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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 02:15:03 UTC

Update Date

2022-03-07 02:56:41 UTC

HMDB ID

HMDB0040678

Secondary Accession Numbers

HMDB40678

Metabolite Identification

Common Name

Epicatechin-(2beta->5,4beta->6)-ent-epicatechin

Description

Epicatechin-(2beta->5,4beta->6)-ent-epicatechin 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''. Epicatechin-(2beta->5,4beta->6)-ent-epicatechin has been detected, but not quantified in, cocoa and cocoa products and cocoa beans (Theobroma cacao). This could make epicatechin-(2beta->5,4beta->6)-ent-epicatechin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Epicatechin-(2beta->5,4beta->6)-ent-epicatechin.

Structure

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

  Mrv0541 02241211442D          

 42 48  0  0  0  0            999 V2000
   -2.2980    3.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5314    4.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END

HMDB0040678
     RDKit          3D
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin
 66 72  0  0  0  0  0  0  0  0999 V2000
   -5.1396   -4.6122   -2.4067 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

  Mrv0541 02241211442D          

 42 48  0  0  0  0            999 V2000
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   -2.0684   -3.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2209   -3.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9876   -4.2131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 12 13  2  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 41  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  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
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 32  2  0  0  0  0
 24 25  1  0  0  0  0
 24 35  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 38  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 37  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0040678

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1CC2=C3OC4(OC5=C(C(C4O)C3=C(O)C=C2OC1C1=CC(O)=C(O)C=C1)C(O)=CC(O)=C5)C1=CC=C(O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H24O12/c31-13-7-19(36)24-23(8-13)41-30(12-2-4-16(33)18(35)6-12)29(39)26(24)25-20(37)10-22-14(28(25)42-30)9-21(38)27(40-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26-27,29,31-39H,9H2

> <INCHI_KEY>
SHYPVJZSIOEHJY-UHFFFAOYSA-N

> <FORMULA>
C30H24O12

> <MOLECULAR_WEIGHT>
576.5044

> <EXACT_MASS>
576.126776232

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
57.15713488270797

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7,13-bis(3,4-dihydroxyphenyl)-6,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]henicosa-2,4,10,15(20),16,18-hexaene-3,8,17,19,21-pentol

> <ALOGPS_LOGP>
2.44

> <JCHEM_LOGP>
3.590532096666666

> <ALOGPS_LOGS>
-3.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.13068921332768

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.68057112954978

> <JCHEM_PKA_STRONGEST_BASIC>
-3.876602731730462

> <JCHEM_POLAR_SURFACE_AREA>
209.75999999999996

> <JCHEM_REFRACTIVITY>
144.1963

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.26e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7,13-bis(3,4-dihydroxyphenyl)-6,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]henicosa-2,4,10,15(20),16,18-hexaene-3,8,17,19,21-pentol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0040678
     RDKit          3D
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin
 66 72  0  0  0  0  0  0  0  0999 V2000
   -5.1396   -4.6122   -2.4067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4588   -3.8882   -1.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8054   -4.4737   -0.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1309   -3.7040    0.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5226   -4.4368    1.5610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0883   -2.3145    0.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7734   -1.7721   -0.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4388   -2.5203   -1.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8236   -0.3875   -0.7516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8942    0.3460    0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0392    1.7884   -0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6699    2.5711    0.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7942    3.9178    0.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3045    4.5045   -0.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241    5.8750   -0.7455 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6740    3.7543   -1.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1649    4.3139   -2.6605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5408    2.3989   -1.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5953   -0.0481   -0.4793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6055   -0.4167    0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7075   -0.0505    0.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6615   -0.4121    1.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2396   -1.1817    2.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1098   -1.5778    2.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3943   -2.3339    3.5756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0242   -1.1938    1.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4538   -1.5172    1.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1016   -0.0844    1.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3686    0.7057    2.3310 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -0.0104    1.1424 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3995    0.6619   -0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8298    0.4324   -0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4724   -0.7672    0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8133   -0.9561   -0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6040    0.0262   -0.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9936   -0.1979   -0.8280 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0209    1.2124   -0.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8091    2.2181   -1.5250 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6447    1.4152   -0.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5133    0.3195   -1.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5146   -1.0093   -1.5440 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1026    0.7795   -0.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1252   -4.7864   -2.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7987   -5.5719   -0.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0085   -4.0395    2.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9627   -2.0390   -2.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0574    2.0700    1.6952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2763    4.5111    1.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8620    6.5101   -0.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2095    5.2711   -2.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0587    1.7484   -2.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9861   -1.4740    3.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2880   -2.6438    3.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7211   -1.8731    2.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1433   -0.2305    1.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8593    0.1309    2.9459 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1910    1.7575    0.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8223   -1.5136    0.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2815   -1.8883    0.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -1.0903   -0.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4441    3.1257   -1.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2322    2.3645   -1.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8048    0.9419   -2.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6101   -1.1729   -2.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4530    0.6923   -1.6652 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1844    1.8251   -0.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 10 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 22 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 37 39  2  0
 31 40  1  0
 40 41  1  0
 40 42  1  0
  8  2  1  0
 28 10  1  0
 39 32  1  0
 27  6  1  0
 18 11  1  0
 26 20  1  0
 42 21  1  0
  1 43  1  0
  3 44  1  0
  5 45  1  0
  8 46  1  0
 12 47  1  0
 13 48  1  0
 15 49  1  0
 17 50  1  0
 18 51  1  0
 23 52  1  0
 25 53  1  0
 27 54  1  0
 28 55  1  0
 29 56  1  0
 31 57  1  0
 33 58  1  0
 34 59  1  0
 36 60  1  0
 38 61  1  0
 39 62  1  0
 40 63  1  0
 41 64  1  0
 42 65  1  0
 42 66  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -4.290   7.436   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.859   8.151   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.573   7.436   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.573   6.006   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.003   5.148   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.290   5.862   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -5.577   5.148   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.859   5.148   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.431   5.291   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.290   4.147   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       5.719   4.290   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -1.288  -6.149   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.573  -7.722   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.003  -8.293   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -3.145  -9.724   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -0.429   5.005   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       4.576   1.430   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       3.717   2.717   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.288   2.431   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.287   3.718   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -0.143   3.432   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -0.287   1.716   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -1.715   1.001   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -3.145   1.858   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -3.145   3.574   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.573   3.718   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -1.715   2.431   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -2.859   9.724   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       0.286  -3.860   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -0.858  -3.002   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -0.715  -1.572   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -1.858  -0.571   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -3.145  -1.286   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -4.432  -0.429   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -4.432   1.144   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -5.719   1.858   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -3.431  -2.717   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      -2.288  -3.718   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -2.430  -5.148   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -3.861  -5.720   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -4.146  -7.292   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      -5.577  -7.864   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   28                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   16                                                  
CONECT    5    4    6   25                                                  
CONECT    6    1    5    7                                                  
CONECT    7    6                                                            
CONECT    8    9   20                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   18                                                  
CONECT   11   10                                                            
CONECT   12   13   39                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   41                                                  
CONECT   15   14                                                            
CONECT   16    4   21                                                       
CONECT   17   18                                                            
CONECT   18   10   17   19                                                  
CONECT   19   18   20                                                       
CONECT   20    8   19   21                                                  
CONECT   21   16   20   22   26                                             
CONECT   22   21   23                                                       
CONECT   23   22   24   32                                                  
CONECT   24   23   25   35                                                  
CONECT   25    5   24   26                                                  
CONECT   26   21   25   27                                                  
CONECT   27   26                                                            
CONECT   28    2                                                            
CONECT   29   30                                                            
CONECT   30   29   31   38                                                  
CONECT   31   30   32                                                       
CONECT   32   23   31   33                                                  
CONECT   33   32   34   37                                                  
CONECT   34   33   35                                                       
CONECT   35   24   34   36                                                  
CONECT   36   35                                                            
CONECT   37   33   38                                                       
CONECT   38   30   37   39                                                  
CONECT   39   12   38   40                                                  
CONECT   40   39   41                                                       
CONECT   41   14   40   42                                                  
CONECT   42   41                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   96    0
END

COMPND    HMDB0040678
HETATM    1  O1  UNL     1      -5.140  -4.612  -2.407  1.00  0.00           O  
HETATM    2  C1  UNL     1      -4.459  -3.888  -1.426  1.00  0.00           C  
HETATM    3  C2  UNL     1      -3.805  -4.474  -0.384  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.131  -3.704   0.578  1.00  0.00           C  
HETATM    5  O2  UNL     1      -2.523  -4.437   1.561  1.00  0.00           O  
HETATM    6  C4  UNL     1      -3.088  -2.314   0.526  1.00  0.00           C  
HETATM    7  C5  UNL     1      -3.773  -1.772  -0.564  1.00  0.00           C  
HETATM    8  C6  UNL     1      -4.439  -2.520  -1.515  1.00  0.00           C  
HETATM    9  O3  UNL     1      -3.824  -0.388  -0.752  1.00  0.00           O  
HETATM   10  C7  UNL     1      -2.894   0.346   0.026  1.00  0.00           C  
HETATM   11  C8  UNL     1      -3.039   1.788  -0.156  1.00  0.00           C  
HETATM   12  C9  UNL     1      -3.670   2.571   0.806  1.00  0.00           C  
HETATM   13  C10 UNL     1      -3.794   3.918   0.603  1.00  0.00           C  
HETATM   14  C11 UNL     1      -3.305   4.505  -0.529  1.00  0.00           C  
HETATM   15  O4  UNL     1      -3.424   5.875  -0.745  1.00  0.00           O  
HETATM   16  C12 UNL     1      -2.674   3.754  -1.500  1.00  0.00           C  
HETATM   17  O5  UNL     1      -2.165   4.314  -2.660  1.00  0.00           O  
HETATM   18  C13 UNL     1      -2.541   2.399  -1.314  1.00  0.00           C  
HETATM   19  O6  UNL     1      -1.595  -0.048  -0.479  1.00  0.00           O  
HETATM   20  C14 UNL     1      -0.606  -0.417   0.450  1.00  0.00           C  
HETATM   21  C15 UNL     1       0.708  -0.050   0.355  1.00  0.00           C  
HETATM   22  C16 UNL     1       1.662  -0.412   1.280  1.00  0.00           C  
HETATM   23  C17 UNL     1       1.240  -1.182   2.339  1.00  0.00           C  
HETATM   24  C18 UNL     1      -0.110  -1.578   2.465  1.00  0.00           C  
HETATM   25  O7  UNL     1      -0.394  -2.334   3.576  1.00  0.00           O  
HETATM   26  C19 UNL     1      -1.024  -1.194   1.520  1.00  0.00           C  
HETATM   27  C20 UNL     1      -2.454  -1.517   1.577  1.00  0.00           C  
HETATM   28  C21 UNL     1      -3.102  -0.084   1.448  1.00  0.00           C  
HETATM   29  O8  UNL     1      -2.369   0.706   2.331  1.00  0.00           O  
HETATM   30  O9  UNL     1       2.979  -0.010   1.142  1.00  0.00           O  
HETATM   31  C22 UNL     1       3.400   0.662  -0.032  1.00  0.00           C  
HETATM   32  C23 UNL     1       4.830   0.432  -0.230  1.00  0.00           C  
HETATM   33  C24 UNL     1       5.472  -0.767   0.098  1.00  0.00           C  
HETATM   34  C25 UNL     1       6.813  -0.956  -0.097  1.00  0.00           C  
HETATM   35  C26 UNL     1       7.604   0.026  -0.633  1.00  0.00           C  
HETATM   36  O10 UNL     1       8.994  -0.198  -0.828  1.00  0.00           O  
HETATM   37  C27 UNL     1       7.021   1.212  -0.974  1.00  0.00           C  
HETATM   38  O11 UNL     1       7.809   2.218  -1.525  1.00  0.00           O  
HETATM   39  C28 UNL     1       5.645   1.415  -0.772  1.00  0.00           C  
HETATM   40  C29 UNL     1       2.513   0.320  -1.201  1.00  0.00           C  
HETATM   41  O12 UNL     1       2.515  -1.009  -1.544  1.00  0.00           O  
HETATM   42  C30 UNL     1       1.103   0.780  -0.807  1.00  0.00           C  
HETATM   43  H1  UNL     1      -6.125  -4.786  -2.204  1.00  0.00           H  
HETATM   44  H2  UNL     1      -3.799  -5.572  -0.283  1.00  0.00           H  
HETATM   45  H3  UNL     1      -2.009  -4.040   2.294  1.00  0.00           H  
HETATM   46  H4  UNL     1      -4.963  -2.039  -2.357  1.00  0.00           H  
HETATM   47  H5  UNL     1      -4.057   2.070   1.695  1.00  0.00           H  
HETATM   48  H6  UNL     1      -4.276   4.511   1.356  1.00  0.00           H  
HETATM   49  H7  UNL     1      -3.862   6.510  -0.121  1.00  0.00           H  
HETATM   50  H8  UNL     1      -2.210   5.271  -2.907  1.00  0.00           H  
HETATM   51  H9  UNL     1      -2.059   1.748  -2.029  1.00  0.00           H  
HETATM   52  H10 UNL     1       1.986  -1.474   3.070  1.00  0.00           H  
HETATM   53  H11 UNL     1      -1.288  -2.644   3.859  1.00  0.00           H  
HETATM   54  H12 UNL     1      -2.721  -1.873   2.606  1.00  0.00           H  
HETATM   55  H13 UNL     1      -4.143  -0.230   1.707  1.00  0.00           H  
HETATM   56  H14 UNL     1      -1.859   0.131   2.946  1.00  0.00           H  
HETATM   57  H15 UNL     1       3.191   1.757   0.174  1.00  0.00           H  
HETATM   58  H16 UNL     1       4.822  -1.514   0.515  1.00  0.00           H  
HETATM   59  H17 UNL     1       7.282  -1.888   0.172  1.00  0.00           H  
HETATM   60  H18 UNL     1       9.396  -1.090  -0.551  1.00  0.00           H  
HETATM   61  H19 UNL     1       7.444   3.126  -1.808  1.00  0.00           H  
HETATM   62  H20 UNL     1       5.232   2.365  -1.056  1.00  0.00           H  
HETATM   63  H21 UNL     1       2.805   0.942  -2.067  1.00  0.00           H  
HETATM   64  H22 UNL     1       2.610  -1.173  -2.516  1.00  0.00           H  
HETATM   65  H23 UNL     1       0.453   0.692  -1.665  1.00  0.00           H  
HETATM   66  H24 UNL     1       1.184   1.825  -0.438  1.00  0.00           H  
CONECT    1    2   43
CONECT    2    3    3    8
CONECT    3    4   44
CONECT    4    5    6    6
CONECT    5   45
CONECT    6    7   27
CONECT    7    8    8    9
CONECT    8   46
CONECT    9   10
CONECT   10   11   19   28
CONECT   11   12   12   18
CONECT   12   13   47
CONECT   13   14   14   48
CONECT   14   15   16
CONECT   15   49
CONECT   16   17   18   18
CONECT   17   50
CONECT   18   51
CONECT   19   20
CONECT   20   21   21   26
CONECT   21   22   42
CONECT   22   23   23   30
CONECT   23   24   52
CONECT   24   25   26   26
CONECT   25   53
CONECT   26   27
CONECT   27   28   54
CONECT   28   29   55
CONECT   29   56
CONECT   30   31
CONECT   31   32   40   57
CONECT   32   33   33   39
CONECT   33   34   58
CONECT   34   35   35   59
CONECT   35   36   37
CONECT   36   60
CONECT   37   38   39   39
CONECT   38   61
CONECT   39   62
CONECT   40   41   42   63
CONECT   41   64
CONECT   42   65   66
END

HMDB0040678
     RDKit          3D
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin
 66 72  0  0  0  0  0  0  0  0999 V2000
   -5.1396   -4.6122   -2.4067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4588   -3.8882   -1.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8054   -4.4737   -0.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1309   -3.7040    0.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5226   -4.4368    1.5610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0883   -2.3145    0.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7734   -1.7721   -0.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4388   -2.5203   -1.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8236   -0.3875   -0.7516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8942    0.3460    0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0392    1.7884   -0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6699    2.5711    0.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7942    3.9178    0.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3045    4.5045   -0.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241    5.8750   -0.7455 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6740    3.7543   -1.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1649    4.3139   -2.6605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5408    2.3989   -1.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5953   -0.0481   -0.4793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6055   -0.4167    0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7075   -0.0505    0.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6615   -0.4121    1.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2396   -1.1817    2.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1098   -1.5778    2.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3943   -2.3339    3.5756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0242   -1.1938    1.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4538   -1.5172    1.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1016   -0.0844    1.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3686    0.7057    2.3310 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -0.0104    1.1424 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3995    0.6619   -0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8298    0.4324   -0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4724   -0.7672    0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8133   -0.9561   -0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6040    0.0262   -0.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9936   -0.1979   -0.8280 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0209    1.2124   -0.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8091    2.2181   -1.5250 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6447    1.4152   -0.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5133    0.3195   -1.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5146   -1.0093   -1.5440 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1026    0.7795   -0.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1252   -4.7864   -2.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7987   -5.5719   -0.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0085   -4.0395    2.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9627   -2.0390   -2.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0574    2.0700    1.6952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2763    4.5111    1.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8620    6.5101   -0.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2095    5.2711   -2.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0587    1.7484   -2.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9861   -1.4740    3.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2880   -2.6438    3.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7211   -1.8731    2.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1433   -0.2305    1.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8593    0.1309    2.9459 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1910    1.7575    0.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8223   -1.5136    0.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2815   -1.8883    0.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -1.0903   -0.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4441    3.1257   -1.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2322    2.3645   -1.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8048    0.9419   -2.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6101   -1.1729   -2.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4530    0.6923   -1.6652 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1844    1.8251   -0.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 10 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 22 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 37 39  2  0
 31 40  1  0
 40 41  1  0
 40 42  1  0
  8  2  1  0
 28 10  1  0
 39 32  1  0
 27  6  1  0
 18 11  1  0
 26 20  1  0
 42 21  1  0
  1 43  1  0
  3 44  1  0
  5 45  1  0
  8 46  1  0
 12 47  1  0
 13 48  1  0
 15 49  1  0
 17 50  1  0
 18 51  1  0
 23 52  1  0
 25 53  1  0
 27 54  1  0
 28 55  1  0
 29 56  1  0
 31 57  1  0
 33 58  1  0
 34 59  1  0
 36 60  1  0
 38 61  1  0
 39 62  1  0
 40 63  1  0
 41 64  1  0
 42 65  1  0
 42 66  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Epicatechin-(2b->5,4b->6)-ent-epicatechin	Generator
Epicatechin-(2β->5,4β->6)-ent-epicatechin	Generator
Epicatechin-(2b->5,4b->6)ent-epicatechin	HMDB

Chemical Formula

C₃₀H₂₄O₁₂

Average Molecular Weight

576.5044

Monoisotopic Molecular Weight

576.126776232

IUPAC Name

7,13-bis(3,4-dihydroxyphenyl)-6,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]henicosa-2,4,10,15(20),16,18-hexaene-3,8,17,19,21-pentol

Traditional Name

7,13-bis(3,4-dihydroxyphenyl)-6,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]henicosa-2,4,10,15(20),16,18-hexaene-3,8,17,19,21-pentol

CAS Registry Number

135095-75-9

SMILES

OC1CC2=C3OC4(OC5=C(C(C4O)C3=C(O)C=C2OC1C1=CC(O)=C(O)C=C1)C(O)=CC(O)=C5)C1=CC=C(O)C(O)=C1

InChI Identifier

InChI=1S/C30H24O12/c31-13-7-19(36)24-23(8-13)41-30(12-2-4-16(33)18(35)6-12)29(39)26(24)25-20(37)10-22-14(28(25)42-30)9-21(38)27(40-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26-27,29,31-39H,9H2

InChI Key

SHYPVJZSIOEHJY-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

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0040678)
Cytoplasm (HMDB: HMDB0040678)

Source

Exogenous

Exogenous (HMDB: HMDB0040678)

Food

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Cocoa and cocoa products (FooDB: FOOD00860)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.13 g/L	ALOGPS
logP	2.44	ALOGPS
logP	3.59	ChemAxon
logS	-3.7	ALOGPS
pKa (Strongest Acidic)	8.68	ChemAxon
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	209.76 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	144.2 m³·mol⁻¹	ChemAxon
Polarizability	57.16 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	229.721	31661259
DarkChem	[M-H]-	220.784	31661259
DeepCCS	[M+H]+	225.166	30932474
DeepCCS	[M-H]-	223.295	30932474
DeepCCS	[M-2H]-	256.535	30932474
DeepCCS	[M+Na]+	230.772	30932474
AllCCS	[M+H]+	235.7	32859911
AllCCS	[M+H-H2O]+	234.1	32859911
AllCCS	[M+NH4]+	237.2	32859911
AllCCS	[M+Na]+	237.6	32859911
AllCCS	[M-H]-	229.4	32859911
AllCCS	[M+Na-2H]-	230.8	32859911
AllCCS	[M+HCOO]-	232.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin	OC1CC2=C3OC4(OC5=C(C(C4O)C3=C(O)C=C2OC1C1=CC(O)=C(O)C=C1)C(O)=CC(O)=C5)C1=CC=C(O)C(O)=C1	6916.8	Standard polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin	OC1CC2=C3OC4(OC5=C(C(C4O)C3=C(O)C=C2OC1C1=CC(O)=C(O)C=C1)C(O)=CC(O)=C5)C1=CC=C(O)C(O)=C1	5275.0	Standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin	OC1CC2=C3OC4(OC5=C(C(C4O)C3=C(O)C=C2OC1C1=CC(O)=C(O)C=C1)C(O)=CC(O)=C5)C1=CC=C(O)C(O)=C1	5886.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,1TMS,isomer #1	C[Si](C)(C)OC1CC2=C(C=C(O)C3=C2OC2(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3C2O)OC1C1=CC=C(O)C(O)=C1	5622.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,1TMS,isomer #2	C[Si](C)(C)OC1C2C3=C(O)C=C(O)C=C3OC1(C1=CC=C(O)C(O)=C1)OC1=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=CC(O)=C12	5617.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,1TMS,isomer #3	C[Si](C)(C)OC1=CC2=C(CC(O)C(C3=CC=C(O)C(O)=C3)O2)C2=C1C1C3=C(O)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	5630.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,1TMS,isomer #4	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)=CC=C1O	5683.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,1TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O	5707.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,1TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	5636.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,1TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O)=C5)OC4=CC(O)=C3C2C1O	5674.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,1TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O)C=C1O	5694.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,1TMS,isomer #9	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O)=CC=C1O	5690.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(CC(O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)O2)C2=C1C1C3=C(O)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	5482.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O)=C5)OC4=CC(O)=C3C2C1O[Si](C)(C)C	5498.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #11	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O[Si](C)(C)C)C=C1O	5510.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #12	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O[Si](C)(C)C)=CC=C1O	5503.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #13	C[Si](C)(C)OC1=CC2=C(CC(O)C(C3=CC=C(O)C(O)=C3)O2)C2=C1C1C3=C(O)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5478.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C)C=C1O	5516.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #15	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C)=CC=C1O	5488.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #16	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	5477.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O)=C5)OC4=CC(O[Si](C)(C)C)=C3C2C1O	5504.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O)C=C1O	5517.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #19	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O)=CC=C1O	5514.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O)C=C1O	5538.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O	5528.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #21	C[Si](C)(C)OC1=CC(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)=CC=C1O	5501.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #22	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O[Si](C)(C)C)=C6)C(O)CC5=C4O2)C3O)C=C1O	5560.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #23	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O)=CC=C1O	5558.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #24	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=CC(O)=C3C2C1O	5550.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #25	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O)=CC=C1O	5511.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #26	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O[Si](C)(C)C	5543.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #27	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O	5591.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #28	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O	5588.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #29	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=CC(O)=C3C2C1O	5578.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #3	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O)=CC=C1O	5528.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #30	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O)C=C1O	5538.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #31	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	5507.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #32	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O)C=C1O	5527.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #33	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O)=CC=C1O	5525.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #34	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O)=C5)OC4=CC(O)=C3C2C1O	5570.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #35	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O)=C5)OC4=CC(O)=C3C2C1O	5567.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #36	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O)C=C1O[Si](C)(C)C	5539.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O[Si](C)(C)C)C(C5=CC=C(O)C(O)=C5)OC4=CC(O)=C3C2C1O	5525.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #5	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	5486.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #6	C[Si](C)(C)OC1CC2=C(C=C(O)C3=C2OC2(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3C2O[Si](C)(C)C)OC1C1=CC=C(O)C(O)=C1	5462.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O	5547.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #8	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)=CC=C1O	5531.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5487.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #1	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	5335.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O	5442.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #11	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O[Si](C)(C)C)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O)C=C1O	5418.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O[Si](C)(C)C)C=C1O	5360.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #13	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O)C=C1O[Si](C)(C)C	5440.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C4CC(O[Si](C)(C)C)C(C5=CC=C(O)C(O)=C5)OC4=CC(O)=C3C2C1O	5415.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #15	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O)=CC=C1O	5362.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O	5435.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #17	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O)=CC=C1O	5413.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #18	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O[Si](C)(C)C)=CC=C1O	5360.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #19	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	5361.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O[Si](C)(C)C)C(C5=CC=C(O)C(O)=C5)OC4=CC(O[Si](C)(C)C)=C3C2C1O	5362.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O[Si](C)(C)C)C(C5=CC=C(O)C(O)=C5)OC4=CC(O)=C3C2C1O[Si](C)(C)C	5347.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O[Si](C)(C)C)C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=CC(O)=C3C2C1O	5424.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O[Si](C)(C)C)C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=CC(O)=C3C2C1O	5403.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #23	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5348.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #24	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O)C=C1O	5371.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #25	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O)=CC=C1O	5355.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #26	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C)C=C1O	5364.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #27	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C)=CC=C1O	5348.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #28	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O[Si](C)(C)C	5442.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #29	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5346.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O)C(O)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O)C=C1O	5368.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5344.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #31	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O[Si](C)(C)C)C=C1O	5348.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #32	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O[Si](C)(C)C)=CC=C1O	5345.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O[Si](C)(C)C)C=C1O	5357.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #34	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O[Si](C)(C)C)=CC=C1O	5325.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #35	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O)=C5)OC4=CC(O)=C3C2C1O[Si](C)(C)C	5343.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #36	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O)=C5)OC4=CC(O)=C3C2C1O[Si](C)(C)C	5343.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #37	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O)=C5)OC4=CC(O[Si](C)(C)C)=C3C2C1O[Si](C)(C)C	5349.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #38	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=CC(O)=C3C2C1O[Si](C)(C)C	5353.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #39	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=CC(O)=C3C2C1O[Si](C)(C)C	5324.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #4	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O)C(O)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O)=CC=C1O	5362.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #40	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O[Si](C)(C)C)C=C1O	5340.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #41	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C)C=C1O	5335.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #42	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O[Si](C)(C)C)=C6)C(O)CC5=C4O2)C3O[Si](C)(C)C)C=C1O	5299.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #43	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O[Si](C)(C)C)C=C1O[Si](C)(C)C	5382.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #44	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O[Si](C)(C)C)=CC=C1O	5338.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #45	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C)C=C1O	5334.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #46	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C)=CC=C1O	5300.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #47	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C)C=C1O	5349.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #48	C[Si](C)(C)OC1=CC(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C)=CC=C1O	5319.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #49	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5378.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #5	C[Si](C)(C)OC1=CC2=C(CC(O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)O2)C2=C1C1C3=C(O)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5339.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #50	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	5317.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #51	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O)C=C1O	5309.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #52	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O)=CC=C1O	5306.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #53	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O)C=C1O	5321.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #54	C[Si](C)(C)OC1=CC(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O)=CC=C1O	5291.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #55	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O)=C5)OC4=CC(O[Si](C)(C)C)=C3C2C1O	5339.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #56	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O)=C5)OC4=CC(O[Si](C)(C)C)=C3C2C1O	5336.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #57	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=CC(O[Si](C)(C)C)=C3C2C1O	5346.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #58	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=CC(O[Si](C)(C)C)=C3C2C1O	5316.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #59	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O	5331.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O	5372.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #60	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O)C(O[Si](C)(C)C)=C6)C(O)CC5=C4O2)C3O)C=C1O	5293.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #61	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O)C=C1O[Si](C)(C)C	5390.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #62	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O	5322.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #63	C[Si](C)(C)OC1=CC(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O)=CC=C1O	5289.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #64	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O[Si](C)(C)C	5387.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #65	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=CC(O)=C3C2C1O	5363.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #66	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O[Si](C)(C)C)=C6)C(O)CC5=C4O2)C3O)C=C1O	5300.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #67	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C6)C(O)CC5=C4O2)C3O)C=C1O	5415.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #68	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O)=CC=C1O	5400.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #69	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=CC(O)=C3C2C1O	5357.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #7	C[Si](C)(C)OC1=CC(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)=CC=C1O	5355.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #70	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O)=CC=C1O	5298.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #71	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C6)C(O)CC5=C4O2)C3O)=CC=C1O	5408.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #72	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	5317.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #73	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)OC4=CC(O)=C3C2C1O	5429.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #74	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O)C=C1O[Si](C)(C)C	5388.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #75	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O	5433.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #76	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=CC(O)=C3C2C1O	5394.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #77	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O)C=C1O	5339.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #78	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C4CC(O)C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=CC(O)=C3C2C1O	5388.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #79	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O)C=C1O	5332.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #8	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C4CC(O[Si](C)(C)C)C(C5=CC=C(O)C(O)=C5)OC4=CC(O)=C3C2C1O	5419.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #80	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	5346.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #81	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O	5338.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #82	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)(O2)C1O	5337.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #83	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O)C=C1O[Si](C)(C)C	5391.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #84	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O)=C5)OC4=CC(O)=C3C2C1O	5434.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,3TMS,isomer #9	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O)C=C1O	5369.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	5182.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O[Si](C)(C)C)C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=CC(O[Si](C)(C)C)=C3C2C1O	5187.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #100	C[Si](C)(C)OC1=CC(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O)=CC=C1O	5082.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #101	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O)C=C1O[Si](C)(C)C	5202.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #102	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O)=C5)OC4=CC(O[Si](C)(C)C)=C3C2C1O	5233.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #103	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=CC(O[Si](C)(C)C)=C3C2C1O	5150.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #104	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=CC(O[Si](C)(C)C)=C3C2C1O	5124.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #105	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C4CC(O)C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=CC(O[Si](C)(C)C)=C3C2C1O	5140.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #106	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=CC(O[Si](C)(C)C)=C3C2C1O	5113.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #107	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)OC4=CC(O[Si](C)(C)C)=C3C2C1O	5228.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #108	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O	5205.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #109	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C6)C(O)CC5=C4O2)C3O)C=C1O	5183.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O[Si](C)(C)C)C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=CC(O[Si](C)(C)C)=C3C2C1O	5171.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #110	C[Si](C)(C)OC1=CC(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O)=CC=C1O	5174.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #111	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C6)C(O)CC5=C4O2)C3O)=CC=C1O	5177.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #112	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)CC4=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O	5127.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #113	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=CC(O)=C3C2C1O	5246.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #114	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)OC4=CC(O)=C3C2C1O	5257.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #115	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O)C=C5OC(C6=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C6)C(O)CC5=C4O2)C3O)C=C1O	5188.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #116	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O)=CC=C1O	5176.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #117	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O[Si](C)(C)C	5309.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #118	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)(O2)C1O	5119.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #119	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C4CC(O)C(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)OC4=CC(O)=C3C2C1O	5249.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O	5155.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #120	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O)C=C5OC(C6=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C6)C(O)CC5=C4O2)C3O)=CC=C1O	5178.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #121	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	5226.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #122	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=C4CC(O)C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=CC(O)=C3C2C1O	5274.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #123	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O)C=C1O	5207.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #124	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O	5151.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #125	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)(O2)C1O	5146.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #126	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(O2)C1O	5230.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #13	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O)C(O[Si](C)(C)C)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O)C=C1O	5130.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O)C(O)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O[Si](C)(C)C)C=C1O	5196.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #15	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O)C(O)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O)C=C1O[Si](C)(C)C	5264.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O	5146.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #17	C[Si](C)(C)OC1=CC(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O)=CC=C1O	5124.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #18	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O)C(O)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O[Si](C)(C)C)=CC=C1O	5194.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #19	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C)C=C1O	5201.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O)C(O)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O)C=C1O	5151.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #20	C[Si](C)(C)OC1=CC(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C)=CC=C1O	5186.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #21	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O[Si](C)(C)C	5271.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #22	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O	5179.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #23	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=C4CC(O[Si](C)(C)C)C(C5=CC=C(O)C(O)=C5)OC4=CC(O)=C3C2C1O	5311.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #24	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C4CC(O[Si](C)(C)C)C(C5=CC=C(O)C(O)=C5)OC4=CC(O)=C3C2C1O[Si](C)(C)C	5196.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C4CC(O[Si](C)(C)C)C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=CC(O)=C3C2C1O	5222.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #26	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C4CC(O[Si](C)(C)C)C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=CC(O)=C3C2C1O	5202.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #27	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O)C=C1O	5154.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #28	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O[Si](C)(C)C)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O)C=C1O	5127.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #29	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O[Si](C)(C)C)C=C1O	5201.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #3	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O)C(O)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O)=CC=C1O	5146.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #30	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O)C=C1O[Si](C)(C)C	5259.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #31	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O	5294.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #32	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C)C=C1O	5165.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O)C=C1O	5285.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #34	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O[Si](C)(C)C)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O[Si](C)(C)C)C=C1O	5146.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #35	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O)=CC=C1O	5278.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #36	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O[Si](C)(C)C)C=C1O[Si](C)(C)C	5262.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #37	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)(O2)C1O	5177.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #38	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C4CC(O[Si](C)(C)C)C(C5=CC=C(O)C(O)=C5)OC4=CC(O)=C3C2C1O[Si](C)(C)C	5200.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #39	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C4CC(O[Si](C)(C)C)C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=CC(O)=C3C2C1O	5216.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5209.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #40	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C4CC(O[Si](C)(C)C)C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=CC(O)=C3C2C1O	5193.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #41	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O)C=C1O	5142.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #42	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O)=CC=C1O	5119.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #43	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O[Si](C)(C)C)=CC=C1O	5196.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #44	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C)C=C1O	5165.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #45	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C6)C(O[Si](C)(C)C)CC5=C4O2)C3O)=CC=C1O	5278.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #46	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C)=CC=C1O	5149.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #47	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5216.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #48	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)C(O[Si](C)(C)C)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	5184.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #49	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O[Si](C)(C)C)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	5168.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O)C=C1O	5157.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #50	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O[Si](C)(C)C)C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=CC(O)=C3C2C1O[Si](C)(C)C	5203.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #51	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O[Si](C)(C)C)C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=CC(O)=C3C2C1O[Si](C)(C)C	5191.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #52	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O[Si](C)(C)C)C(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)OC4=CC(O)=C3C2C1O	5313.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #53	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O[Si](C)(C)C)C=C1O	5205.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #54	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O[Si](C)(C)C)=CC=C1O	5190.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #55	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O)C=C1O[Si](C)(C)C	5266.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #56	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5259.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #57	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5200.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #58	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O[Si](C)(C)C	5164.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #59	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)(O2)C1O[Si](C)(C)C	5165.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #6	C[Si](C)(C)OC1=CC(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O[Si](C)(C)C)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O)=CC=C1O	5142.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #60	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5174.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #61	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C	5148.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #62	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O[Si](C)(C)C)C=C1O	5174.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #63	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O[Si](C)(C)C)=CC=C1O	5174.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #64	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O[Si](C)(C)C)C=C1O	5185.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #65	C[Si](C)(C)OC1=CC(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O[Si](C)(C)C)=CC=C1O	5158.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #66	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O[Si](C)(C)C)C=C1O	5147.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #67	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O[Si](C)(C)C)=C6)C(O)CC5=C4O2)C3O[Si](C)(C)C)C=C1O	5110.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #68	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O[Si](C)(C)C)C=C1O[Si](C)(C)C	5259.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #69	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O[Si](C)(C)C)C=C1O	5142.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C4CC(O[Si](C)(C)C)C(C5=CC=C(O)C(O)=C5)OC4=CC(O[Si](C)(C)C)=C3C2C1O	5183.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #70	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O[Si](C)(C)C)=CC=C1O	5108.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #71	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5252.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #72	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O)=C5)OC4=CC(O)=C3C2C1O[Si](C)(C)C	5254.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #73	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O)=C5)OC4=CC(O[Si](C)(C)C)=C3C2C1O[Si](C)(C)C	5163.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #74	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=CC(O)=C3C2C1O[Si](C)(C)C	5147.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #75	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=CC(O)=C3C2C1O[Si](C)(C)C	5119.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #76	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O)=C5)OC4=CC(O[Si](C)(C)C)=C3C2C1O[Si](C)(C)C	5164.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #77	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C4CC(O)C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=CC(O)=C3C2C1O[Si](C)(C)C	5144.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #78	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=CC(O)=C3C2C1O[Si](C)(C)C	5112.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #79	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=CC(O[Si](C)(C)C)=C3C2C1O[Si](C)(C)C	5172.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #8	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=C4CC(O[Si](C)(C)C)C(C5=CC=C(O)C(O)=C5)OC4=CC(O[Si](C)(C)C)=C3C2C1O	5179.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #80	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=CC(O[Si](C)(C)C)=C3C2C1O[Si](C)(C)C	5147.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #81	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)OC4=CC(O)=C3C2C1O[Si](C)(C)C	5247.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #82	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C)C=C1O	5133.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #83	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O)C(O[Si](C)(C)C)=C6)C(O)CC5=C4O2)C3O[Si](C)(C)C)C=C1O	5101.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #84	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O[Si](C)(C)C)C=C1O[Si](C)(C)C	5253.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #85	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C)C=C1O	5221.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #86	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C6)C(O)CC5=C4O2)C3O[Si](C)(C)C)C=C1O	5196.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #87	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C)=CC=C1O	5191.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #88	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C)C=C1O	5132.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #89	C[Si](C)(C)OC1=CC(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C)=CC=C1O	5101.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O[Si](C)(C)C)C(C5=CC=C(O)C(O)=C5)OC4=CC(O[Si](C)(C)C)=C3C2C1O[Si](C)(C)C	5212.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #90	C[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C6)C(O)CC5=C4O2)C3O[Si](C)(C)C)=CC=C1O	5196.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #91	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5245.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #92	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)(O2)C1O	5116.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #93	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)(O2)C1O	5114.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #94	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	5121.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #95	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C1C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	5096.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #96	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O)C=C1O	5109.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #97	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O)C(O[Si](C)(C)C)=C6)C(O)CC5=C4O2)C3O)C=C1O	5082.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #98	C[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(C4=C(O[Si](C)(C)C)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O)C=C1O[Si](C)(C)C	5206.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,4TMS,isomer #99	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C4C2O)C=C1O	5105.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1CC2=C(C=C(O)C3=C2OC2(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3C2O)OC1C1=CC=C(O)C(O)=C1	5865.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C2C3=C(O)C=C(O)C=C3OC1(C1=CC=C(O)C(O)=C1)OC1=C3CC(O)C(C4=CC=C(O)C(O)=C4)OC3=CC(O)=C12	5837.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC2=C(CC(O)C(C3=CC=C(O)C(O)=C3)O2)C2=C1C1C3=C(O)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	5849.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)=CC=C1O	5904.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O	5918.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	5850.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O)=C5)OC4=CC(O)=C3C2C1O	5872.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O)C=C1O	5906.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O)=CC=C1O	5914.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC2=C(CC(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O)=C3)O2)C2=C1C1C3=C(O)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	6003.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O)=C5)OC4=CC(O)=C3C2C1O[Si](C)(C)C(C)(C)C	5996.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O[Si](C)(C)C(C)(C)C)C=C1O	6007.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O[Si](C)(C)C(C)(C)C)=CC=C1O	6011.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC2=C(CC(O)C(C3=CC=C(O)C(O)=C3)O2)C2=C1C1C3=C(O)C=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C(C)(C)C	5983.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C(C)(C)C)C=C1O	6017.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O[Si](C)(C)C(C)(C)C)=CC=C1O	6004.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(O[Si](C)(C)C(C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	6016.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O)=C5)OC4=CC(O[Si](C)(C)C(C)(C)C)=C3C2C1O	6035.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O[Si](C)(C)C(C)(C)C)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O)C=C1O	6040.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(O[Si](C)(C)C(C)(C)C)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O)=CC=C1O	6038.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O[Si](C)(C)C(C)(C)C)CC5=C4O2)C3O)C=C1O	6062.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O	6047.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)=CC=C1O	6027.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C6)C(O)CC5=C4O2)C3O)C=C1O	6081.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O)=CC=C1O	6079.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C5)OC4=CC(O)=C3C2C1O	6067.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C4C2O)=CC=C1O	6038.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O[Si](C)(C)C(C)(C)C	6063.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O	6102.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O	6100.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C5)OC4=CC(O)=C3C2C1O	6086.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O[Si](C)(C)C(C)(C)C)CC5=C4O2)C3O)=CC=C1O	6066.4	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C4C2O)C=C1O	6054.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C1C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	6027.7	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O)C=C1O	6047.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC(C23OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O)=CC=C1O	6048.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O)=C5)OC4=CC(O)=C3C2C1O	6077.1	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=C4CC(O)C(C5=CC=C(O)C(O)=C5)OC4=CC(O)=C3C2C1O	6079.3	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC=C(C23OC4=CC(O)=CC(O)=C4C(C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O2)C3O)C=C1O[Si](C)(C)C(C)(C)C	6055.2	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC1(C3=CC=C(O)C(O)=C3)OC3=C4CC(O[Si](C)(C)C(C)(C)C)C(C5=CC=C(O)C(O)=C5)OC4=CC(O)=C3C2C1O	6036.9	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C(C)(C)C)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O	6005.8	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1CC2=C(C=C(O)C3=C2OC2(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3C2O[Si](C)(C)C(C)(C)C)OC1C1=CC=C(O)C(O)=C1	5969.5	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C(C)(C)C)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)C=C1O	6074.0	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=C4C(=C3CC2O[Si](C)(C)C(C)(C)C)OC2(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C4C2O)=CC=C1O	6067.6	Semi standard non polar	33892256
Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C1C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)C(O)CC4=C3OC(C3=CC=C(O)C(O)=C3)(O2)C1O[Si](C)(C)C(C)(C)C	5991.3	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 - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (Non-derivatized) - 70eV, Positive	splash10-0ab9-0512690000-9b1aaf1a8c9b3361b0fa	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (1 TMS) - 70eV, Positive	splash10-05d0-9502045000-d2a3a5f8d514b048033e	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS ("Epicatechin-(2beta->5,4beta->6)-ent-epicatechin,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin 10V, Positive-QTOF	splash10-056r-0200590000-757c61e724427a5c4fbe	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin 20V, Positive-QTOF	splash10-056r-0611940000-c83793106da06467e043	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin 40V, Positive-QTOF	splash10-0a4i-0900010000-0aa8bd9a025fd28919c1	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin 10V, Negative-QTOF	splash10-004i-0000190000-208d149e4021c9b851fe	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin 20V, Negative-QTOF	splash10-0pk9-0910480000-84f574ce2bae10ba80c5	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin 40V, Negative-QTOF	splash10-056r-0920010000-e58b5ed95f5749815b2a	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin 10V, Positive-QTOF	splash10-004i-0000090000-3133ae4b1b008d654d0d	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin 20V, Positive-QTOF	splash10-004i-0010390000-fae61337c54cf005523c	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin 40V, Positive-QTOF	splash10-000l-0090470000-6001fd33b1f9b6ee565d	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin 10V, Negative-QTOF	splash10-004i-0000090000-97b4f0ce6c2f2f87ffc0	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin 20V, Negative-QTOF	splash10-00os-0000890000-4a728e644f284e628d6c	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epicatechin-(2beta->5,4beta->6)-ent-epicatechin 40V, Negative-QTOF	splash10-000l-0290660000-455fbb4691afa57d3486	2021-09-22	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB020476

KNApSAcK ID

Not Available

Chemspider ID

35014999

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14841178

PDB ID

Not Available

ChEBI ID

168370

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 Epicatechin-(2beta->5,4beta->6)-ent-epicatechin (HMDB0040678)

MOL for HMDB0040678 (Epicatechin-(2beta->5,4beta->6)-ent-epicatechin)

3D MOL for HMDB0040678 (Epicatechin-(2beta->5,4beta->6)-ent-epicatechin)

3D SDF for HMDB0040678 (Epicatechin-(2beta->5,4beta->6)-ent-epicatechin)

3D-SDF for HMDB0040678 (Epicatechin-(2beta->5,4beta->6)-ent-epicatechin)

PDB for HMDB0040678 (Epicatechin-(2beta->5,4beta->6)-ent-epicatechin)

3D PDB for HMDB0040678 (Epicatechin-(2beta->5,4beta->6)-ent-epicatechin)

SMILES for HMDB0040678 (Epicatechin-(2beta->5,4beta->6)-ent-epicatechin)

INCHI for HMDB0040678 (Epicatechin-(2beta->5,4beta->6)-ent-epicatechin)

Structure for HMDB0040678 (Epicatechin-(2beta->5,4beta->6)-ent-epicatechin)

3D Structure for HMDB0040678 (Epicatechin-(2beta->5,4beta->6)-ent-epicatechin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra