280  1.00  0.00           C  
HETATM   25  O8  UNL     1       1.724  -2.593  -1.473  1.00  0.00           O  
HETATM   26  C18 UNL     1      -0.512  -3.138  -2.029  1.00  0.00           C  
HETATM   27  C19 UNL     1      -1.878  -2.997  -1.888  1.00  0.00           C  
HETATM   28  O9  UNL     1      -2.815  -3.716  -2.614  1.00  0.00           O  
HETATM   29  C20 UNL     1      -2.336  -2.064  -0.947  1.00  0.00           C  
HETATM   30  C21 UNL     1      -1.448  -1.332  -0.208  1.00  0.00           C  
HETATM   31  O10 UNL     1      -1.954  -0.424   0.707  1.00  0.00           O  
HETATM   32  C22 UNL     1      -3.180   0.229   0.378  1.00  0.00           C  
HETATM   33  C23 UNL     1      -3.584   1.177   1.425  1.00  0.00           C  
HETATM   34  C24 UNL     1      -2.695   2.039   1.992  1.00  0.00           C  
HETATM   35  C25 UNL     1      -3.027   2.948   2.979  1.00  0.00           C  
HETATM   36  O11 UNL     1      -2.082   3.795   3.514  1.00  0.00           O  
HETATM   37  C26 UNL     1      -4.344   2.971   3.404  1.00  0.00           C  
HETATM   38  O12 UNL     1      -4.663   3.887   4.393  1.00  0.00           O  
HETATM   39  C27 UNL     1      -5.261   2.114   2.849  1.00  0.00           C  
HETATM   40  O13 UNL     1      -6.572   2.176   3.311  1.00  0.00           O  
HETATM   41  C28 UNL     1      -4.889   1.204   1.851  1.00  0.00           C  
HETATM   42  C29 UNL     1      -4.247  -0.746   0.008  1.00  0.00           C  
HETATM   43  O14 UNL     1      -5.252  -0.069  -0.711  1.00  0.00           O  
HETATM   44  C30 UNL     1      -3.794  -1.913  -0.782  1.00  0.00           C  
HETATM   45  H1  UNL     1       4.403  -4.791   3.347  1.00  0.00           H  
HETATM   46  H2  UNL     1       1.641  -3.619   3.911  1.00  0.00           H  
HETATM   47  H3  UNL     1      -0.555  -2.759   3.311  1.00  0.00           H  
HETATM   48  H4  UNL     1       4.963  -2.281   1.662  1.00  0.00           H  
HETATM   49  H5  UNL     1       3.118   1.219   0.774  1.00  0.00           H  
HETATM   50  H6  UNL     1       3.667   3.118  -0.204  1.00  0.00           H  
HETATM   51  H7  UNL     1       5.029   5.378  -2.587  1.00  0.00           H  
HETATM   52  H8  UNL     1       5.411   4.528  -4.356  1.00  0.00           H  
HETATM   53  H9  UNL     1       5.009   1.313  -5.547  1.00  0.00           H  
HETATM   54  H10 UNL     1       3.616  -0.348  -2.624  1.00  0.00           H  
HETATM   55  H11 UNL     1       1.097   1.377  -0.326  1.00  0.00           H  
HETATM   56  H12 UNL     1       0.723   0.432  -2.202  1.00  0.00           H  
HETATM   57  H13 UNL     1       0.173  -0.043   1.152  1.00  0.00           H  
HETATM   58  H14 UNL     1       2.076  -3.260  -2.145  1.00  0.00           H  
HETATM   59  H15 UNL     1      -0.137  -3.862  -2.759  1.00  0.00           H  
HETATM   60  H16 UNL     1      -2.501  -4.381  -3.285  1.00  0.00           H  
HETATM   61  H17 UNL     1      -2.983   0.854  -0.543  1.00  0.00           H  
HETATM   62  H18 UNL     1      -1.670   2.028   1.669  1.00  0.00           H  
HETATM   63  H19 UNL     1      -2.370   4.444   4.233  1.00  0.00           H  
HETATM   64  H20 UNL     1      -5.606   3.918   4.712  1.00  0.00           H  
HETATM   65  H21 UNL     1      -7.305   1.569   2.945  1.00  0.00           H  
HETATM   66  H22 UNL     1      -5.683   0.576   1.481  1.00  0.00           H  
HETATM   67  H23 UNL     1      -4.718  -1.127   0.950  1.00  0.00           H  
HETATM   68  H24 UNL     1      -5.565  -0.610  -1.464  1.00  0.00           H  
HETATM   69  H25 UNL     1      -4.195  -2.893  -0.375  1.00  0.00           H  
HETATM   70  H26 UNL     1      -4.264  -1.874  -1.815  1.00  0.00           H  
CONECT    1    2   45
CONECT    2    3    3    8
CONECT    3    4   46
CONECT    4    5    6    6
CONECT    5   47
CONECT    6    7   22
CONECT    7    8    8    9
CONECT    8   48
CONECT    9   10
CONECT   10   11   20   49
CONECT   11   12   12   19
CONECT   12   13   50
CONECT   13   14   15   15
CONECT   14   51
CONECT   15   16   17
CONECT   16   52
CONECT   17   18   19   19
CONECT   18   53
CONECT   19   54
CONECT   20   21   22   55
CONECT   21   56
CONECT   22   23   57
CONECT   23   24   24   30
CONECT   24   25   26
CONECT   25   58
CONECT   26   27   27   59
CONECT   27   28   29
CONECT   28   60
CONECT   29   30   30   44
CONECT   30   31
CONECT   31   32
CONECT   32   33   42   61
CONECT   33   34   34   41
CONECT   34   35   62
CONECT   35   36   37   37
CONECT   36   63
CONECT   37   38   39
CONECT   38   64
CONECT   39   40   41   41
CONECT   40   65
CONECT   41   66
CONECT   42   43   44   67
CONECT   43   68
CONECT   44   69   70
END

HMDB0037652
     RDKit          3D
Prodelphinidin B
 70 75  0  0  0  0  0  0  0  0999 V2000
    4.2410   -3.8464    3.6752 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912   -3.0597    2.9019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0321   -3.0120    3.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1991   -2.2364    2.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1841   -2.1892    2.5588 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7440   -1.4632    1.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0982   -1.4742    1.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8869   -2.2821    1.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296   -0.6948    0.0355 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0137    0.5682   -0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5821    1.2925   -1.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8666    2.6271   -1.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4053    3.4210   -2.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6502    4.7580   -1.9165 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6581    2.8156   -3.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1904    3.5515   -4.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3694    1.4569   -3.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6210    0.8340   -4.7461 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8393    0.7033   -2.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5497    0.3435   -0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4635   -0.0621   -1.7713 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580   -0.6314    0.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513   -1.4800   -0.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3770   -2.3965   -1.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7240   -2.5929   -1.4728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5119   -3.1383   -2.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8780   -2.9972   -1.8878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8145   -3.7160   -2.6139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3361   -2.0644   -0.9469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4479   -1.3319   -0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9535   -0.4235    0.7074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1798    0.2287    0.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5840    1.1774    1.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6949    2.0389    1.9922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0265    2.9484    2.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0817    3.7951    3.5141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3444    2.9712    3.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6628    3.8873    4.3930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2607    2.1137    2.8495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5719    2.1756    3.3106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8893    1.2044    1.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2465   -0.7461    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2517   -0.0689   -0.7106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7939   -1.9128   -0.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4033   -4.7909    3.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6406   -3.6191    3.9107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5554   -2.7588    3.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9629   -2.2808    1.6621 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1181    1.2186    0.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6672    3.1176   -0.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0294    5.3777   -2.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4111    4.5279   -4.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0092    1.3133   -5.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157   -0.3475   -2.6244 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0975    1.3773   -0.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7227    0.4323   -2.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1732   -0.0434    1.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0758   -3.2598   -2.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365   -3.8617   -2.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5008   -4.3812   -3.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    0.8541   -0.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6704    2.0282    1.6686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3695    4.4437    4.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6061    3.9183    4.7118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3050    1.5694    2.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6832    0.5757    1.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7180   -1.1270    0.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5647   -0.6097   -1.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1947   -2.8926   -0.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2638   -1.8737   -1.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  2  0
 10 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  1  0
 35 37  2  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  2  0
 32 42  1  0
 42 43  1  0
 42 44  1  0
  8  2  1  0
 19 11  1  0
 30 23  1  0
 41 33  1  0
 22  6  1  0
 44 29  1  0
  1 45  1  0
  3 46  1  0
  5 47  1  0
  8 48  1  0
 10 49  1  0
 12 50  1  0
 14 51  1  0
 16 52  1  0
 18 53  1  0
 19 54  1  0
 20 55  1  0
 21 56  1  0
 22 57  1  0
 25 58  1  0
 26 59  1  0
 28 60  1  0
 32 61  1  0
 34 62  1  0
 36 63  1  0
 38 64  1  0
 40 65  1  0
 41 66  1  0
 42 67  1  0
 43 68  1  0
 44 69  1  0
 44 70  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Epigallocatechin(4a->8)epigallocatechin	HMDB
Prodelphinidin b9	HMDB

Chemical Formula

C₃₀H₂₆O₁₄

Average Molecular Weight

610.519

Monoisotopic Molecular Weight

610.13225554

IUPAC Name

8-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

Traditional Name

8-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

CAS Registry Number

86631-36-9

SMILES

OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=CC(O)=CC(O)=C34)C3=CC(O)=C(O)C(O)=C3)=C2OC1C1=CC(O)=C(O)C(O)=C1

InChI Identifier

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

InChI Key

RTEDIEITOBJPNI-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Biflavonoids and polyflavonoids

Direct Parent

Biflavonoids and polyflavonoids

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

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

Drupe

Tropical fruit

Berry

Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Strawberry (FooDB: FOOD00083)
Common grape (FooDB: FOOD00204)

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)

Cereal and cereal product

Cereal

Cereal product

Cereals and cereal products (FooDB: FOOD00858)

Pulse

Bean

Lentil

Lentils (FooDB: FOOD00098)

Pea

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

Soy

Soy bean (FooDB: FOOD00085)

Beverage

Fermented beverage

Nut

Chestnut (FooDB: FOOD00045)
Common hazelnut (FooDB: FOOD00062)

Gourd

Tea

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

Herb and spice

Herb

Amaranth (FooDB: FOOD00288)
Teff (FooDB: FOOD00489)

Other seed

Quinoa (FooDB: FOOD00441)

Process

Not Available

Role

Biological role

anti inflammatory (FooDB: )

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	0.24 g/L	ALOGPS
logP	2.13	ALOGPS
logP	2.51	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	8.46	ChemAxon
pKa (Strongest Basic)	-5.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	12	ChemAxon
Polar Surface Area	261.22 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	150.47 m³·mol⁻¹	ChemAxon
Polarizability	57.71 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]+	237.281	31661259
DarkChem	[M-H]-	225.992	31661259
DeepCCS	[M-2H]-	261.338	30932474
DeepCCS	[M+Na]+	235.55	30932474
AllCCS	[M+H]+	240.4	32859911
AllCCS	[M+H-H2O]+	238.9	32859911
AllCCS	[M+NH4]+	241.7	32859911
AllCCS	[M+Na]+	242.1	32859911
AllCCS	[M-H]-	237.2	32859911
AllCCS	[M+Na-2H]-	239.2	32859911
AllCCS	[M+HCOO]-	241.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Prodelphinidin B	OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=CC(O)=CC(O)=C34)C3=CC(O)=C(O)C(O)=C3)=C2OC1C1=CC(O)=C(O)C(O)=C1	7652.0	Standard polar	33892256
Prodelphinidin B	OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=CC(O)=CC(O)=C34)C3=CC(O)=C(O)C(O)=C3)=C2OC1C1=CC(O)=C(O)C(O)=C1	5270.3	Standard non polar	33892256
Prodelphinidin B	OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=CC(O)=CC(O)=C34)C3=CC(O)=C(O)C(O)=C3)=C2OC1C1=CC(O)=C(O)C(O)=C1	6451.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Prodelphinidin B,1TMS,isomer #1	C[Si](C)(C)OC1CC2=C(O)C=C(O)C(C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)C3O)=C2OC1C1=CC(O)=C(O)C(O)=C1	6137.0	Semi standard non polar	33892256
Prodelphinidin B,1TMS,isomer #10	C[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C=C1O	6162.3	Semi standard non polar	33892256
Prodelphinidin B,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	6172.0	Semi standard non polar	33892256
Prodelphinidin B,1TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=C2CC(O)C(C3=CC(O)=C(O)C(O)=C3)OC2=C1C1C2=C(O)C=C(O)C=C2OC(C2=CC(O)=C(O)C(O)=C2)C1O	6170.3	Semi standard non polar	33892256
Prodelphinidin B,1TMS,isomer #4	C[Si](C)(C)OC1C(C2=CC(O)=C(O)C(O)=C2)OC2=CC(O)=CC(O)=C2C1C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	6135.8	Semi standard non polar	33892256
Prodelphinidin B,1TMS,isomer #5	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	6181.7	Semi standard non polar	33892256
Prodelphinidin B,1TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	6185.4	Semi standard non polar	33892256
Prodelphinidin B,1TMS,isomer #7	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O	6178.2	Semi standard non polar	33892256
Prodelphinidin B,1TMS,isomer #8	C[Si](C)(C)OC1=C(O)C=C(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)C=C1O	6174.0	Semi standard non polar	33892256
Prodelphinidin B,1TMS,isomer #9	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O	6167.3	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #1	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5988.4	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #10	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5997.6	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	6017.2	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #12	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	6029.2	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #13	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O	6012.4	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	6045.4	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5983.3	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #16	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O	6004.4	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	6046.6	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O[Si](C)(C)C)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	6037.4	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	6036.8	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2CC(O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)OC2=C1C1C2=C(O)C=C(O)C=C2OC(C2=CC(O)=C(O)C(O)=C2)C1O	5996.4	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #20	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O	6015.8	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=C2CC(O)C(C3=CC(O)=C(O)C(O)=C3)OC2=C1C1C2=C(O)C=C(O)C=C2OC(C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C1O	6047.4	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=C2CC(O)C(C3=CC(O)=C(O)C(O)=C3)OC2=C1C1C2=C(O)C=C(O)C=C2OC(C2=CC(O)=C(O)C(O)=C2)C1O[Si](C)(C)C	5993.3	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #23	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O	6008.1	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #24	C[Si](C)(C)OC1=CC(O)=C2CC(O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1C1C2=C(O)C=C(O)C=C2OC(C2=CC(O)=C(O)C(O)=C2)C1O	6047.7	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #25	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O)=C1O	5989.6	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #26	C[Si](C)(C)OC1=C(O)C=C(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)C=C1O	6027.2	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #27	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	6012.2	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #28	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	6014.9	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #29	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5978.1	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	6019.0	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #30	C[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)C=C1O	6021.5	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #31	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	6004.3	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #32	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	6037.5	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #33	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	6081.2	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #34	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	6036.7	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #35	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	6081.6	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #36	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O	6009.7	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #37	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	6050.9	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #38	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O	6018.0	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #39	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	6049.8	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	6018.6	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #40	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O	5999.4	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #41	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O	6047.7	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #42	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O[Si](C)(C)C)=C1O	6006.5	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #43	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O[Si](C)(C)C	6011.0	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #44	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O	6038.1	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #45	C[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)C=C1O	6058.0	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #46	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O	5998.9	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #47	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C	6002.9	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #5	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O)=C1O	5997.0	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #6	C[Si](C)(C)OC1=C(O)C=C(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)C=C1O	6039.1	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #7	C[Si](C)(C)OC1CC2=C(O)C=C(O)C(C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)C3O[Si](C)(C)C)=C2OC1C1=CC(O)=C(O)C(O)=C1	5948.8	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #8	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O	5990.3	Semi standard non polar	33892256
Prodelphinidin B,2TMS,isomer #9	C[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C=C1O	6029.6	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #1	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5857.1	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5893.8	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #100	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5848.0	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #101	C[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C=C1O	5882.5	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #102	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5860.9	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #103	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5870.3	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #104	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5895.5	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #105	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5825.9	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #106	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C3)C(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5855.8	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #107	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5840.2	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #108	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5852.5	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #109	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5869.5	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #11	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O)=C1O	5860.1	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #110	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5869.8	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #111	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)O2	5871.6	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #112	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5869.8	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #113	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5916.5	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #114	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5900.0	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #115	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5900.8	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #116	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5901.3	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #117	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5899.9	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #118	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5899.1	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #119	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5913.7	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #12	C[Si](C)(C)OC1=CC(O)=C2CC(O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)OC2=C1C1C2=C(O)C=C(O)C=C2OC(C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C1O	5884.4	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #120	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2	5897.4	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #121	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O	5848.3	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #122	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O	5857.1	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #123	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O	5858.4	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #124	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C	5848.6	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #125	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O	5862.0	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #126	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5857.8	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #127	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O[Si](C)(C)C)=C1O	5869.4	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #128	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O[Si](C)(C)C	5857.1	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #129	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O	5882.7	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=C2CC(O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)OC2=C1C1C2=C(O)C=C(O)C=C2OC(C2=CC(O)=C(O)C(O)=C2)C1O[Si](C)(C)C	5828.7	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #130	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O	5866.2	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #131	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C4)C2O)=CC(O)=C1O	5890.0	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #132	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C4)C2O)=CC(O)=C1O	5878.1	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #133	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)C2O)=CC(O[Si](C)(C)C)=C1O	5914.8	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #134	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O[Si](C)(C)C	5901.0	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #135	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5890.3	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #136	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O	5902.9	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #137	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C	5891.8	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #138	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5879.7	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #14	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O	5855.3	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=C2CC(O[Si](C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1C1C2=C(O)C=C(O)C=C2OC(C2=CC(O)=C(O)C(O)=C2)C1O	5883.9	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #16	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5875.8	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #17	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O	5850.1	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5875.2	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C3)C(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5844.8	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5866.0	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #20	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O)=C1O	5853.2	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C3)C(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5877.2	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5893.9	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #23	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5926.8	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #24	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5861.6	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2	5896.1	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #26	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2	5925.3	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #27	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O	5852.5	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #28	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O)=C1O	5896.0	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #29	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O[Si](C)(C)C)=CC(O)=C1O	5831.8	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5900.9	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #30	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O[Si](C)(C)C)=C1O	5869.1	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #31	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O)=C1O[Si](C)(C)C	5882.2	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #32	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O	5891.1	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #33	C[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)C=C1O	5926.4	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #34	C[Si](C)(C)OC1=C(O)C=C(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O[Si](C)(C)C)C=C1O	5878.4	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #35	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5825.0	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #36	C[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)C=C1O	5872.8	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #37	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O	5868.3	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #38	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C	5877.6	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #39	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5857.3	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #4	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O)=C1O	5866.7	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #40	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5885.6	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #41	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O	5872.0	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #42	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5865.4	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #43	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5845.3	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #44	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O	5861.4	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #45	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5865.7	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #46	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O[Si](C)(C)C)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5880.5	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #47	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O	5863.6	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #48	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5860.6	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #49	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5854.0	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #5	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5898.8	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #50	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O	5852.9	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #51	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5861.1	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #52	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5908.1	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #53	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5905.9	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #54	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5884.9	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #55	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5906.5	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #56	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5906.6	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #57	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O	5878.5	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #58	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O	5898.4	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #59	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O)=C1O	5852.4	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5827.7	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #60	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O[Si](C)(C)C)=C1O	5900.1	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #61	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5876.4	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #62	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5862.9	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #63	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O	5889.8	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #64	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5891.7	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #65	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5837.7	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #66	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5865.5	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #67	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O	5889.3	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #68	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	5875.7	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #69	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O[Si](C)(C)C)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5865.0	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #7	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O	5861.8	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #70	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O	5843.3	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #71	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O[Si](C)(C)C)C=C(O)C3=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5864.2	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #72	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O[Si](C)(C)C)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5854.9	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #73	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O	5852.2	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #74	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O[Si](C)(C)C)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5863.7	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #75	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5890.4	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #76	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5890.9	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #77	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5877.2	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #78	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5888.7	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #79	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5891.5	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #8	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5897.0	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #80	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O	5865.8	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #81	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O	5888.1	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #82	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O)=C1O	5848.8	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #83	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O[Si](C)(C)C)=C1O	5884.1	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #84	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O[Si](C)(C)C	5872.0	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #85	C[Si](C)(C)OC1=CC(O)=C2CC(O)C(C3=CC(O)=C(O)C(O)=C3)OC2=C1C1C2=C(O)C=C(O)C=C2OC(C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C1O[Si](C)(C)C	5852.0	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #86	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O	5881.4	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #87	C[Si](C)(C)OC1=CC(O)=C2CC(O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1C1C2=C(O)C=C(O)C=C2OC(C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C1O	5889.5	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #88	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5834.3	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #89	C[Si](C)(C)OC1=CC(O)=C2CC(O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1C1C2=C(O)C=C(O)C=C2OC(C2=CC(O)=C(O)C(O)=C2)C1O[Si](C)(C)C	5857.0	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O[Si](C)(C)C)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5866.4	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #90	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O	5874.5	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #91	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C	5863.7	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #92	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5876.6	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #93	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O)=C1O	5843.2	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #94	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5829.7	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #95	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O)=C1O	5870.8	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #96	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5858.7	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #97	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5865.6	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #98	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5892.0	Semi standard non polar	33892256
Prodelphinidin B,3TMS,isomer #99	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O[Si](C)(C)C)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5851.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #1	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5731.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5714.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #100	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5800.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #101	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5735.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #102	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O	5713.0	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #103	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5687.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #104	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5712.0	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #105	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O	5695.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #106	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5689.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #107	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5742.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #108	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5719.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #109	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5748.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5714.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #110	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5741.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #111	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5719.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #112	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O	5692.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #113	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O	5673.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #114	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O)=C1O	5721.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #115	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O[Si](C)(C)C)=C1O	5751.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #116	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5721.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #117	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5686.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #118	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O	5661.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #119	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5616.0	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #12	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O	5733.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #120	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5701.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #121	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5690.4	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #122	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O	5730.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #123	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	5721.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #124	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O[Si](C)(C)C)C3=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5738.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #125	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O[Si](C)(C)C)C3=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5719.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #126	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O[Si](C)(C)C)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5743.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #127	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O[Si](C)(C)C)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)O2	5740.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #128	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O[Si](C)(C)C)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5719.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #129	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O	5685.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5712.0	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #130	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O	5671.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #131	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O)=C1O	5720.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #132	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O[Si](C)(C)C)=C1O	5747.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #133	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5719.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #134	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5684.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #135	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O	5659.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #136	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5617.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #137	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5697.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #138	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5687.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #139	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O	5727.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5785.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #140	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	5718.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #141	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5784.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #142	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5769.0	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #143	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5750.4	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #144	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5729.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #145	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5695.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #146	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5727.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #147	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5694.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #148	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5657.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #149	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5743.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5774.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #150	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5730.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #151	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5781.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #152	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2	5769.4	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #153	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O	5729.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #154	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O	5718.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #155	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5699.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #156	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C4)C2O)=CC(O)=C1O	5744.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #157	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C4)C2O)=CC(O)=C1O	5737.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #158	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O)=C1O	5700.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #159	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)C2O)=CC(O[Si](C)(C)C)=C1O	5713.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #16	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5767.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #160	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5692.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #161	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5758.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #162	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5723.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #163	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5781.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #164	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5683.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #165	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5662.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #166	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O	5700.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #167	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	5691.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #168	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5733.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #169	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	5719.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2	5789.0	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #170	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	5778.0	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #171	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O[Si](C)(C)C)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5727.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #172	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O[Si](C)(C)C)C=C(O)C3=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5708.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #173	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O[Si](C)(C)C)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5737.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #174	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O[Si](C)(C)C)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)O2	5728.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #175	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O[Si](C)(C)C)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5707.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #176	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O	5673.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #177	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O	5652.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #178	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5691.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #179	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O	5721.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2	5770.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #180	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C	5707.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #181	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O[Si](C)(C)C)C=C(O)C3=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C3)C(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5697.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #182	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O	5661.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #183	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O[Si](C)(C)C)C=C(O)C3=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5617.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #184	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O)=C1O	5713.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #185	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O[Si](C)(C)C)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O[Si](C)(C)C)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5693.0	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #186	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O[Si](C)(C)C)=C1O	5738.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #187	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O[Si](C)(C)C	5726.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #188	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5765.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #189	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5754.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #19	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O	5740.4	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #190	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5739.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #191	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5711.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #192	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5683.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #193	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5718.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #194	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5682.0	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #195	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5632.0	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #196	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5732.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #197	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5721.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #198	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5762.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #199	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2	5754.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5780.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #20	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O)=C1O	5745.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #200	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O	5721.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #201	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O	5711.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #202	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5690.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #203	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C4)C2O)=CC(O)=C1O	5732.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #204	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C4)C2O)=CC(O)=C1O	5728.4	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #205	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O)=C1O	5699.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #206	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)C2O)=CC(O[Si](C)(C)C)=C1O	5711.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #207	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O[Si](C)(C)C	5707.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #208	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5750.4	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #209	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5727.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #21	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O[Si](C)(C)C)=CC(O)=C1O	5731.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #210	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5783.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #211	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5681.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #212	C[Si](C)(C)OC1=CC(O)=C2CC(O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1C1C2=C(O)C=C(O)C=C2OC(C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C1O[Si](C)(C)C	5661.4	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #213	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O	5701.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #214	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C	5696.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #215	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5724.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #216	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5711.0	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #217	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5763.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #218	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)O2	5727.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #219	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5776.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #22	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O[Si](C)(C)C)=C1O	5787.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #220	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5751.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #221	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5723.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #222	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5715.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #223	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5680.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #224	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O)=C1O	5683.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #225	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5740.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #226	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5720.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #227	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5724.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #228	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5710.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #229	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O)=C1O	5729.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #23	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)C2=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5755.0	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #230	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O)=C1O	5722.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #231	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5732.4	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #232	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5736.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #233	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5781.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #234	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O[Si](C)(C)C)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5707.0	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #235	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5707.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #236	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5684.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #237	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5663.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #238	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C3)C(O[Si](C)(C)C)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5657.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #239	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5710.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #24	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5722.0	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #240	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5722.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #241	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C3)C(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5720.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #242	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C3)C(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5710.4	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #243	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5764.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #244	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2	5749.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #245	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5714.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #246	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5702.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #247	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5757.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #248	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5751.4	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #249	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5746.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #25	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O	5734.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #250	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)O2	5701.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #251	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5667.4	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #252	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)O2	5668.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #253	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5621.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #254	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O)C(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)O2	5755.0	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #255	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	5747.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #256	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	5815.0	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #257	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5751.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #258	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5723.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #259	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5748.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #26	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5719.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #260	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5715.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #261	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5751.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #262	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2	5748.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #263	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5722.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #264	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2	5716.0	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #265	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2	5812.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #266	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O	5701.4	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #267	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O	5697.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #268	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O)C4)C2O)=CC(O)=C1O	5714.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #269	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C4)C2O)=CC(O)=C1O	5714.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #27	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5720.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #270	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O	5678.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #271	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C	5678.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #272	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5756.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #273	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)C2O)=CC(O[Si](C)(C)C)=C1O	5689.4	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #274	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O[Si](C)(C)C	5689.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #275	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5778.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #276	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O	5769.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #277	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O[Si](C)(C)C)=C1O	5751.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #278	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C4)C2O)=CC(O[Si](C)(C)C)=C1O	5761.0	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #279	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O[Si](C)(C)C)=C1O	5742.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #28	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5722.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #280	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O[Si](C)(C)C	5746.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #281	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C4)C2O)=CC(O)=C1O	5785.4	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #282	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O)C4)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5794.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #283	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5775.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #29	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O	5780.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #3	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O)=C1O	5754.4	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	5757.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #31	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O[Si](C)(C)C)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5763.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #32	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O	5726.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #33	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O[Si](C)(C)C)C=C(O)C3=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5727.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #34	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O[Si](C)(C)C)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C3)C(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5721.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #35	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O)=C1O	5740.0	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #36	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O[Si](C)(C)C)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C3)C(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5733.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #37	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5775.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #38	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5768.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #39	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5759.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #4	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)C2=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5724.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #40	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2	5777.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #41	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2	5763.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #42	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O	5732.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #43	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O)=C1O	5743.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #44	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O[Si](C)(C)C)=CC(O)=C1O	5731.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #45	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O[Si](C)(C)C)=C1O	5780.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #46	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O)=C1O[Si](C)(C)C	5765.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #47	C[Si](C)(C)OC1=CC(O)=C2CC(O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)OC2=C1C1C2=C(O)C=C(O)C=C2OC(C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C1O[Si](C)(C)C	5714.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #48	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O	5733.4	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #49	C[Si](C)(C)OC1=CC(O)=C2CC(O[Si](C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1C1C2=C(O)C=C(O)C=C2OC(C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C1O	5715.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #5	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5725.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #50	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5718.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #51	C[Si](C)(C)OC1=CC(O)=C2CC(O[Si](C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1C1C2=C(O)C=C(O)C=C2OC(C2=CC(O)=C(O)C(O)=C2)C1O[Si](C)(C)C	5714.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #52	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O	5774.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #53	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C	5749.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #54	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5759.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #55	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5743.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #56	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C3)C(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5739.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #57	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C3)C(O)C(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)O2	5756.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #58	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C3)C(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5749.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #59	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O	5715.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #6	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O	5740.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #60	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O	5710.4	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #61	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5699.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #62	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O	5758.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #63	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O[Si](C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C	5735.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #64	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C3)C(O[Si](C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	5718.4	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #65	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O)=C1O	5720.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #66	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C3)C(O)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5703.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #67	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O[Si](C)(C)C)=CC(O)=C1O	5714.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #68	C[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C3)C(O[Si](C)(C)C)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5718.0	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #69	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O[Si](C)(C)C)=C1O	5764.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #7	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O[Si](C)(C)C)C(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)O2	5722.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #70	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O)=C1O[Si](C)(C)C	5751.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #71	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5808.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #72	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5793.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #73	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5755.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #74	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2	5775.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #75	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2	5760.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #76	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5755.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #77	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2	5765.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #78	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2	5740.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #79	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2	5754.6	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #8	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(C1=C(O)C=C(O[Si](C)(C)C)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	5769.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #80	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2	5755.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #81	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2	5816.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #82	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2	5794.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #83	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O	5764.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #84	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O	5752.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #85	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5713.2	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #86	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O)=C1O	5785.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #87	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O)=C1O	5770.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #88	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C4)C2O[Si](C)(C)C)=CC(O)=C1O	5739.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #89	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O[Si](C)(C)C)=C1O	5777.0	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #9	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O)=C1O	5745.9	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #90	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O)=C1O[Si](C)(C)C	5786.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #91	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5750.1	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #92	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5748.3	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #93	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5810.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #94	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O	5724.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #95	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O	5771.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #96	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C	5772.8	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #97	C[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C=C1O	5747.5	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #98	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5738.7	Semi standard non polar	33892256
Prodelphinidin B,4TMS,isomer #99	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5735.6	Semi standard non polar	33892256
Prodelphinidin B,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1CC2=C(O)C=C(O)C(C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)C3O)=C2OC1C1=CC(O)=C(O)C(O)=C1	6365.6	Semi standard non polar	33892256
Prodelphinidin B,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C=C1O	6391.5	Semi standard non polar	33892256
Prodelphinidin B,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	6348.4	Semi standard non polar	33892256
Prodelphinidin B,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(O)C(C3=CC(O)=C(O)C(O)=C3)OC2=C1C1C2=C(O)C=C(O)C=C2OC(C2=CC(O)=C(O)C(O)=C2)C1O	6352.3	Semi standard non polar	33892256
Prodelphinidin B,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(C2=CC(O)=C(O)C(O)=C2)OC2=CC(O)=CC(O)=C2C1C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	6373.4	Semi standard non polar	33892256
Prodelphinidin B,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	6366.7	Semi standard non polar	33892256
Prodelphinidin B,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	6362.8	Semi standard non polar	33892256
Prodelphinidin B,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O	6373.2	Semi standard non polar	33892256
Prodelphinidin B,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)C=C1O	6404.4	Semi standard non polar	33892256
Prodelphinidin B,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O	6360.3	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O[Si](C)(C)C(C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	6511.0	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	6504.9	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	6520.1	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	6529.5	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O	6528.4	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	6546.0	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C2=C1CC(O)C(C1=CC(O)=C(O)C(O)=C1)O2	6500.0	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O	6516.4	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)O2	6546.5	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	6537.1	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	6530.1	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(O[Si](C)(C)C(C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)OC2=C1C1C2=C(O)C=C(O)C=C2OC(C2=CC(O)=C(O)C(O)=C2)C1O	6511.3	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O	6533.1	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(O)C(C3=CC(O)=C(O)C(O)=C3)OC2=C1C1C2=C(O)C=C(O)C=C2OC(C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C1O	6552.0	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(O)C(C3=CC(O)=C(O)C(O)=C3)OC2=C1C1C2=C(O)C=C(O)C=C2OC(C2=CC(O)=C(O)C(O)=C2)C1O[Si](C)(C)C(C)(C)C	6502.3	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O	6523.3	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(O)C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C1C1C2=C(O)C=C(O)C=C2OC(C2=CC(O)=C(O)C(O)=C2)C1O	6553.0	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O	6518.4	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C(C)(C)C)C=C1O	6546.8	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C(C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	6520.9	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O[Si](C)(C)C(C)(C)C)C(C1=CC(O)=C(O)C(O)=C1)O2	6523.8	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O	6505.7	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C(C)(C)C)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	6527.6	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C=C1O	6538.5	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	6520.1	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	6540.3	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2	6568.7	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C2	6538.6	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(O)C2	6569.7	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O	6522.6	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O)C(O)=C1)O2	6554.8	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O	6531.6	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(C1=C(O)C=C(O)C3=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O)C3)C(O)C(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)O2	6553.3	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC(O)=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C(C)(C)C)C2	6530.0	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C2O)=CC(O)=C1O	6519.7	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O	6566.7	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	6537.4	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O)C4)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	6526.9	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O)=CC(O)=C1O	6557.4	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O)C=C1O	6590.8	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	6526.6	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	6516.3	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C4)C2O)=CC(O)=C1O	6524.5	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2OC3=CC(O)=CC(O)=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C4)C2O)C=C1O	6557.4	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1CC2=C(O)C=C(O)C(C3C4=C(O)C=C(O)C=C4OC(C4=CC(O)=C(O)C(O)=C4)C3O[Si](C)(C)C(C)(C)C)=C2OC1C1=CC(O)=C(O)C(O)=C1	6496.6	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C(C)(C)C)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O	6515.4	Semi standard non polar	33892256
Prodelphinidin B,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2OC3=C(CC2O[Si](C)(C)C(C)(C)C)C(O)=CC(O)=C3C2C3=C(O)C=C(O)C=C3OC(C3=CC(O)=C(O)C(O)=C3)C2O)C=C1O	6546.1	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-0502690000-5c66ab623c037d30559d	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (1 TMS) - 70eV, Positive	splash10-00bi-9301024000-c11ca3ba178311693006	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prodelphinidin B GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin B 10V, Positive-QTOF	splash10-01ox-0100935000-8b3742a23988cc536aa5	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin B 20V, Positive-QTOF	splash10-0a4l-0344910000-9d5277ce428c245a5008	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin B 40V, Positive-QTOF	splash10-052o-0691210000-cacfb5bfc6d79d780bec	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin B 10V, Negative-QTOF	splash10-0a4i-0000229000-dadebeb297652a79aa77	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin B 20V, Negative-QTOF	splash10-0pvl-0902421000-1973080695f7d59a7e54	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin B 40V, Negative-QTOF	splash10-004i-0901000000-7467d2b4143b6e14a27a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin B 10V, Positive-QTOF	splash10-03di-0001119000-a2ff0aeb75c2837a2874	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin B 20V, Positive-QTOF	splash10-03di-0401429000-55a7cbcbf7f816899e91	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin B 40V, Positive-QTOF	splash10-00m0-0902120000-89c5cf929560ffa59575	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin B 10V, Negative-QTOF	splash10-0a4i-0000009000-d8905efb2e958f3584ce	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin B 20V, Negative-QTOF	splash10-0aou-0100987000-5560d767979328f7d97a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prodelphinidin B 40V, Negative-QTOF	splash10-00ko-1200390000-313c409e245bb1d43b39	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5089687

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Prodelphinidin B (HMDB0037652)

MOL for HMDB0037652 (Prodelphinidin B)

3D MOL for HMDB0037652 (Prodelphinidin B)

3D SDF for HMDB0037652 (Prodelphinidin B)

3D-SDF for HMDB0037652 (Prodelphinidin B)

PDB for HMDB0037652 (Prodelphinidin B)

3D PDB for HMDB0037652 (Prodelphinidin B)

SMILES for HMDB0037652 (Prodelphinidin B)

INCHI for HMDB0037652 (Prodelphinidin B)

Structure for HMDB0037652 (Prodelphinidin B)

3D Structure for HMDB0037652 (Prodelphinidin B)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra