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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 18:00:05 UTC

Update Date

2022-03-07 02:53:39 UTC

HMDB ID

HMDB0033288

Secondary Accession Numbers

HMDB33288

Metabolite Identification

Common Name

Epitheaflagallin 3-O-gallate

Description

Epitheaflagallin 3-O-gallate, also known as etfgg compound, belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid. Epitheaflagallin 3-O-gallate has been detected, but not quantified in, several different foods, such as black tea, green tea, herbal tea, red tea, and teas (Camellia sinensis). This could make epitheaflagallin 3-O-gallate a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Epitheaflagallin 3-O-gallate.

Structure

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


  Mrv0541 05061307022D          

 40 44  0  0  0  0            999 V2000
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M  END

HMDB0033288
     RDKit          3D
Epitheaflagallin 3-O-gallate
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M  END


  Mrv0541 05061307022D          

 40 44  0  0  0  0            999 V2000
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 39 26  1  0  0  0  0
 40 20  1  0  0  0  0
 40 27  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0033288

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(=O)C(O)=C2C(O)=C(O)C(O)=CC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C27H20O13/c28-12-6-14(29)13-8-20(40-27(38)11-4-15(30)22(34)16(31)5-11)26(39-19(13)7-12)10-1-9-2-18(33)24(36)25(37)21(9)23(35)17(32)3-10/h1-7,20,26,28-31,33-34,36-37H,8H2,(H,32,35)

> <INCHI_KEY>
CMGRMMSVGCHWOK-UHFFFAOYSA-N

> <FORMULA>
C27H20O13

> <MOLECULAR_WEIGHT>
552.4399

> <EXACT_MASS>
552.090390726

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
52.81837908090336

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,7-dihydroxy-2-{2,3,4,5-tetrahydroxy-6-oxo-6H-benzo[7]annulen-8-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

> <ALOGPS_LOGP>
1.98

> <JCHEM_LOGP>
1.8222828066666668

> <ALOGPS_LOGS>
-3.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.23508729852664

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.547910529511347

> <JCHEM_PKA_STRONGEST_BASIC>
-3.8008524008744766

> <JCHEM_POLAR_SURFACE_AREA>
234.66999999999996

> <JCHEM_REFRACTIVITY>
140.97830000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.10e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7-dihydroxy-2-{1,2,3,9-tetrahydroxy-8-oxobenzo[7]annulen-6-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0033288
     RDKit          3D
Epitheaflagallin 3-O-gallate
 60 64  0  0  0  0  0  0  0  0999 V2000
    2.1822    0.0435    1.9599 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5556   -0.3141    0.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0317    0.3603   -0.2846 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1282    1.3876   -0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7761    2.7470   -0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9096    3.7779    0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3627    4.9935    0.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6930    5.2967    0.5023 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5202    5.9163    1.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8114    5.6376    1.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6617    6.5879    1.9157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3157    4.4338    0.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4456    3.5142    0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0026    2.3180   -0.1204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1581    1.3580   -0.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9118    0.1272   -0.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3619   -1.1146   -0.7191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8788   -2.2712   -0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1130   -3.2033    0.1675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2189   -2.5472    0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5244   -3.6390    0.8932 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3174   -1.8310   -0.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4804   -2.5721   -0.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3731   -3.8257    0.2902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6603   -2.0310   -0.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8428   -2.7171   -0.5589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7160   -0.7424   -1.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9432   -0.2229   -1.6159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5473   -0.0237   -1.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3499   -0.5644   -0.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2850    0.3113   -1.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5128   -1.4060    0.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9521   -1.8330   -0.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550   -2.8623   -0.7194 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2951   -3.2891   -1.9676 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3378   -3.4894    0.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2583   -4.5404    0.2565 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9070   -3.0728    1.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4076   -3.7218    2.7710 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0037   -2.0425    1.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9323    1.5162    1.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8145    2.7869   -0.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6526    2.8656   -1.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4082    4.7250    0.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9051    6.8449    1.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8234    6.5865    2.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3832    4.2094    0.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0261    1.8223   -1.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6358   -1.2169   -1.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7444   -4.1797    1.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1889   -4.3977    0.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9587   -3.6388   -0.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7760   -0.7855   -1.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5954    0.9644   -1.7445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5988    1.2615   -1.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5919   -1.3604   -1.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9847   -2.8761   -2.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5655   -4.8363   -0.6467 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1204   -3.4507    3.7012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7146   -1.7742    2.7973 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  2  0
 29 30  1  0
 30 31  2  0
  2 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  1  0
 34 36  2  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  2  0
 15  4  1  0
 31 16  1  0
 40 32  1  0
 13  6  1  0
 30 22  1  0
  4 41  1  0
  5 42  1  0
  5 43  1  0
  8 44  1  0
  9 45  1  0
 11 46  1  0
 12 47  1  0
 15 48  1  0
 17 49  1  0
 21 50  1  0
 24 51  1  0
 26 52  1  0
 28 53  1  0
 29 54  1  0
 31 55  1  0
 33 56  1  0
 35 57  1  0
 37 58  1  0
 39 59  1  0
 40 60  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       4.789  -0.359   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.252  -0.549   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.959  -2.089   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.944  -3.053   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.461  -4.028   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.569   5.548   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.086   4.574   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.734   1.477   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.585  -1.319   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.291  -0.701   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      11.422  -2.824   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.046   5.778   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.171   2.911   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.131   4.115   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      13.507  -4.487   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      11.024  -5.461   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.291  -3.476   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.918  -1.319   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.648   3.140   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.774   0.273   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.585  -2.859   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.547  -5.691   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.789  -3.819   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.918  -2.859   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.252  -3.629   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.251   0.503   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      10.859  -1.390   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       7.483   7.211   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      11.654   3.885   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      15.030  -4.716   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      10.064  -6.665   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       7.251  -4.681   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -0.416  -0.549   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      13.109  -7.124   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       4.447  -5.321   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -0.416  -3.629   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       2.252  -5.169   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      11.819  -0.186   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       6.688   1.936   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       9.336  -1.161   0.000  0.00  0.00           O+0
CONECT    1    9   10                                                       
CONECT    2    9   18                                                       
CONECT    3   10   17                                                       
CONECT    4   11   15                                                       
CONECT    5   11   16                                                       
CONECT    6   12   14                                                       
CONECT    7   12   19                                                       
CONECT    8   13   20                                                       
CONECT    9    1    2   21                                                  
CONECT   10    1    3   26                                                  
CONECT   11    4    5   27                                                  
CONECT   12    6    7   28                                                  
CONECT   13    8   14   19                                                  
CONECT   14    6   13   29                                                  
CONECT   15    4   22   30                                                  
CONECT   16    5   22   31                                                  
CONECT   17    3   23   32                                                  
CONECT   18    2   24   33                                                  
CONECT   19    7   13   39                                                  
CONECT   20    8   26   40                                                  
CONECT   21    9   23   25                                                  
CONECT   22   15   16   34                                                  
CONECT   23   17   21   35                                                  
CONECT   24   18   25   36                                                  
CONECT   25   21   24   37                                                  
CONECT   26   10   20   39                                                  
CONECT   27   11   38   40                                                  
CONECT   28   12                                                            
CONECT   29   14                                                            
CONECT   30   15                                                            
CONECT   31   16                                                            
CONECT   32   17                                                            
CONECT   33   18                                                            
CONECT   34   22                                                            
CONECT   35   23                                                            
CONECT   36   24                                                            
CONECT   37   25                                                            
CONECT   38   27                                                            
CONECT   39   19   26                                                       
CONECT   40   20   27                                                       
MASTER        0    0    0    0    0    0    0    0   40    0   88    0
END

COMPND    HMDB0033288
HETATM    1  O1  UNL     1       2.182   0.044   1.960  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.556  -0.314   0.832  1.00  0.00           C  
HETATM    3  O2  UNL     1       2.032   0.360  -0.285  1.00  0.00           O  
HETATM    4  C2  UNL     1       1.128   1.388  -0.086  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.776   2.747  -0.462  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.910   3.778   0.165  1.00  0.00           C  
HETATM    7  C5  UNL     1       1.363   4.993   0.622  1.00  0.00           C  
HETATM    8  O3  UNL     1       2.693   5.297   0.502  1.00  0.00           O  
HETATM    9  C6  UNL     1       0.520   5.916   1.197  1.00  0.00           C  
HETATM   10  C7  UNL     1      -0.811   5.638   1.327  1.00  0.00           C  
HETATM   11  O4  UNL     1      -1.662   6.588   1.916  1.00  0.00           O  
HETATM   12  C8  UNL     1      -1.316   4.434   0.886  1.00  0.00           C  
HETATM   13  C9  UNL     1      -0.446   3.514   0.308  1.00  0.00           C  
HETATM   14  O5  UNL     1      -1.003   2.318  -0.120  1.00  0.00           O  
HETATM   15  C10 UNL     1      -0.158   1.358  -0.810  1.00  0.00           C  
HETATM   16  C11 UNL     1      -0.912   0.127  -0.876  1.00  0.00           C  
HETATM   17  C12 UNL     1      -0.362  -1.115  -0.719  1.00  0.00           C  
HETATM   18  C13 UNL     1      -0.879  -2.271  -0.162  1.00  0.00           C  
HETATM   19  O6  UNL     1      -0.113  -3.203   0.167  1.00  0.00           O  
HETATM   20  C14 UNL     1      -2.219  -2.547   0.093  1.00  0.00           C  
HETATM   21  O7  UNL     1      -2.524  -3.639   0.893  1.00  0.00           O  
HETATM   22  C15 UNL     1      -3.317  -1.831  -0.378  1.00  0.00           C  
HETATM   23  C16 UNL     1      -4.480  -2.572  -0.250  1.00  0.00           C  
HETATM   24  O8  UNL     1      -4.373  -3.826   0.290  1.00  0.00           O  
HETATM   25  C17 UNL     1      -5.660  -2.031  -0.660  1.00  0.00           C  
HETATM   26  O9  UNL     1      -6.843  -2.717  -0.559  1.00  0.00           O  
HETATM   27  C18 UNL     1      -5.716  -0.742  -1.207  1.00  0.00           C  
HETATM   28  O10 UNL     1      -6.943  -0.223  -1.616  1.00  0.00           O  
HETATM   29  C19 UNL     1      -4.547  -0.024  -1.324  1.00  0.00           C  
HETATM   30  C20 UNL     1      -3.350  -0.564  -0.911  1.00  0.00           C  
HETATM   31  C21 UNL     1      -2.285   0.311  -1.110  1.00  0.00           C  
HETATM   32  C22 UNL     1       3.513  -1.406   0.674  1.00  0.00           C  
HETATM   33  C23 UNL     1       3.952  -1.833  -0.558  1.00  0.00           C  
HETATM   34  C24 UNL     1       4.855  -2.862  -0.719  1.00  0.00           C  
HETATM   35  O11 UNL     1       5.295  -3.289  -1.968  1.00  0.00           O  
HETATM   36  C25 UNL     1       5.338  -3.489   0.394  1.00  0.00           C  
HETATM   37  O12 UNL     1       6.258  -4.540   0.256  1.00  0.00           O  
HETATM   38  C26 UNL     1       4.907  -3.073   1.636  1.00  0.00           C  
HETATM   39  O13 UNL     1       5.408  -3.722   2.771  1.00  0.00           O  
HETATM   40  C27 UNL     1       4.004  -2.043   1.790  1.00  0.00           C  
HETATM   41  H1  UNL     1       0.932   1.516   1.015  1.00  0.00           H  
HETATM   42  H2  UNL     1       2.815   2.787  -0.135  1.00  0.00           H  
HETATM   43  H3  UNL     1       1.653   2.866  -1.564  1.00  0.00           H  
HETATM   44  H4  UNL     1       3.408   4.725   0.109  1.00  0.00           H  
HETATM   45  H5  UNL     1       0.905   6.845   1.538  1.00  0.00           H  
HETATM   46  H6  UNL     1      -1.823   6.586   2.915  1.00  0.00           H  
HETATM   47  H7  UNL     1      -2.383   4.209   0.991  1.00  0.00           H  
HETATM   48  H8  UNL     1      -0.026   1.822  -1.825  1.00  0.00           H  
HETATM   49  H9  UNL     1       0.636  -1.217  -1.093  1.00  0.00           H  
HETATM   50  H10 UNL     1      -1.744  -4.180   1.250  1.00  0.00           H  
HETATM   51  H11 UNL     1      -5.189  -4.398   0.401  1.00  0.00           H  
HETATM   52  H12 UNL     1      -6.959  -3.639  -0.192  1.00  0.00           H  
HETATM   53  H13 UNL     1      -7.776  -0.785  -1.511  1.00  0.00           H  
HETATM   54  H14 UNL     1      -4.595   0.964  -1.744  1.00  0.00           H  
HETATM   55  H15 UNL     1      -2.599   1.261  -1.503  1.00  0.00           H  
HETATM   56  H16 UNL     1       3.592  -1.360  -1.462  1.00  0.00           H  
HETATM   57  H17 UNL     1       4.985  -2.876  -2.835  1.00  0.00           H  
HETATM   58  H18 UNL     1       6.565  -4.836  -0.647  1.00  0.00           H  
HETATM   59  H19 UNL     1       5.120  -3.451   3.701  1.00  0.00           H  
HETATM   60  H20 UNL     1       3.715  -1.774   2.797  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   32
CONECT    3    4
CONECT    4    5   15   41
CONECT    5    6   42   43
CONECT    6    7    7   13
CONECT    7    8    9
CONECT    8   44
CONECT    9   10   10   45
CONECT   10   11   12
CONECT   11   46
CONECT   12   13   13   47
CONECT   13   14
CONECT   14   15
CONECT   15   16   48
CONECT   16   17   17   31
CONECT   17   18   49
CONECT   18   19   19   20
CONECT   20   21   22   22
CONECT   21   50
CONECT   22   23   30
CONECT   23   24   25   25
CONECT   24   51
CONECT   25   26   27
CONECT   26   52
CONECT   27   28   29   29
CONECT   28   53
CONECT   29   30   54
CONECT   30   31   31
CONECT   31   55
CONECT   32   33   33   40
CONECT   33   34   56
CONECT   34   35   36   36
CONECT   35   57
CONECT   36   37   38
CONECT   37   58
CONECT   38   39   40   40
CONECT   39   59
CONECT   40   60
END

HMDB0033288
     RDKit          3D
Epitheaflagallin 3-O-gallate
 60 64  0  0  0  0  0  0  0  0999 V2000
    2.1822    0.0435    1.9599 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5556   -0.3141    0.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0317    0.3603   -0.2846 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1282    1.3876   -0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7761    2.7470   -0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9096    3.7779    0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3627    4.9935    0.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6930    5.2967    0.5023 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5202    5.9163    1.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8114    5.6376    1.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6617    6.5879    1.9157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3157    4.4338    0.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4456    3.5142    0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0026    2.3180   -0.1204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1581    1.3580   -0.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9118    0.1272   -0.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3619   -1.1146   -0.7191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8788   -2.2712   -0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1130   -3.2033    0.1675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2189   -2.5472    0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5244   -3.6390    0.8932 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3174   -1.8310   -0.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4804   -2.5721   -0.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3731   -3.8257    0.2902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6603   -2.0310   -0.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8428   -2.7171   -0.5589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7160   -0.7424   -1.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9432   -0.2229   -1.6159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5473   -0.0237   -1.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3499   -0.5644   -0.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2850    0.3113   -1.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5128   -1.4060    0.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9521   -1.8330   -0.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550   -2.8623   -0.7194 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2951   -3.2891   -1.9676 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3378   -3.4894    0.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2583   -4.5404    0.2565 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9070   -3.0728    1.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4076   -3.7218    2.7710 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0037   -2.0425    1.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9323    1.5162    1.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8145    2.7869   -0.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6526    2.8656   -1.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4082    4.7250    0.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9051    6.8449    1.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8234    6.5865    2.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3832    4.2094    0.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0261    1.8223   -1.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6358   -1.2169   -1.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7444   -4.1797    1.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1889   -4.3977    0.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9587   -3.6388   -0.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7760   -0.7855   -1.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5954    0.9644   -1.7445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5988    1.2615   -1.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5919   -1.3604   -1.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9847   -2.8761   -2.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5655   -4.8363   -0.6467 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1204   -3.4507    3.7012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7146   -1.7742    2.7973 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  2  0
 29 30  1  0
 30 31  2  0
  2 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  1  0
 34 36  2  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  2  0
 15  4  1  0
 31 16  1  0
 40 32  1  0
 13  6  1  0
 30 22  1  0
  4 41  1  0
  5 42  1  0
  5 43  1  0
  8 44  1  0
  9 45  1  0
 11 46  1  0
 12 47  1  0
 15 48  1  0
 17 49  1  0
 21 50  1  0
 24 51  1  0
 26 52  1  0
 28 53  1  0
 29 54  1  0
 31 55  1  0
 33 56  1  0
 35 57  1  0
 37 58  1  0
 39 59  1  0
 40 60  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Epitheaflagallin 3-O-gallic acid	Generator
5,7-Dihydroxy-2-{2,3,4,5-tetrahydroxy-6-oxo-6H-benzo[7]annulen-8-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoic acid	HMDB
ETFGg compound	HMDB
Epitheaflagallin 3-O-gallate	MeSH

Chemical Formula

C₂₇H₂₀O₁₃

Average Molecular Weight

552.4399

Monoisotopic Molecular Weight

552.090390726

IUPAC Name

5,7-dihydroxy-2-{2,3,4,5-tetrahydroxy-6-oxo-6H-benzo[7]annulen-8-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

Traditional Name

5,7-dihydroxy-2-{1,2,3,9-tetrahydroxy-8-oxobenzo[7]annulen-6-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

CAS Registry Number

102067-92-5

SMILES

OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(=O)C(O)=C2C(O)=C(O)C(O)=CC2=C1

InChI Identifier

InChI=1S/C27H20O13/c28-12-6-14(29)13-8-20(40-27(38)11-4-15(30)22(34)16(31)5-11)26(39-19(13)7-12)10-1-9-2-18(33)24(36)25(37)21(9)23(35)17(32)3-10/h1-7,20,26,28-31,33-34,36-37H,8H2,(H,32,35)

InChI Key

CMGRMMSVGCHWOK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

Galloyl esters

Alternative Parents

Substituents

Galloyl ester
P-hydroxybenzoic acid alkyl ester
M-hydroxybenzoic acid ester
P-hydroxybenzoic acid ester
1-benzopyran
Benzopyran
Chromane
Benzoate ester
Pyrogallol derivative
Tropolone
Benzenetriol
Tropone
Benzoyl
1-hydroxy-4-unsubstituted benzenoid
Phenol
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Cyclic ketone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Polyol
Carboxylic acid derivative
Ether
Monocarboxylic acid or derivatives
Organic oxide
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

Membrane (HMDB: HMDB0033288)

Membrane (HMDB: HMDB0033288)
Cell membrane (HMDB: HMDB0033288)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0033288)

Source

Exogenous

Food

Food (HMDB: HMDB0033288)

Tea

Endogenous

Plant

Plant (HMDB: HMDB0033288)

Not Available

Nutrient (HMDB: HMDB0033288)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	218 - 220 °C	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	0.081 g/L	ALOGPS
logP	1.98	ALOGPS
logP	1.82	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	7.55	ChemAxon
pKa (Strongest Basic)	-3.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	234.67 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	140.98 m³·mol⁻¹	ChemAxon
Polarizability	52.82 Å³	ChemAxon
Number of Rings	5	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]+	225.594	31661259
DarkChem	[M-H]-	217.844	31661259
DeepCCS	[M+H]+	211.915	30932474
DeepCCS	[M-H]-	209.964	30932474
DeepCCS	[M-2H]-	243.202	30932474
DeepCCS	[M+Na]+	217.662	30932474
AllCCS	[M+H]+	224.7	32859911
AllCCS	[M+H-H2O]+	222.9	32859911
AllCCS	[M+NH4]+	226.3	32859911
AllCCS	[M+Na]+	226.8	32859911
AllCCS	[M-H]-	218.8	32859911
AllCCS	[M+Na-2H]-	219.5	32859911
AllCCS	[M+HCOO]-	220.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Epitheaflagallin 3-O-gallate	OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(=O)C(O)=C2C(O)=C(O)C(O)=CC2=C1	7343.9	Standard polar	33892256
Epitheaflagallin 3-O-gallate	OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(=O)C(O)=C2C(O)=C(O)C(O)=CC2=C1	4900.0	Standard non polar	33892256
Epitheaflagallin 3-O-gallate	OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(=O)C(O)=C2C(O)=C(O)C(O)=CC2=C1	5840.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Epitheaflagallin 3-O-gallate,1TMS,isomer #1	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O)=CC4=C3)OC2=C1	5595.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(C1=CC(=O)C(O)=C3C(O)=C(O)C(O)=CC3=C1)O2	5558.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,1TMS,isomer #3	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O)C(O)=CC3=C2)=CC(O)=C1O	5587.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,1TMS,isomer #4	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O)C(O)=CC3=C2)C=C1O	5575.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,1TMS,isomer #5	C[Si](C)(C)OC1=C2C(O)=C(O)C(O)=CC2=CC(C2OC3=CC(O)=CC(O)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC1=O	5514.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,1TMS,isomer #6	C[Si](C)(C)OC1=C(O)C(O)=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O)=C12	5533.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,1TMS,isomer #7	C[Si](C)(C)OC1=C(O)C2=C(O)C(=O)C=C(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)C=C2C=C1O	5533.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,1TMS,isomer #8	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O)=C2C(O)=C1O	5608.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	5363.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(C1=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O)C(O)=CC3=C1)O2	5323.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(C1=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O)C(O)=CC3=C1)O2	5322.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #12	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(C1=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C)C(O)=CC3=C1)O2	5326.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #13	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O)=C2C(O)=C1O	5400.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #14	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O)C(O)=CC3=C2)=CC(O)=C1O	5355.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #15	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O)C(O)=CC3=C2)=CC(O)=C1O	5377.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #16	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C)C(O)=CC3=C2)=CC(O)=C1O	5421.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #17	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O)C(O[Si](C)(C)C)=CC3=C2)=CC(O)=C1O	5458.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #18	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O)C(O)=CC3=C2)=CC(O[Si](C)(C)C)=C1O	5466.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #19	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O)C(O)=CC3=C2)=CC(O)=C1O[Si](C)(C)C	5396.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C(O)=CC4=C3)OC2=C1	5373.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #20	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O)C(O)=CC3=C2)C=C1O	5347.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #21	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O)C(O)=CC3=C2)C=C1O	5388.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #22	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C)C(O)=CC3=C2)C=C1O	5454.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #23	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C(O)=C2C(O)=C1O	5493.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #24	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O[Si](C)(C)C)=C2C(O)=C1O	5380.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #25	C[Si](C)(C)OC1=C(O)C2=C(O[Si](C)(C)C)C(=O)C=C(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)C=C2C=C1O	5309.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #26	C[Si](C)(C)OC1=C(O)C(O)=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O[Si](C)(C)C)=C12	5333.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #27	C[Si](C)(C)OC1=C(O[Si](C)(C)C)C2=C(O)C(=O)C=C(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)C=C2C=C1O	5334.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #28	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O)=C2C(O[Si](C)(C)C)=C1O	5428.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #29	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O)=C2C(O)=C1O[Si](C)(C)C	5392.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C(O)=CC4=C3)OC2=C1	5373.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C(O)=CC4=C3)OC2=C1	5376.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #5	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O[Si](C)(C)C)=CC4=C3)OC2=C1	5445.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O)=CC4=C3)OC2=C1	5444.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O)=CC4=C3)OC2=C1	5429.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #8	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(C=C(O)C=C3O[Si](C)(C)C)OC2C2=CC(=O)C(O)=C3C(O)=C(O)C(O)=CC3=C2)=CC(O)=C1O	5382.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(C1=CC(=O)C(O)=C3C(O)=C(O)C(O)=CC3=C1)O2	5377.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	5178.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C(O)=CC4=C3)OC2=C1	5171.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C(O)=CC4=C3)OC2=C1	5158.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #12	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=CC4=C3)OC2=C1	5139.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=CC4=C3)OC2=C1	5237.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C(O)=CC4=C3)OC2=C1	5178.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C(O)=CC4=C3)OC2=C1	5170.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #16	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC4=C3)OC2=C1	5195.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C(O)=CC4=C3)OC2=C1	5189.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C(O)=CC4=C3)OC2=C1	5198.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O[Si](C)(C)C)=CC4=C3)OC2=C1	5246.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #2	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	5146.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O[Si](C)(C)C)=CC4=C3)OC2=C1	5232.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O)=CC4=C3)OC2=C1	5290.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O)=CC4=C3)OC2=C1	5214.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #23	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(C=C(O)C=C3O[Si](C)(C)C)OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O)C(O)=CC3=C2)=CC(O)=C1O	5133.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #24	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(C=C(O)C=C3O[Si](C)(C)C)OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O)C(O)=CC3=C2)=CC(O)=C1O	5138.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #25	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(C=C(O)C=C3O[Si](C)(C)C)OC2C2=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C)C(O)=CC3=C2)=CC(O)=C1O	5139.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #26	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(C=C(O)C=C3O[Si](C)(C)C)OC2C2=CC(=O)C(O)=C3C(O)=C(O)C(O[Si](C)(C)C)=CC3=C2)=CC(O)=C1O	5208.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #27	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(C=C(O)C=C3O[Si](C)(C)C)OC2C2=CC(=O)C(O)=C3C(O)=C(O)C(O)=CC3=C2)=CC(O[Si](C)(C)C)=C1O	5241.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #28	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(C1=CC(=O)C(O)=C3C(O)=C(O)C(O)=CC3=C1)O2	5177.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #29	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(C1=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O)C(O)=CC3=C1)O2	5127.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #3	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C(O)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	5136.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(C1=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O)C(O)=CC3=C1)O2	5137.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #31	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(C1=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C)C(O)=CC3=C1)O2	5128.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #32	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4CC3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C(O)=C2C(O)=C1O	5194.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #33	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(C1=CC(=O)C(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)=C(O)C(O)=CC3=C1)O2	5122.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #34	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(C1=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O[Si](C)(C)C)C(O)=CC3=C1)O2	5102.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #35	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O[Si](C)(C)C)=C2C(O)=C1O	5163.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #36	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(C1=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=CC3=C1)O2	5110.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #37	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O)=C2C(O[Si](C)(C)C)=C1O	5202.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #38	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(C1=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC3=C1)O2	5156.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #39	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)=C(O)C(O)=CC3=C2)=CC(O)=C1O	5157.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #4	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C(O)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	5116.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #40	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O[Si](C)(C)C)C(O)=CC3=C2)=CC(O)=C1O	5163.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #41	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O)C(O[Si](C)(C)C)=CC3=C2)=CC(O)=C1O	5209.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #42	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O)C(O)=CC3=C2)=CC(O[Si](C)(C)C)=C1O	5212.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #43	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O)C(O)=CC3=C2)=CC(O)=C1O[Si](C)(C)C	5160.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #44	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=CC3=C2)=CC(O)=C1O	5167.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #45	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=CC3=C2)=CC(O)=C1O	5273.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #46	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O)C(O)=CC3=C2)=CC(O[Si](C)(C)C)=C1O	5250.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #47	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O)C(O)=CC3=C2)=CC(O)=C1O[Si](C)(C)C	5189.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #48	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC3=C2)=CC(O)=C1O	5222.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #49	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C)C(O)=CC3=C2)=CC(O[Si](C)(C)C)=C1O	5266.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #5	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C(O)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	5117.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #50	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C)C(O)=CC3=C2)=CC(O)=C1O[Si](C)(C)C	5219.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #51	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O)C(O[Si](C)(C)C)=CC3=C2)=CC(O[Si](C)(C)C)=C1O	5328.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #52	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C(O)=C2C(O)=C1O	5268.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #53	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O)C(O)=CC3=C2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5243.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #54	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)=C(O)C(O)=CC3=C2)C=C1O	5169.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #55	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O[Si](C)(C)C)C(O)=CC3=C2)C=C1O	5189.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #56	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C(O[Si](C)(C)C)=C2C(O)=C1O	5234.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #57	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=CC3=C2)C=C1O	5197.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #58	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C(O)=C2C(O[Si](C)(C)C)=C1O	5294.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #59	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C(O)=C2C(O)=C1O[Si](C)(C)C	5244.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #6	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O[Si](C)(C)C)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	5189.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #60	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O[Si](C)(C)C)=C2C(O[Si](C)(C)C)=C1O	5219.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #61	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O[Si](C)(C)C)=C2C(O)=C1O[Si](C)(C)C	5170.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #62	C[Si](C)(C)OC1=C(O[Si](C)(C)C)C2=C(O[Si](C)(C)C)C(=O)C=C(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)C=C2C=C1O	5145.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #63	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O)=C2C(O[Si](C)(C)C)=C1O[Si](C)(C)C	5221.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O[Si](C)(C)C)=C(O)C(O)=CC4=C3)OC2=C1	5145.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #8	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O[Si](C)(C)C)C(O)=CC4=C3)OC2=C1	5139.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C(O[Si](C)(C)C)=CC4=C3)OC2=C1	5188.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	5029.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #10	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O[Si](C)(C)C)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	4939.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #11	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O[Si](C)(C)C)=C(O)C(O)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	5001.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #12	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O[Si](C)(C)C)C(O)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	4965.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #13	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C(O[Si](C)(C)C)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	5023.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #14	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	4985.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #15	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	5030.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #16	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	5012.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=CC4=C3)OC2=C1	5051.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=CC4=C3)OC2=C1	5090.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O[Si](C)(C)C)=C(O)C(O)=CC4=C3)OC2=C1	5012.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #2	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	5003.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O[Si](C)(C)C)=C(O)C(O)=CC4=C3)OC2=C1	4963.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC4=C3)OC2=C1	5068.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O[Si](C)(C)C)C(O)=CC4=C3)OC2=C1	4956.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #23	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O[Si](C)(C)C)C(O)=CC4=C3)OC2=C1	4974.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #24	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C(O[Si](C)(C)C)=CC4=C3)OC2=C1	5031.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C(O[Si](C)(C)C)=CC4=C3)OC2=C1	4984.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #26	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C(O)=CC4=C3)OC2=C1	5078.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #27	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C(O)=CC4=C3)OC2=C1	5052.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #28	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC4=C3)OC2=C1	5102.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #29	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=CC4=C3)OC2=C1	4978.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #3	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C(O)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	4998.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=CC4=C3)OC2=C1	4966.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #31	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=CC4=C3)OC2=C1	5026.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #32	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=CC4=C3)OC2=C1	5010.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #33	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C(O)=CC4=C3)OC2=C1	5017.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #34	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C(O)=CC4=C3)OC2=C1	4986.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #35	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC4=C3)OC2=C1	5007.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #36	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC4=C3)OC2=C1	4987.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #37	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C(O)=CC4=C3)OC2=C1	5012.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #38	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C(O)=CC4=C3)OC2=C1	4980.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #39	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O[Si](C)(C)C)=CC4=C3)OC2=C1	5049.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #4	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C(O)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	4933.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #40	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O[Si](C)(C)C)=CC4=C3)OC2=C1	5015.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #41	C[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O)=CC4=C3)OC2=C1	5120.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #42	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(C=C(O)C=C3O[Si](C)(C)C)OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)=C(O)C(O)=CC3=C2)=CC(O)=C1O	4981.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #43	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(C=C(O)C=C3O[Si](C)(C)C)OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O[Si](C)(C)C)C(O)=CC3=C2)=CC(O)=C1O	4930.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #44	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(C=C(O)C=C3O[Si](C)(C)C)OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O)C(O[Si](C)(C)C)=CC3=C2)=CC(O)=C1O	4998.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #45	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(C=C(O)C=C3O[Si](C)(C)C)OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O)C(O)=CC3=C2)=CC(O[Si](C)(C)C)=C1O	5045.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #46	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(C1=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O)C(O)=CC3=C1)O2	5023.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #47	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(C=C(O)C=C3O[Si](C)(C)C)OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=CC3=C2)=CC(O)=C1O	4957.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #48	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(C=C(O)C=C3O[Si](C)(C)C)OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=CC3=C2)=CC(O)=C1O	4999.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #49	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(C=C(O)C=C3O[Si](C)(C)C)OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O)C(O)=CC3=C2)=CC(O[Si](C)(C)C)=C1O	4987.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #5	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C(O)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	4921.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #50	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(C1=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O)C(O)=CC3=C1)O2	4963.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #51	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(C=C(O)C=C3O[Si](C)(C)C)OC2C2=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC3=C2)=CC(O)=C1O	4972.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #52	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(C=C(O)C=C3O[Si](C)(C)C)OC2C2=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C)C(O)=CC3=C2)=CC(O[Si](C)(C)C)=C1O	4961.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #53	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(C1=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C)C(O)=CC3=C1)O2	4939.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #54	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(C=C(O)C=C3O[Si](C)(C)C)OC2C2=CC(=O)C(O)=C3C(O)=C(O)C(O[Si](C)(C)C)=CC3=C2)=CC(O[Si](C)(C)C)=C1O	5016.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #55	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4CC3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C(O)=C2C(O)=C1O	4996.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #56	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(C1=CC(=O)C(O)=C3C(O)=C(O)C(O)=CC3=C1)O2	5086.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #57	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(C1=CC(=O)C(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)=C(O)C(O)=CC3=C1)O2	4942.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #58	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(C1=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O[Si](C)(C)C)C(O)=CC3=C1)O2	4914.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #59	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4CC3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C(O[Si](C)(C)C)=C2C(O)=C1O	4966.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #6	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O[Si](C)(C)C)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	4965.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #60	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(C1=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=CC3=C1)O2	4931.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #61	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4CC3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C(O)=C2C(O[Si](C)(C)C)=C1O	4966.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #62	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(C1=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC3=C1)O2	4945.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #63	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(C1=CC(=O)C(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=CC3=C1)O2	5023.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #64	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O[Si](C)(C)C)=C2C(O[Si](C)(C)C)=C1O	5062.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #65	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(C1=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC3=C1)O2	5033.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #66	C[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(C1=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC3=C1)O2	5071.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #67	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=CC3=C2)=CC(O)=C1O	5046.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #68	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=CC3=C2)=CC(O)=C1O	5096.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #69	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)=C(O)C(O)=CC3=C2)=CC(O[Si](C)(C)C)=C1O	5073.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #7	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C(O)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	4962.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #70	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)=C(O)C(O)=CC3=C2)=CC(O)=C1O[Si](C)(C)C	5048.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #71	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC3=C2)=CC(O)=C1O	5063.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #72	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O[Si](C)(C)C)C(O)=CC3=C2)=CC(O[Si](C)(C)C)=C1O	5024.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #73	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O[Si](C)(C)C)C(O)=CC3=C2)=CC(O)=C1O[Si](C)(C)C	4990.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #74	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O)C(O[Si](C)(C)C)=CC3=C2)=CC(O[Si](C)(C)C)=C1O	5096.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #75	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C(O[Si](C)(C)C)=C2C(O)=C1O	5073.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #76	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O)C(O)=CC3=C2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5101.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #77	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC3=C2)=CC(O)=C1O	5104.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #78	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=CC3=C2)=CC(O[Si](C)(C)C)=C1O	5052.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #79	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=CC3=C2)=CC(O)=C1O[Si](C)(C)C	5027.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #8	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C(O)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	4904.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #80	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=CC3=C2)=CC(O[Si](C)(C)C)=C1O	5116.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #81	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C(O)=C2C(O[Si](C)(C)C)=C1O	5092.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #82	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O)C(O)=CC3=C2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5097.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #83	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC3=C2)=CC(O[Si](C)(C)C)=C1O	5080.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #84	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC3=C2)=CC(O)=C1O[Si](C)(C)C	5052.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #85	C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C)C(O)=CC3=C2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5085.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #86	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(=O)C(O)=C2C(O)=C1O	5144.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #87	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=CC3=C2)C=C1O	5002.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #88	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C(O[Si](C)(C)C)=C2C(O[Si](C)(C)C)=C1O	5061.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #89	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C(O[Si](C)(C)C)=C2C(O)=C1O[Si](C)(C)C	5027.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #9	C[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C(O)=CC4=C3)O2)C(O[Si](C)(C)C)=C1	4955.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #90	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(=O)C(O)=C2C(O[Si](C)(C)C)=C1O[Si](C)(C)C	5096.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,4TMS,isomer #91	C[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O[Si](C)(C)C)=C2C(O[Si](C)(C)C)=C1O[Si](C)(C)C	5114.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O)=CC4=C3)OC2=C1	5805.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(C1=CC(=O)C(O)=C3C(O)=C(O)C(O)=CC3=C1)O2	5782.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O)C(O)=CC3=C2)=CC(O)=C1O	5817.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O)C(O)=CC3=C2)C=C1O	5817.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=C2C(O)=C(O)C(O)=CC2=CC(C2OC3=CC(O)=CC(O)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC1=O	5726.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O)=C12	5780.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=C(O)C2=C(O)C(=O)C=C(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)C=C2C=C1O	5770.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O)=C2C(O)=C1O	5836.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O)=CC4=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	5909.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(C1=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C3C(O)=C(O)C(O)=CC3=C1)O2	5866.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(C1=CC(=O)C(O)=C3C(O[Si](C)(C)C(C)(C)C)=C(O)C(O)=CC3=C1)O2	5874.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(C1=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=CC3=C1)O2	5869.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O)=C2C(O)=C1O	5935.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C3C(O)=C(O)C(O)=CC3=C2)=CC(O)=C1O	5896.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C(C)(C)C)=C(O)C(O)=CC3=C2)=CC(O)=C1O	5928.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=CC3=C2)=CC(O)=C1O	5954.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=CC3=C2)=CC(O)=C1O	5993.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O)C(O)=CC3=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O	5998.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O)C(O)=CC3=C2)=CC(O)=C1O[Si](C)(C)C(C)(C)C	5945.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C4C(O)=C(O)C(O)=CC4=C3)OC2=C1	5889.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C3C(O)=C(O)C(O)=CC3=C2)C=C1O	5915.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C(C)(C)C)=C(O)C(O)=CC3=C2)C=C1O	5965.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=CC3=C2)C=C1O	5985.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(=O)C(O)=C2C(O)=C1O	6033.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C2C(O)=C1O	5925.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=C(O)C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C=C(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)C=C2C=C1O	5867.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C12	5889.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)C2=C(O)C(=O)C=C(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)C=C2C=C1O	5885.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O)=C2C(O[Si](C)(C)C(C)(C)C)=C1O	5951.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O)=C2C(O)=C1O[Si](C)(C)C(C)(C)C	5917.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C(C)(C)C)=C(O)C(O)=CC4=C3)OC2=C1	5893.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=CC4=C3)OC2=C1	5903.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=CC4=C3)OC2=C1	5956.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O)=CC4=C3)OC2=C1	5950.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O)=CC4=C3)OC2=C1	5972.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)OC2C2=CC(=O)C(O)=C3C(O)=C(O)C(O)=CC3=C2)=CC(O)=C1O	5918.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(C1=CC(=O)C(O)=C3C(O)=C(O)C(O)=CC3=C1)O2	5936.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O)=CC4=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	5940.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(C3=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C4C(O)=C(O)C(O)=CC4=C3)OC2=C1	5952.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(C3=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C4C(O)=C(O)C(O)=CC4=C3)OC2=C1	5945.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O)=CC4=C3)OC2=C1	5914.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=CC4=C3)OC2=C1	6002.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C(C)(C)C)=C(O)C(O)=CC4=C3)OC2=C1	5934.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C(C)(C)C)=C(O)C(O)=CC4=C3)OC2=C1	5927.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC4=C3)OC2=C1	5966.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=CC4=C3)OC2=C1	5951.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=CC4=C3)OC2=C1	6002.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=CC4=C3)OC2=C1	5998.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O)=CC4=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	5916.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=CC4=C3)OC2=C1	6006.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O)=CC4=C3)OC2=C1	6033.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O)=CC4=C3)OC2=C1	5983.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)OC2C2=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C3C(O)=C(O)C(O)=CC3=C2)=CC(O)=C1O	5922.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C(C)(C)C)=C(O)C(O)=CC3=C2)=CC(O)=C1O	5897.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)OC2C2=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=CC3=C2)=CC(O)=C1O	5891.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)OC2C2=CC(=O)C(O)=C3C(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=CC3=C2)=CC(O)=C1O	5961.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)OC2C2=CC(=O)C(O)=C3C(O)=C(O)C(O)=CC3=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O	5992.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(C1=CC(=O)C(O)=C3C(O)=C(O)C(O)=CC3=C1)O2	5947.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(C1=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C3C(O)=C(O)C(O)=CC3=C1)O2	5915.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C4C(O)=C(O)C(O)=CC4=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	5912.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(C1=CC(=O)C(O)=C3C(O[Si](C)(C)C(C)(C)C)=C(O)C(O)=CC3=C1)O2	5883.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(C1=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=CC3=C1)O2	5918.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4CC3OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(=O)C(O)=C2C(O)=C1O	5958.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(C1=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C3C(O[Si](C)(C)C(C)(C)C)=C(O)C(O)=CC3=C1)O2	5909.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(C1=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C3C(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=CC3=C1)O2	5890.1	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C2C(O)=C1O	5956.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(C1=CC(=O)C(O)=C3C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O)=CC3=C1)O2	5888.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O)=C2C(O[Si](C)(C)C(C)(C)C)=C1O	5972.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1CC(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(C1=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC3=C1)O2	5931.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C3C(O[Si](C)(C)C(C)(C)C)=C(O)C(O)=CC3=C2)=CC(O)=C1O	5955.8	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O[Si](C)(C)C(C)(C)C)=C(O)C(O)=CC4=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	5896.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C3C(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=CC3=C2)=CC(O)=C1O	5948.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C3C(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=CC3=C2)=CC(O)=C1O	6005.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C3C(O)=C(O)C(O)=CC3=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O	6012.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C3C(O)=C(O)C(O)=CC3=C2)=CC(O)=C1O[Si](C)(C)C(C)(C)C	5972.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O)=CC3=C2)=CC(O)=C1O	5941.6	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=CC3=C2)=CC(O)=C1O	6027.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C(C)(C)C)=C(O)C(O)=CC3=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O	6009.4	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C(C)(C)C)=C(O)C(O)=CC3=C2)=CC(O)=C1O[Si](C)(C)C(C)(C)C	5964.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC3=C2)=CC(O)=C1O	5990.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=CC3=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O	6028.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=CC4=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	5877.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=CC3=C2)=CC(O)=C1O[Si](C)(C)C(C)(C)C	5986.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=CC3=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O	6076.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(=O)C(O)=C2C(O)=C1O	6040.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O)=C(O)C(O)=CC3=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	6023.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C3C(O[Si](C)(C)C(C)(C)C)=C(O)C(O)=CC3=C2)C=C1O	5958.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C3C(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=CC3=C2)C=C1O	5967.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C2C(O)=C1O	6026.3	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(=O)C(O)=C3C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O)=CC3=C2)C=C1O	5952.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(=O)C(O)=C2C(O[Si](C)(C)C(C)(C)C)=C1O	6044.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #59	CC(C)(C)[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(=O)C(O)=C2C(O)=C1O[Si](C)(C)C(C)(C)C	6007.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O)=C4C(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=CC4=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	5954.5	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #60	CC(C)(C)[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C2C(O[Si](C)(C)C(C)(C)C)=C1O	6012.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C2C(O)=C1O[Si](C)(C)C(C)(C)C	5976.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C=C(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)C=C2C=C1O	5946.2	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OC1=CC2=CC(C3OC4=CC(O)=CC(O)=C4CC3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(=O)C(O)=C2C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	5995.0	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C4C(O[Si](C)(C)C(C)(C)C)=C(O)C(O)=CC4=C3)OC2=C1	5929.7	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C4C(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=CC4=C3)OC2=C1	5925.9	Semi standard non polar	33892256
Epitheaflagallin 3-O-gallate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C4C(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=CC4=C3)OC2=C1	5977.4	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0umi-0913030000-113d4b6d76ae6d08d036	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (2 TMS) - 70eV, Positive	splash10-0udi-1900013000-ae095278af9db2d0f7ad	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS ("Epitheaflagallin 3-O-gallate,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epitheaflagallin 3-O-gallate GC-MS (TMS_2_15) - 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 - Epitheaflagallin 3-O-gallate 10V, Positive-QTOF	splash10-0udr-0912050000-afbb4a29d7c636b4aac9	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epitheaflagallin 3-O-gallate 20V, Positive-QTOF	splash10-0fki-0921010000-310e7573f4009113bfbc	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epitheaflagallin 3-O-gallate 40V, Positive-QTOF	splash10-0fe0-2910000000-dbac6cc9e59671352a90	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epitheaflagallin 3-O-gallate 10V, Negative-QTOF	splash10-0udi-0301090000-c785c19ae0c1db7c1140	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epitheaflagallin 3-O-gallate 20V, Negative-QTOF	splash10-0gdi-0912640000-787620a4cff786b4bdbf	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epitheaflagallin 3-O-gallate 40V, Negative-QTOF	splash10-00or-0900000000-c2ca2cb112be38bfc273	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epitheaflagallin 3-O-gallate 10V, Positive-QTOF	splash10-0uei-0218090000-fdcca2e9e56721640649	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epitheaflagallin 3-O-gallate 20V, Positive-QTOF	splash10-0uei-0809460000-07c47e330bf7a8d5a33b	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epitheaflagallin 3-O-gallate 40V, Positive-QTOF	splash10-017r-0921510000-ca85272f6eaa3538acf6	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epitheaflagallin 3-O-gallate 10V, Negative-QTOF	splash10-0udi-0103090000-d0c3fa14981693b8b25e	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epitheaflagallin 3-O-gallate 20V, Negative-QTOF	splash10-0v00-0932160000-93d8798f43e5dc1829ca	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epitheaflagallin 3-O-gallate 40V, Negative-QTOF	splash10-014i-0970310000-4d063b2464b44340fb31	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Membrane

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

FDB011312

KNApSAcK ID

C00009353

Chemspider ID

35013580

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14520971

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Epitheaflagallin 3-O-gallate (HMDB0033288)

MOL for HMDB0033288 (Epitheaflagallin 3-O-gallate)

3D MOL for HMDB0033288 (Epitheaflagallin 3-O-gallate)

3D SDF for HMDB0033288 (Epitheaflagallin 3-O-gallate)

3D-SDF for HMDB0033288 (Epitheaflagallin 3-O-gallate)

PDB for HMDB0033288 (Epitheaflagallin 3-O-gallate)

3D PDB for HMDB0033288 (Epitheaflagallin 3-O-gallate)

SMILES for HMDB0033288 (Epitheaflagallin 3-O-gallate)

INCHI for HMDB0033288 (Epitheaflagallin 3-O-gallate)

Structure for HMDB0033288 (Epitheaflagallin 3-O-gallate)

3D Structure for HMDB0033288 (Epitheaflagallin 3-O-gallate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra