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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:40:00 UTC

Update Date

2022-03-07 02:55:44 UTC

HMDB ID

HMDB0038364

Secondary Accession Numbers

HMDB38364

Metabolite Identification

Common Name

(-)-Epigallocatechin 3,5-di-gallate

Description

(-)-Epigallocatechin 3,5-di-gallate belongs to the class of organic compounds known as catechin gallates. These are organic compounds containing a gallate moiety glycosidically linked to a catechin (-)-Epigallocatechin 3,5-di-gallate is found, on average, in the highest concentration within a few different foods, such as teas (Camellia sinensis), red tea, and herbal tea and in a lower concentration in green tea and black tea. This could make (-)-epigallocatechin 3,5-di-gallate a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on (-)-Epigallocatechin 3,5-di-gallate.

Structure

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


  Mrv0541 02241211532D          

 44 48  0  0  0  0            999 V2000
   -3.0054    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7198   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7198   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0054   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2909   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2909   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5764    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5764   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8620   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8620   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1475    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5670    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1475    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5670   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2814    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2814    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7199   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4344   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0054   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
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 33 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
M  END

HMDB0038364
     RDKit          3D
(-)-Epigallocatechin 3,5-di-gallate
 66 70  0  0  0  0  0  0  0  0999 V2000
    2.4537   -1.3791   -2.4096 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2480   -0.9137   -1.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7878   -6.3820   -0.0287 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0609   -4.9351    0.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3033   -2.2519    1.5470 C   0  0  1  0  0  0  0  0  0  0  0  0
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 44 66  1  0
M  END


  Mrv0541 02241211532D          

 44 48  0  0  0  0            999 V2000
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   -3.7199   -6.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1488   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7199   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4344   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0054   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  7  6  1  0  0  0  0
  6  5  2  0  0  0  0
  5  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 13 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  2 18  1  0  0  0  0
  4 44  1  0  0  0  0
  9 30  1  6  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 15 31  1  0  0  0  0
 12 32  1  0  0  0  0
 33 34  2  0  0  0  0
 33 38  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
 37 41  1  0  0  0  0
 33 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038364

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C29H22O15/c30-13-7-21-14(22(8-13)43-28(40)11-3-17(33)25(38)18(34)4-11)9-23(27(42-21)10-1-15(31)24(37)16(32)2-10)44-29(41)12-5-19(35)26(39)20(36)6-12/h1-8,23,27,30-39H,9H2/t23-,27-/m1/s1

> <INCHI_KEY>
RKUDRJTZBDEGNP-YIXXDRMTSA-N

> <FORMULA>
C29H22O15

> <MOLECULAR_WEIGHT>
610.476

> <EXACT_MASS>
610.095870034

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
57.37134748477385

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R)-7-hydroxy-5-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

> <ALOGPS_LOGP>
3.12

> <JCHEM_LOGP>
4.130450346666667

> <ALOGPS_LOGS>
-4.16

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.30404641546072

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.752263476465176

> <JCHEM_PKA_STRONGEST_BASIC>
-5.54893135282379

> <JCHEM_POLAR_SURFACE_AREA>
264.12999999999994

> <JCHEM_REFRACTIVITY>
147.51000000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.25e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R)-7-hydroxy-5-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0038364
     RDKit          3D
(-)-Epigallocatechin 3,5-di-gallate
 66 70  0  0  0  0  0  0  0  0999 V2000
    2.4537   -1.3791   -2.4096 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2480   -0.9137   -1.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2911   -1.5953   -0.3340 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5665   -2.7147    0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0228   -4.0076   -0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2926   -5.1147    0.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7878   -6.3820   -0.0287 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0609   -4.9351    0.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5472   -3.6480    0.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3105   -2.5360    0.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8258   -1.1500    0.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3475   -1.0874    1.6465 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1366    0.0719    1.4381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3669    1.0692    2.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8274    0.9528    3.4702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1837    2.2430    2.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8332    2.4528    0.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5862    3.6030    0.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2229    3.7891   -0.5087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7230    4.5510    1.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4828    5.6961    1.5039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0780    4.3404    2.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2245    5.3071    3.8759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3265    3.1937    3.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3033   -2.2519    1.5470 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3464   -2.0386    0.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5731   -1.4825    0.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5398   -1.2883   -0.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7789   -0.7261    0.1651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3139   -1.6513   -1.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3184   -1.4407   -2.4174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000   -2.2052   -1.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7809   -2.5993   -3.0634 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1347   -2.3912   -0.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7027   -3.5056    1.4725 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0603    0.2684   -1.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8909    0.7140   -0.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7014    1.8292   -0.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5320    2.2604    0.0796 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6961    2.5450   -2.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5268    3.6560   -2.2475 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8653    2.0973   -3.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8305    2.7866   -4.3589 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0592    0.9730   -2.9619 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0113   -4.1220   -0.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6269   -6.8841   -0.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4594   -5.7844    0.9949 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6628   -0.5700    1.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5075   -0.7486   -0.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0741   -1.1018    2.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7069    1.6924    0.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7797    4.6066   -0.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5790    6.3886    2.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7993    5.2602    4.7917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8343    3.0629    4.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8371   -2.2491    2.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7476   -1.1987    1.8567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0220   -0.4346    1.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1964   -1.6872   -3.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4481   -2.4828   -3.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2127   -2.8230   -1.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9269    0.1797    0.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1216    3.0688   -0.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6104    4.2374   -3.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4045    3.5880   -4.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4197    0.6461   -3.7557 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  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  2  0
 12 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  2  0
 25 35  1  0
  2 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  1  0
 38 40  2  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 42 44  2  0
 10  4  1  0
 24 16  1  0
 34 26  1  0
 44 36  1  0
 35  9  1  0
  5 45  1  0
  7 46  1  0
  8 47  1  0
 11 48  1  0
 11 49  1  0
 12 50  1  1
 17 51  1  0
 19 52  1  0
 21 53  1  0
 23 54  1  0
 24 55  1  0
 25 56  1  1
 27 57  1  0
 29 58  1  0
 31 59  1  0
 33 60  1  0
 34 61  1  0
 37 62  1  0
 39 63  1  0
 41 64  1  0
 43 65  1  0
 44 66  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -5.610   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.944  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.944  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.610  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.276  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.276  -0.770   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -2.943   0.000   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -2.943  -3.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.609  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.609  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.275   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.058   2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.275   1.540   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.058  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.392   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.392   1.540   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       3.726   2.310   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -8.277   0.000   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       1.058  -5.390   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.275  -6.160   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -0.275  -7.700   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.058  -8.470   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.392  -7.700   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.392  -6.160   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -1.609  -8.470   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       1.058 -10.010   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       3.726  -8.470   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       1.058  -3.850   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       2.392  -3.080   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -0.275  -3.080   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       3.726  -0.770   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       1.058   3.850   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -6.944  -6.930   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -5.610  -7.700   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -5.610  -9.240   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -6.944 -10.010   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -8.278  -9.240   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -8.278  -7.700   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -4.277 -10.010   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -6.944 -11.550   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -9.611 -10.010   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -6.944  -5.390   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      -8.278  -4.620   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0      -5.610  -4.620   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   18                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   44                                                  
CONECT    5    4    6    8                                                  
CONECT    6    1    7    5                                                  
CONECT    7    6   10                                                       
CONECT    8    5    9                                                       
CONECT    9    8   10   30                                                  
CONECT   10    7    9   11                                                  
CONECT   11   10   13   14                                                  
CONECT   12   13   16   32                                                  
CONECT   13   11   12                                                       
CONECT   14   11   15                                                       
CONECT   15   14   16   31                                                  
CONECT   16   12   15   17                                                  
CONECT   17   16                                                            
CONECT   18    2                                                            
CONECT   19   20   24   28                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   25                                                  
CONECT   22   21   23   26                                                  
CONECT   23   22   24   27                                                  
CONECT   24   19   23                                                       
CONECT   25   21                                                            
CONECT   26   22                                                            
CONECT   27   23                                                            
CONECT   28   19   29   30                                                  
CONECT   29   28                                                            
CONECT   30    9   28                                                       
CONECT   31   15                                                            
CONECT   32   12                                                            
CONECT   33   34   38   42                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   39                                                  
CONECT   36   35   37   40                                                  
CONECT   37   36   38   41                                                  
CONECT   38   33   37                                                       
CONECT   39   35                                                            
CONECT   40   36                                                            
CONECT   41   37                                                            
CONECT   42   33   43   44                                                  
CONECT   43   42                                                            
CONECT   44    4   42                                                       
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

COMPND    HMDB0038364
HETATM    1  O1  UNL     1       2.454  -1.379  -2.410  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.248  -0.914  -1.534  1.00  0.00           C  
HETATM    3  O2  UNL     1       3.291  -1.595  -0.334  1.00  0.00           O  
HETATM    4  C2  UNL     1       2.567  -2.715   0.006  1.00  0.00           C  
HETATM    5  C3  UNL     1       3.023  -4.008  -0.174  1.00  0.00           C  
HETATM    6  C4  UNL     1       2.293  -5.115   0.169  1.00  0.00           C  
HETATM    7  O3  UNL     1       2.788  -6.382  -0.029  1.00  0.00           O  
HETATM    8  C5  UNL     1       1.061  -4.935   0.713  1.00  0.00           C  
HETATM    9  C6  UNL     1       0.547  -3.648   0.919  1.00  0.00           C  
HETATM   10  C7  UNL     1       1.311  -2.536   0.559  1.00  0.00           C  
HETATM   11  C8  UNL     1       0.826  -1.150   0.733  1.00  0.00           C  
HETATM   12  C9  UNL     1      -0.348  -1.087   1.646  1.00  0.00           C  
HETATM   13  O4  UNL     1      -1.137   0.072   1.438  1.00  0.00           O  
HETATM   14  C10 UNL     1      -1.367   1.069   2.340  1.00  0.00           C  
HETATM   15  O5  UNL     1      -0.827   0.953   3.470  1.00  0.00           O  
HETATM   16  C11 UNL     1      -2.184   2.243   2.085  1.00  0.00           C  
HETATM   17  C12 UNL     1      -2.833   2.453   0.872  1.00  0.00           C  
HETATM   18  C13 UNL     1      -3.586   3.603   0.709  1.00  0.00           C  
HETATM   19  O6  UNL     1      -4.223   3.789  -0.509  1.00  0.00           O  
HETATM   20  C14 UNL     1      -3.723   4.551   1.691  1.00  0.00           C  
HETATM   21  O7  UNL     1      -4.483   5.696   1.504  1.00  0.00           O  
HETATM   22  C15 UNL     1      -3.078   4.340   2.892  1.00  0.00           C  
HETATM   23  O8  UNL     1      -3.225   5.307   3.876  1.00  0.00           O  
HETATM   24  C16 UNL     1      -2.327   3.194   3.058  1.00  0.00           C  
HETATM   25  C17 UNL     1      -1.303  -2.252   1.547  1.00  0.00           C  
HETATM   26  C18 UNL     1      -2.346  -2.039   0.526  1.00  0.00           C  
HETATM   27  C19 UNL     1      -3.573  -1.483   0.821  1.00  0.00           C  
HETATM   28  C20 UNL     1      -4.540  -1.288  -0.139  1.00  0.00           C  
HETATM   29  O9  UNL     1      -5.779  -0.726   0.165  1.00  0.00           O  
HETATM   30  C21 UNL     1      -4.314  -1.651  -1.464  1.00  0.00           C  
HETATM   31  O10 UNL     1      -5.318  -1.441  -2.417  1.00  0.00           O  
HETATM   32  C22 UNL     1      -3.100  -2.205  -1.773  1.00  0.00           C  
HETATM   33  O11 UNL     1      -2.781  -2.599  -3.063  1.00  0.00           O  
HETATM   34  C23 UNL     1      -2.135  -2.391  -0.777  1.00  0.00           C  
HETATM   35  O12 UNL     1      -0.703  -3.506   1.472  1.00  0.00           O  
HETATM   36  C24 UNL     1       4.060   0.268  -1.790  1.00  0.00           C  
HETATM   37  C25 UNL     1       4.891   0.714  -0.790  1.00  0.00           C  
HETATM   38  C26 UNL     1       5.701   1.829  -0.944  1.00  0.00           C  
HETATM   39  O13 UNL     1       6.532   2.260   0.080  1.00  0.00           O  
HETATM   40  C27 UNL     1       5.696   2.545  -2.143  1.00  0.00           C  
HETATM   41  O14 UNL     1       6.527   3.656  -2.248  1.00  0.00           O  
HETATM   42  C28 UNL     1       4.865   2.097  -3.140  1.00  0.00           C  
HETATM   43  O15 UNL     1       4.831   2.787  -4.359  1.00  0.00           O  
HETATM   44  C29 UNL     1       4.059   0.973  -2.962  1.00  0.00           C  
HETATM   45  H1  UNL     1       4.011  -4.122  -0.610  1.00  0.00           H  
HETATM   46  H2  UNL     1       2.627  -6.884  -0.897  1.00  0.00           H  
HETATM   47  H3  UNL     1       0.459  -5.784   0.995  1.00  0.00           H  
HETATM   48  H4  UNL     1       1.663  -0.570   1.172  1.00  0.00           H  
HETATM   49  H5  UNL     1       0.507  -0.749  -0.253  1.00  0.00           H  
HETATM   50  H6  UNL     1       0.074  -1.102   2.689  1.00  0.00           H  
HETATM   51  H7  UNL     1      -2.707   1.692   0.121  1.00  0.00           H  
HETATM   52  H8  UNL     1      -4.780   4.607  -0.677  1.00  0.00           H  
HETATM   53  H9  UNL     1      -4.579   6.389   2.227  1.00  0.00           H  
HETATM   54  H10 UNL     1      -2.799   5.260   4.792  1.00  0.00           H  
HETATM   55  H11 UNL     1      -1.834   3.063   4.014  1.00  0.00           H  
HETATM   56  H12 UNL     1      -1.837  -2.249   2.556  1.00  0.00           H  
HETATM   57  H13 UNL     1      -3.748  -1.199   1.857  1.00  0.00           H  
HETATM   58  H14 UNL     1      -6.022  -0.435   1.108  1.00  0.00           H  
HETATM   59  H15 UNL     1      -5.196  -1.687  -3.377  1.00  0.00           H  
HETATM   60  H16 UNL     1      -3.448  -2.483  -3.792  1.00  0.00           H  
HETATM   61  H17 UNL     1      -1.213  -2.823  -1.068  1.00  0.00           H  
HETATM   62  H18 UNL     1       4.927   0.180   0.172  1.00  0.00           H  
HETATM   63  H19 UNL     1       7.122   3.069  -0.034  1.00  0.00           H  
HETATM   64  H20 UNL     1       6.610   4.237  -3.037  1.00  0.00           H  
HETATM   65  H21 UNL     1       5.405   3.588  -4.493  1.00  0.00           H  
HETATM   66  H22 UNL     1       3.420   0.646  -3.756  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   36
CONECT    3    4
CONECT    4    5    5   10
CONECT    5    6   45
CONECT    6    7    8    8
CONECT    7   46
CONECT    8    9   47
CONECT    9   10   10   35
CONECT   10   11
CONECT   11   12   48   49
CONECT   12   13   25   50
CONECT   13   14
CONECT   14   15   15   16
CONECT   16   17   17   24
CONECT   17   18   51
CONECT   18   19   20   20
CONECT   19   52
CONECT   20   21   22
CONECT   21   53
CONECT   22   23   24   24
CONECT   23   54
CONECT   24   55
CONECT   25   26   35   56
CONECT   26   27   27   34
CONECT   27   28   57
CONECT   28   29   30   30
CONECT   29   58
CONECT   30   31   32
CONECT   31   59
CONECT   32   33   34   34
CONECT   33   60
CONECT   34   61
CONECT   36   37   37   44
CONECT   37   38   62
CONECT   38   39   40   40
CONECT   39   63
CONECT   40   41   42
CONECT   41   64
CONECT   42   43   44   44
CONECT   43   65
CONECT   44   66
END

HMDB0038364
     RDKit          3D
(-)-Epigallocatechin 3,5-di-gallate
 66 70  0  0  0  0  0  0  0  0999 V2000
    2.4537   -1.3791   -2.4096 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2480   -0.9137   -1.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2911   -1.5953   -0.3340 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5665   -2.7147    0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0228   -4.0076   -0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2926   -5.1147    0.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7878   -6.3820   -0.0287 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0609   -4.9351    0.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5472   -3.6480    0.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3105   -2.5360    0.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8258   -1.1500    0.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3475   -1.0874    1.6465 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1366    0.0719    1.4381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3669    1.0692    2.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8274    0.9528    3.4702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1837    2.2430    2.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8332    2.4528    0.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5862    3.6030    0.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2229    3.7891   -0.5087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7230    4.5510    1.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4828    5.6961    1.5039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0780    4.3404    2.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2245    5.3071    3.8759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3265    3.1937    3.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3033   -2.2519    1.5470 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3464   -2.0386    0.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5731   -1.4825    0.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5398   -1.2883   -0.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7789   -0.7261    0.1651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3139   -1.6513   -1.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3184   -1.4407   -2.4174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000   -2.2052   -1.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7809   -2.5993   -3.0634 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1347   -2.3912   -0.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7027   -3.5056    1.4725 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0603    0.2684   -1.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8909    0.7140   -0.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7014    1.8292   -0.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5320    2.2604    0.0796 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6961    2.5450   -2.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5268    3.6560   -2.2475 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8653    2.0973   -3.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8305    2.7866   -4.3589 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0592    0.9730   -2.9619 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0113   -4.1220   -0.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6269   -6.8841   -0.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4594   -5.7844    0.9949 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6628   -0.5700    1.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5075   -0.7486   -0.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0741   -1.1018    2.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7069    1.6924    0.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7797    4.6066   -0.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5790    6.3886    2.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7993    5.2602    4.7917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8343    3.0629    4.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8371   -2.2491    2.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7476   -1.1987    1.8567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0220   -0.4346    1.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1964   -1.6872   -3.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4481   -2.4828   -3.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2127   -2.8230   -1.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9269    0.1797    0.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1216    3.0688   -0.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6104    4.2374   -3.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4045    3.5880   -4.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4197    0.6461   -3.7557 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  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  2  0
 12 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  2  0
 25 35  1  0
  2 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  1  0
 38 40  2  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 42 44  2  0
 10  4  1  0
 24 16  1  0
 34 26  1  0
 44 36  1  0
 35  9  1  0
  5 45  1  0
  7 46  1  0
  8 47  1  0
 11 48  1  0
 11 49  1  0
 12 50  1  1
 17 51  1  0
 19 52  1  0
 21 53  1  0
 23 54  1  0
 24 55  1  0
 25 56  1  1
 27 57  1  0
 29 58  1  0
 31 59  1  0
 33 60  1  0
 34 61  1  0
 37 62  1  0
 39 63  1  0
 41 64  1  0
 43 65  1  0
 44 66  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
(-)-Epigallocatechin 3,5-di-gallic acid	Generator
3,5-Di-O-galloylepigallocatechin	HMDB
Epigallocatechin 3,5-di-gallate	HMDB
Epigallocatechin 3,5-di-O-gallate	HMDB
Epigallocatechin 3,5,-di-O-gallic acid	Generator
Epigallocatechin 3,5-digallic acid	Generator

Chemical Formula

C₂₉H₂₂O₁₅

Average Molecular Weight

610.476

Monoisotopic Molecular Weight

610.095870034

IUPAC Name

(2R,3R)-7-hydroxy-5-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

Traditional Name

(2R,3R)-7-hydroxy-5-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

CAS Registry Number

37484-73-4

SMILES

OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1

InChI Identifier

InChI=1S/C29H22O15/c30-13-7-21-14(22(8-13)43-28(40)11-3-17(33)25(38)18(34)4-11)9-23(27(42-21)10-1-15(31)24(37)16(32)2-10)44-29(41)12-5-19(35)26(39)20(36)6-12/h1-8,23,27,30-39H,9H2/t23-,27-/m1/s1

InChI Key

RKUDRJTZBDEGNP-YIXXDRMTSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as catechin gallates. These are organic compounds containing a gallate moiety glycosidically linked to a catechin.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

Catechin gallates

Alternative Parents

Substituents

Catechin gallate
Epigallocatechin
3'-hydroxyflavonoid
4'-hydroxyflavonoid
7-hydroxyflavonoid
Hydroxyflavonoid
Galloyl ester
Gallic acid or derivatives
P-hydroxybenzoic acid alkyl ester
M-hydroxybenzoic acid ester
P-hydroxybenzoic acid ester
Benzoate ester
Chromane
Benzopyran
1-benzopyran
Pyrogallol derivative
Benzenetriol
Benzoic acid or derivatives
Benzoyl
Phenol
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
Dicarboxylic acid or derivatives
Carboxylic acid ester
Organoheterocyclic compound
Ether
Oxacycle
Polyol
Carboxylic acid derivative
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Flavans, Flavanols and Leucoanthocyanidins (LMPK12020125 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Membrane (HMDB: HMDB0038364)
Cell membrane (HMDB: HMDB0038364)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0038364)

Source

Exogenous

Exogenous (HMDB: HMDB0038364)

Food

Food (HMDB: HMDB0038364)

Tea

Endogenous

Plant

Plant (HMDB: HMDB0038364)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0038364)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.042 g/L	ALOGPS
logP	3.12	ALOGPS
logP	4.13	ChemAxon
logS	-4.2	ALOGPS
pKa (Strongest Acidic)	7.75	ChemAxon
pKa (Strongest Basic)	-5.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	264.13 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	147.51 m³·mol⁻¹	ChemAxon
Polarizability	57.37 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	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	236.704	31661259
DarkChem	[M-H]-	224.144	31661259
DeepCCS	[M+H]+	241.969	30932474
DeepCCS	[M-H]-	240.074	30932474
DeepCCS	[M-2H]-	273.973	30932474
DeepCCS	[M+Na]+	247.872	30932474
AllCCS	[M+H]+	234.0	32859911
AllCCS	[M+H-H2O]+	232.7	32859911
AllCCS	[M+NH4]+	235.3	32859911
AllCCS	[M+Na]+	235.6	32859911
AllCCS	[M-H]-	226.1	32859911
AllCCS	[M+Na-2H]-	227.2	32859911
AllCCS	[M+HCOO]-	228.5	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022.	4.47 minutes	32390414
Predicted by Siyang on May 30, 2022	12.9175 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	4.36 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	70.4 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	1728.2 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	150.7 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	102.1 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	107.3 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	164.7 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	821.0 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	510.7 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	704.7 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	814.2 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	399.3 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	1591.6 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	287.9 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	408.2 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	495.0 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	426.3 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	553.4 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(-)-Epigallocatechin 3,5-di-gallate	OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1	8168.7	Standard polar	33892256
(-)-Epigallocatechin 3,5-di-gallate	OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1	5292.2	Standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate	OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1	5992.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(-)-Epigallocatechin 3,5-di-gallate,1TMS,isomer #1	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5882.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,1TMS,isomer #2	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O	5937.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,1TMS,isomer #3	C[Si](C)(C)OC1=C(O)C=C(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O)=C2)C=C1O	5876.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,1TMS,isomer #4	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O	5922.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,1TMS,isomer #5	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O	5876.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,1TMS,isomer #6	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)=CC(O)=C1O	5933.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,1TMS,isomer #7	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)C=C1O	5872.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #1	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5666.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #10	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O	5636.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #11	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O	5712.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #12	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O[Si](C)(C)C	5670.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #13	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)=CC(O)=C1O	5636.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #14	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)C=C1O	5588.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #15	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O	5616.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #16	C[Si](C)(C)OC1=C(O)C=C(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C=C1O	5585.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #17	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)O3)=CC(O)=C1O	5638.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #18	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O	5617.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #19	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O	5697.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #2	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5644.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #20	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O[Si](C)(C)C	5668.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #21	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)O3)=CC(O)=C1O	5633.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #22	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)O3)C=C1O	5582.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #23	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)=CC(O[Si](C)(C)C)=C1O	5707.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #24	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)=CC(O)=C1O[Si](C)(C)C	5664.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #3	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5658.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #4	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	5636.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #5	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5666.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #6	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5641.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #7	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)=CC(O)=C1O	5654.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #8	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O	5639.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TMS,isomer #9	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5642.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #1	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5532.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #10	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5417.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #11	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5518.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #12	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	5493.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #13	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5485.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #14	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5440.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #15	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	5450.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #16	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	5419.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #17	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5535.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #18	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5493.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #19	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)=CC(O)=C1O	5543.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #2	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5491.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #20	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)=CC(O)=C1O	5486.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #21	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)O3)=CC(O)=C1O	5479.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #22	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)O3)=CC(O)=C1O	5438.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #23	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O	5542.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #24	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O	5485.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #25	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5430.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #26	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O	5397.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #27	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O	5504.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #28	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O[Si](C)(C)C	5452.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #29	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5517.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #3	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5483.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #30	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5486.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #31	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5532.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #32	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5476.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #33	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O[Si](C)(C)C)=C1O	5502.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #34	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O[Si](C)(C)C	5453.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #35	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5540.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #36	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)O3)=CC(O)=C1O	5424.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #37	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)O3)=CC(O)=C1O	5391.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #38	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)=CC(O[Si](C)(C)C)=C1O	5497.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #39	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)=CC(O)=C1O[Si](C)(C)C	5448.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #4	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	5448.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #40	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O	5385.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #41	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)O3)C=C1O	5353.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #42	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O[Si](C)(C)C)=C1O	5475.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #43	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O[Si](C)(C)C	5452.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #44	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)O3)=CC(O)=C1O	5515.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #45	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)=CC(O)=C1O	5483.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #46	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O	5530.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #47	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O	5473.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #48	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O	5477.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #49	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O[Si](C)(C)C	5454.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #5	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5495.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #50	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5547.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #51	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)O3)=CC(O[Si](C)(C)C)=C1O	5498.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #52	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)O3)=CC(O)=C1O[Si](C)(C)C	5450.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #53	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5534.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #6	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5450.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #7	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5440.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #8	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	5419.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,3TMS,isomer #9	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5452.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #1	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5443.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #10	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5375.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #11	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	5357.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #12	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5314.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #13	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5221.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #14	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	5237.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #15	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	5163.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #16	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5392.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #17	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5358.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #18	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5312.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #19	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	5291.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #2	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5380.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #20	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5224.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #21	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5151.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #22	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	5167.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #23	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	5240.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #24	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5328.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #25	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5294.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #26	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	5450.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #27	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5377.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #28	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5311.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #29	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	5360.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #3	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	5323.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #30	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	5291.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #31	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5382.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #32	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5350.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #33	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	5327.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #34	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	5294.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #35	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5444.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #36	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)=CC(O)=C1O	5426.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #37	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)O3)=CC(O)=C1O	5337.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #38	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)O3)=CC(O)=C1O	5261.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #39	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)=CC(O[Si](C)(C)C)=C1O	5430.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #4	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5392.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #40	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O	5393.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #41	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)O3)=CC(O)=C1O	5301.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #42	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)O3)=CC(O)=C1O	5233.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #43	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)=CC(O[Si](C)(C)C)=C1O	5391.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #44	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)=CC(O)=C1O[Si](C)(C)C	5355.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #45	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)O3)=CC(O)=C1O	5329.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #46	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)=CC(O)=C1O	5316.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #47	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5339.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #48	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5303.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #49	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O	5261.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #5	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5323.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #50	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O	5234.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #51	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O	5425.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #52	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5244.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #53	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5236.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #54	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5254.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #55	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5224.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #56	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O[Si](C)(C)C)=C1O	5206.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #57	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O[Si](C)(C)C	5172.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #58	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5383.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #59	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5428.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #6	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5349.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #60	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=CC(O[Si](C)(C)C)=C1O	5411.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #61	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[Si](C)(C)C)=C1O	5375.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #62	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[Si](C)(C)C)=C1O	5394.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #63	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O)=C1O[Si](C)(C)C	5357.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #64	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5420.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #65	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5385.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #66	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)O3)=CC(O)=C1O	5240.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #67	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)=CC(O)=C1O	5230.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #68	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O	5249.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #69	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O	5219.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #7	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	5290.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #70	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)O3)=CC(O[Si](C)(C)C)=C1O	5201.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #71	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)O3)=CC(O)=C1O[Si](C)(C)C	5168.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #72	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5378.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #73	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O[Si](C)(C)C)=C1O	5193.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #74	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O)=C1O[Si](C)(C)C	5174.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #75	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5386.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #76	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)=CC(O)=C1O	5424.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #77	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)O3)=CC(O[Si](C)(C)C)=C1O	5406.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #78	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O	5374.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #79	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)=CC(O[Si](C)(C)C)=C1O	5389.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #8	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5358.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #80	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)=CC(O)=C1O[Si](C)(C)C	5353.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #81	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O	5416.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #82	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5388.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #83	C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5381.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,4TMS,isomer #9	C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5289.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	6129.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O	6162.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O)=C2)C=C1O	6170.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O	6159.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O	6172.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)=CC(O)=C1O	6158.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)C=C1O	6166.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	6221.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=CC(O)=C1O	6226.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O	6276.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O[Si](C)(C)C(C)(C)C	6220.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)=CC(O)=C1O	6231.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)C=C1O	6233.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=CC(O)=C1O	6221.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C=C1O	6230.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)O3)=CC(O)=C1O	6225.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O	6221.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O	6253.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	6201.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O[Si](C)(C)C(C)(C)C	6221.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)O3)=CC(O)=C1O	6223.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)O3)C=C1O	6227.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)=CC(O[Si](C)(C)C(C)(C)C)=C1O	6270.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)=CC(O)=C1O[Si](C)(C)C(C)(C)C	6217.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	6213.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C1	6193.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	6222.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	6200.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2C[C@@H](OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@@H](C2=CC(O)=C(O)C(O)=C2)O3)=CC(O)=C1O	6237.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O)=C2)=CC(O)=C1O	6233.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,5-di-gallate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=CC(O)=C1O	6227.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0udi-0900400000-b5b2eecea30dfc223bec	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (1 TMS) - 70eV, Positive	splash10-0udi-0900020000-760610c67758ca64bff4	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate GC-MS (TMS_2_17) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate 10V, Positive-QTOF	splash10-01ox-0490414000-a6c44131767f4860ffe6	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate 20V, Positive-QTOF	splash10-0uml-0890210000-62761409767e43012b32	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate 40V, Positive-QTOF	splash10-0udi-0920000000-f6c66e59023789d45581	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate 10V, Negative-QTOF	splash10-0a4i-0100319000-979534e45c678647fdb2	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate 20V, Negative-QTOF	splash10-066r-0924332000-d48eba35547b21b9eb87	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate 40V, Negative-QTOF	splash10-016r-0931000000-2119755045e942ef6ed1	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate 10V, Negative-QTOF	splash10-0a4i-0200908000-e5ad75827542ac3d75cb	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate 20V, Negative-QTOF	splash10-0fvi-0900220000-ccaecfd3aca8fbc9abbd	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate 40V, Negative-QTOF	splash10-00or-1901180000-cbb91df94d2b15315b9a	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate 10V, Positive-QTOF	splash10-01p6-0201926000-0a643beeae6b17eb01dc	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate 20V, Positive-QTOF	splash10-0ikl-1901754000-2a4f6190c05ca5192eec	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,5-di-gallate 40V, Positive-QTOF	splash10-0ufr-1954151000-dda665dd57fc6073d013	2021-09-22	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

FDB017704

KNApSAcK ID

C00008887

Chemspider ID

410663

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

467299

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 (-)-Epigallocatechin 3,5-di-gallate (HMDB0038364)

MOL for HMDB0038364 ((-)-Epigallocatechin 3,5-di-gallate)

3D MOL for HMDB0038364 ((-)-Epigallocatechin 3,5-di-gallate)

3D SDF for HMDB0038364 ((-)-Epigallocatechin 3,5-di-gallate)

3D-SDF for HMDB0038364 ((-)-Epigallocatechin 3,5-di-gallate)

PDB for HMDB0038364 ((-)-Epigallocatechin 3,5-di-gallate)

3D PDB for HMDB0038364 ((-)-Epigallocatechin 3,5-di-gallate)

SMILES for HMDB0038364 ((-)-Epigallocatechin 3,5-di-gallate)

INCHI for HMDB0038364 ((-)-Epigallocatechin 3,5-di-gallate)

Structure for HMDB0038364 ((-)-Epigallocatechin 3,5-di-gallate)

3D Structure for HMDB0038364 ((-)-Epigallocatechin 3,5-di-gallate)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra