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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:42:27 UTC

Update Date

2022-03-07 02:56:09 UTC

HMDB ID

HMDB0039297

Secondary Accession Numbers

HMDB39297

Metabolite Identification

Common Name

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

Description

(-)-Epigallocatechin 3,3'-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 3,3'-di-gallate has been detected, but not quantified in, several different foods, such as black tea, green tea, herbal tea, red tea, and teas (Camellia sinensis). This could make (-)-epigallocatechin 3,3'-di-gallate a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on (-)-Epigallocatechin 3,3'-di-gallate.

Structure

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


  Mrv0541 02241211102D          

 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
    1.9959    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4343    0.0000    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
    0.5670   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1475   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1475   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2815   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8620   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2815   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1475   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9959   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6705    2.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3205    1.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1456    2.7770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3205    4.2059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1545    2.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5670    3.4915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5670    2.0625    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
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 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

HMDB0039297
     RDKit          3D
(-)-Epigallocatechin 3,3'-di-gallate
 66 70  0  0  0  0  0  0  0  0999 V2000
    1.5880    2.0152    1.0721 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6620    1.7946    0.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9568    0.5010    0.1122 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1160   -0.5830    0.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1581   -0.9751   -0.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3230   -2.0599   -0.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7056   -2.4920   -1.3254 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7410   -3.8691   -1.5338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7062   -4.7426   -1.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6304   -6.0985   -1.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6311   -6.9473   -0.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5928   -8.3178   -1.2287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6982   -6.4460   -0.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7600   -5.0979    0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8449   -4.6344    0.7561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7772   -4.2555   -0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8735   -2.8286   -0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0726   -1.9419   -1.0176 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0147   -0.6671   -0.4106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5634    0.4812   -0.9214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1681    0.3915   -2.0214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4786    1.7825   -0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8233    1.9078    0.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7452    3.1475    1.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0820    3.2429    2.7867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3232    4.2590    0.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2755    5.5024    1.5711 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5669    5.2823   -0.7964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0416    2.9135   -0.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4965   -2.7335    0.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4521   -2.3535    1.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6271   -3.0310    2.9588 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2761   -1.2679    1.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2430   -0.8747    2.4420 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3594    4.1583    0.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2898    5.1408    0.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0658    6.4631    0.6649 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4815    4.8491   -0.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4224    5.8162   -0.6260 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9298    3.1953   -1.3634 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8072    2.5905   -0.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0584   -0.4155   -1.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1130   -3.5897    1.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0251   -3.8239    3.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3408   -1.3890    3.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2203    6.7619   -0.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6483    3.8387   -1.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 33 60  1  0
 35 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


  Mrv0541 02241211102D          

 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
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   -3.1456    2.7770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3205    4.2059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1545    2.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5670    3.4915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5670    2.0625    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 19  1  0  0  0  0
 12 44  1  0  0  0  0
  9 31  1  6  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 20 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 15 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>
HMDB0039297

> <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(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)C(O)=C1

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

> <INCHI_KEY>
LGGSDHMXURUIDJ-YIXXDRMTSA-N

> <FORMULA>
C29H22O15

> <MOLECULAR_WEIGHT>
610.476

> <EXACT_MASS>
610.095870034

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
57.74838033514176

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R)-2-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)phenyl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

> <ALOGPS_LOGP>
3.12

> <JCHEM_LOGP>
4.780450346666667

> <ALOGPS_LOGS>
-4.15

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.31610792322014

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.7565176802180105

> <JCHEM_PKA_STRONGEST_BASIC>
-4.669990136244807

> <JCHEM_POLAR_SURFACE_AREA>
264.12999999999994

> <JCHEM_REFRACTIVITY>
147.51000000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.30e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R)-2-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)phenyl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0039297
     RDKit          3D
(-)-Epigallocatechin 3,3'-di-gallate
 66 70  0  0  0  0  0  0  0  0999 V2000
    1.5880    2.0152    1.0721 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6620    1.7946    0.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9568    0.5010    0.1122 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1160   -0.5830    0.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1581   -0.9751   -0.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3230   -2.0599   -0.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7056   -2.4920   -1.3254 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7410   -3.8691   -1.5338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7062   -4.7426   -1.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6304   -6.0985   -1.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6311   -6.9473   -0.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5928   -8.3178   -1.2287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6982   -6.4460   -0.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7600   -5.0979    0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8449   -4.6344    0.7561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7772   -4.2555   -0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8735   -2.8286   -0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0726   -1.9419   -1.0176 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0147   -0.6671   -0.4106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5634    0.4812   -0.9214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1681    0.3915   -2.0214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4786    1.7825   -0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8233    1.9078    0.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7452    3.1475    1.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0820    3.2429    2.7867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3232    4.2590    0.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2755    5.5024    1.5711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9888    4.1500   -0.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5669    5.2823   -0.7964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0416    2.9135   -0.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4965   -2.7335    0.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4521   -2.3535    1.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6271   -3.0310    2.9588 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2761   -1.2679    1.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2430   -0.8747    2.4420 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    2.8521    0.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3594    4.1583    0.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2898    5.1408    0.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0658    6.4631    0.6649 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4815    4.8491   -0.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4224    5.8162   -0.6260 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7506    3.5468   -0.7123 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9298    3.1953   -1.3634 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8072    2.5905   -0.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0584   -0.4155   -1.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034   -2.0293   -2.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7862   -6.4737   -1.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0147   -8.7038   -2.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4726   -7.1482    0.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5713   -5.2595    1.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9523   -2.5333   -0.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6779   -2.5917    0.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6284   -1.9203   -1.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3857    1.0127    1.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9997    4.1197    3.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8495    5.7651    2.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0434    5.1683   -1.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5535    2.7951   -1.7553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1130   -3.5897    1.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0251   -3.8239    3.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3408   -1.3890    3.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4215    4.3816    1.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1853    6.6955    1.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2203    6.7619   -0.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6483    3.8387   -1.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0215    1.5734   -0.7152 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
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  2  0
  6 31  2  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 34 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
 34  4  1  0
 44 36  1  0
 18  7  1  0
 30 22  1  0
 16  9  1  0
  5 45  1  0
  7 46  1  6
 10 47  1  0
 12 48  1  0
 13 49  1  0
 15 50  1  0
 17 51  1  0
 17 52  1  0
 18 53  1  6
 23 54  1  0
 25 55  1  0
 27 56  1  0
 29 57  1  0
 30 58  1  0
 31 59  1  0
 33 60  1  0
 35 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  O   UNK     0      -5.610  -4.620   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       1.058  -5.390   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -0.275  -6.160   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.275  -7.700   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.058  -8.470   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.392  -7.700   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.392  -6.160   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -1.609  -8.470   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       1.058 -10.010   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       3.726  -8.470   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       1.058  -3.850   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       2.392  -3.080   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -0.275  -3.080   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       3.726  -0.770   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -1.252   5.184   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -2.022   3.850   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -3.562   3.850   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -4.332   5.184   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -3.562   6.517   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -2.022   6.517   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -4.332   2.516   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -5.872   5.184   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -4.332   7.851   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       0.288   5.184   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       1.058   6.517   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       1.058   3.850   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   19                                                  
CONECT    5    4    6    8                                                  
CONECT    6    1    7    5                                                  
CONECT    7    6   10                                                       
CONECT    8    5    9                                                       
CONECT    9    8   10   31                                                  
CONECT   10    7    9   11                                                  
CONECT   11   10   13   14                                                  
CONECT   12   13   16   44                                                  
CONECT   13   11   12                                                       
CONECT   14   11   15                                                       
CONECT   15   14   16   32                                                  
CONECT   16   12   15   17                                                  
CONECT   17   16                                                            
CONECT   18    2                                                            
CONECT   19    4                                                            
CONECT   20   21   25   29                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   26                                                  
CONECT   23   22   24   27                                                  
CONECT   24   23   25   28                                                  
CONECT   25   20   24                                                       
CONECT   26   22                                                            
CONECT   27   23                                                            
CONECT   28   24                                                            
CONECT   29   20   30   31                                                  
CONECT   30   29                                                            
CONECT   31    9   29                                                       
CONECT   32   15                                                            
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   12   42                                                       
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

COMPND    HMDB0039297
HETATM    1  O1  UNL     1       1.588   2.015   1.072  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.662   1.795   0.498  1.00  0.00           C  
HETATM    3  O2  UNL     1       2.957   0.501   0.112  1.00  0.00           O  
HETATM    4  C2  UNL     1       2.116  -0.583   0.329  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.158  -0.975  -0.585  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.323  -2.060  -0.358  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.706  -2.492  -1.325  1.00  0.00           C  
HETATM    8  O3  UNL     1      -0.741  -3.869  -1.534  1.00  0.00           O  
HETATM    9  C6  UNL     1      -1.706  -4.743  -1.118  1.00  0.00           C  
HETATM   10  C7  UNL     1      -1.630  -6.099  -1.404  1.00  0.00           C  
HETATM   11  C8  UNL     1      -2.631  -6.947  -0.963  1.00  0.00           C  
HETATM   12  O4  UNL     1      -2.593  -8.318  -1.229  1.00  0.00           O  
HETATM   13  C9  UNL     1      -3.698  -6.446  -0.243  1.00  0.00           C  
HETATM   14  C10 UNL     1      -3.760  -5.098   0.033  1.00  0.00           C  
HETATM   15  O5  UNL     1      -4.845  -4.634   0.756  1.00  0.00           O  
HETATM   16  C11 UNL     1      -2.777  -4.255  -0.399  1.00  0.00           C  
HETATM   17  C12 UNL     1      -2.874  -2.829  -0.088  1.00  0.00           C  
HETATM   18  C13 UNL     1      -2.073  -1.942  -1.018  1.00  0.00           C  
HETATM   19  O6  UNL     1      -2.015  -0.667  -0.411  1.00  0.00           O  
HETATM   20  C14 UNL     1      -2.563   0.481  -0.921  1.00  0.00           C  
HETATM   21  O7  UNL     1      -3.168   0.392  -2.021  1.00  0.00           O  
HETATM   22  C15 UNL     1      -2.479   1.782  -0.256  1.00  0.00           C  
HETATM   23  C16 UNL     1      -1.823   1.908   0.950  1.00  0.00           C  
HETATM   24  C17 UNL     1      -1.745   3.148   1.578  1.00  0.00           C  
HETATM   25  O8  UNL     1      -1.082   3.243   2.787  1.00  0.00           O  
HETATM   26  C18 UNL     1      -2.323   4.259   0.996  1.00  0.00           C  
HETATM   27  O9  UNL     1      -2.276   5.502   1.571  1.00  0.00           O  
HETATM   28  C19 UNL     1      -2.989   4.150  -0.223  1.00  0.00           C  
HETATM   29  O10 UNL     1      -3.567   5.282  -0.796  1.00  0.00           O  
HETATM   30  C20 UNL     1      -3.042   2.914  -0.804  1.00  0.00           C  
HETATM   31  C21 UNL     1       0.497  -2.733   0.833  1.00  0.00           C  
HETATM   32  C22 UNL     1       1.452  -2.354   1.760  1.00  0.00           C  
HETATM   33  O11 UNL     1       1.627  -3.031   2.959  1.00  0.00           O  
HETATM   34  C23 UNL     1       2.276  -1.268   1.516  1.00  0.00           C  
HETATM   35  O12 UNL     1       3.243  -0.875   2.442  1.00  0.00           O  
HETATM   36  C24 UNL     1       3.630   2.852   0.213  1.00  0.00           C  
HETATM   37  C25 UNL     1       3.359   4.158   0.589  1.00  0.00           C  
HETATM   38  C26 UNL     1       4.290   5.141   0.309  1.00  0.00           C  
HETATM   39  O13 UNL     1       4.066   6.463   0.665  1.00  0.00           O  
HETATM   40  C27 UNL     1       5.482   4.849  -0.337  1.00  0.00           C  
HETATM   41  O14 UNL     1       6.422   5.816  -0.626  1.00  0.00           O  
HETATM   42  C28 UNL     1       5.751   3.547  -0.712  1.00  0.00           C  
HETATM   43  O15 UNL     1       6.930   3.195  -1.363  1.00  0.00           O  
HETATM   44  C29 UNL     1       4.807   2.591  -0.420  1.00  0.00           C  
HETATM   45  H1  UNL     1       1.058  -0.415  -1.507  1.00  0.00           H  
HETATM   46  H2  UNL     1      -0.403  -2.029  -2.312  1.00  0.00           H  
HETATM   47  H3  UNL     1      -0.786  -6.474  -1.969  1.00  0.00           H  
HETATM   48  H4  UNL     1      -3.015  -8.704  -2.067  1.00  0.00           H  
HETATM   49  H5  UNL     1      -4.473  -7.148   0.090  1.00  0.00           H  
HETATM   50  H6  UNL     1      -5.571  -5.260   1.074  1.00  0.00           H  
HETATM   51  H7  UNL     1      -3.952  -2.533  -0.250  1.00  0.00           H  
HETATM   52  H8  UNL     1      -2.678  -2.592   0.980  1.00  0.00           H  
HETATM   53  H9  UNL     1      -2.628  -1.920  -1.985  1.00  0.00           H  
HETATM   54  H10 UNL     1      -1.386   1.013   1.370  1.00  0.00           H  
HETATM   55  H11 UNL     1      -1.000   4.120   3.278  1.00  0.00           H  
HETATM   56  H12 UNL     1      -1.850   5.765   2.427  1.00  0.00           H  
HETATM   57  H13 UNL     1      -4.043   5.168  -1.683  1.00  0.00           H  
HETATM   58  H14 UNL     1      -3.554   2.795  -1.755  1.00  0.00           H  
HETATM   59  H15 UNL     1      -0.113  -3.590   1.087  1.00  0.00           H  
HETATM   60  H16 UNL     1       1.025  -3.824   3.137  1.00  0.00           H  
HETATM   61  H17 UNL     1       3.341  -1.389   3.299  1.00  0.00           H  
HETATM   62  H18 UNL     1       2.422   4.382   1.097  1.00  0.00           H  
HETATM   63  H19 UNL     1       3.185   6.696   1.146  1.00  0.00           H  
HETATM   64  H20 UNL     1       6.220   6.762  -0.350  1.00  0.00           H  
HETATM   65  H21 UNL     1       7.648   3.839  -1.602  1.00  0.00           H  
HETATM   66  H22 UNL     1       5.022   1.573  -0.715  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   36
CONECT    3    4
CONECT    4    5    5   34
CONECT    5    6   45
CONECT    6    7   31   31
CONECT    7    8   18   46
CONECT    8    9
CONECT    9   10   10   16
CONECT   10   11   47
CONECT   11   12   13   13
CONECT   12   48
CONECT   13   14   49
CONECT   14   15   16   16
CONECT   15   50
CONECT   16   17
CONECT   17   18   51   52
CONECT   18   19   53
CONECT   19   20
CONECT   20   21   21   22
CONECT   22   23   23   30
CONECT   23   24   54
CONECT   24   25   26   26
CONECT   25   55
CONECT   26   27   28
CONECT   27   56
CONECT   28   29   30   30
CONECT   29   57
CONECT   30   58
CONECT   31   32   59
CONECT   32   33   34   34
CONECT   33   60
CONECT   34   35
CONECT   35   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

HMDB0039297
     RDKit          3D
(-)-Epigallocatechin 3,3'-di-gallate
 66 70  0  0  0  0  0  0  0  0999 V2000
    1.5880    2.0152    1.0721 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6620    1.7946    0.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9568    0.5010    0.1122 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1160   -0.5830    0.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1581   -0.9751   -0.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3230   -2.0599   -0.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7056   -2.4920   -1.3254 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7410   -3.8691   -1.5338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7062   -4.7426   -1.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6304   -6.0985   -1.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6311   -6.9473   -0.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5928   -8.3178   -1.2287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6982   -6.4460   -0.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7600   -5.0979    0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8449   -4.6344    0.7561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7772   -4.2555   -0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8735   -2.8286   -0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0726   -1.9419   -1.0176 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0147   -0.6671   -0.4106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5634    0.4812   -0.9214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1681    0.3915   -2.0214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4786    1.7825   -0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8233    1.9078    0.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7452    3.1475    1.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0820    3.2429    2.7867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3232    4.2590    0.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2755    5.5024    1.5711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9888    4.1500   -0.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5669    5.2823   -0.7964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0416    2.9135   -0.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4965   -2.7335    0.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4521   -2.3535    1.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6271   -3.0310    2.9588 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2761   -1.2679    1.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2430   -0.8747    2.4420 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    2.8521    0.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3594    4.1583    0.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2898    5.1408    0.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0658    6.4631    0.6649 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4815    4.8491   -0.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4224    5.8162   -0.6260 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7506    3.5468   -0.7123 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9298    3.1953   -1.3634 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8072    2.5905   -0.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0584   -0.4155   -1.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034   -2.0293   -2.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7862   -6.4737   -1.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0147   -8.7038   -2.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4726   -7.1482    0.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5713   -5.2595    1.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9523   -2.5333   -0.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6779   -2.5917    0.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6284   -1.9203   -1.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3857    1.0127    1.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9997    4.1197    3.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8495    5.7651    2.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0434    5.1683   -1.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5535    2.7951   -1.7553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1130   -3.5897    1.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0251   -3.8239    3.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3408   -1.3890    3.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4215    4.3816    1.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1853    6.6955    1.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2203    6.7619   -0.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6483    3.8387   -1.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0215    1.5734   -0.7152 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
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  2  0
  6 31  2  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 34 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
 34  4  1  0
 44 36  1  0
 18  7  1  0
 30 22  1  0
 16  9  1  0
  5 45  1  0
  7 46  1  6
 10 47  1  0
 12 48  1  0
 13 49  1  0
 15 50  1  0
 17 51  1  0
 17 52  1  0
 18 53  1  6
 23 54  1  0
 25 55  1  0
 27 56  1  0
 29 57  1  0
 30 58  1  0
 31 59  1  0
 33 60  1  0
 35 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 3,3'-di-gallic acid	Generator
(-)-Epigallocatechin 3,3'-di-O-gallate	HMDB
3,3'-Di-O-galloylepigallocatechin	HMDB
Epigallocatechin 3,3'-di-gallate	HMDB
Epigallocatechin 3,3'-di-O-gallate	HMDB
Epigallocatechin 3,3',-di-O-gallic acid	Generator
Epigallocatechin 3,3'-digallic acid	Generator

Chemical Formula

C₂₉H₂₂O₁₅

Average Molecular Weight

610.476

Monoisotopic Molecular Weight

610.095870034

IUPAC Name

(2R,3R)-2-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)phenyl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

Traditional Name

(2R,3R)-2-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)phenyl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

CAS Registry Number

89013-66-1

SMILES

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

InChI Identifier

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

InChI Key

LGGSDHMXURUIDJ-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
Hydrolyzable tannin
Epigallocatechin
Depside backbone
3'-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Hydroxyflavonoid
Tannin
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
Phenol ester
Pyrogallol derivative
Benzenetriol
Benzoic acid or derivatives
Phenoxy compound
Catechol
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
Oxacycle
Ether
Polyol
Organoheterocyclic compound
Carboxylic acid derivative
Hydrocarbon derivative
Organic oxygen compound
Organooxygen compound
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Flavans, Flavanols and Leucoanthocyanidins (LMPK12020126 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cell membrane (HMDB: HMDB0039297)

Cellular substructure

Membrane (HMDB: HMDB0039297)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0039297)

Source

Exogenous

Food

Food (HMDB: HMDB0039297)

Tea

Endogenous

Plant

Plant (HMDB: HMDB0039297)

Not Available

Nutrient (HMDB: HMDB0039297)

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	0.043 g/L	ALOGPS
logP	3.12	ALOGPS
logP	4.78	ChemAxon
logS	-4.2	ALOGPS
pKa (Strongest Acidic)	7.76	ChemAxon
pKa (Strongest Basic)	-4.7	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	57.75 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]+	235.323	31661259
DarkChem	[M-H]-	230.376	31661259
DeepCCS	[M+H]+	242.405	30932474
DeepCCS	[M-H]-	240.51	30932474
DeepCCS	[M-2H]-	274.294	30932474
DeepCCS	[M+Na]+	248.3	30932474
AllCCS	[M+H]+	234.0	32859911
AllCCS	[M+H-H2O]+	232.7	32859911
AllCCS	[M+NH4]+	235.2	32859911
AllCCS	[M+Na]+	235.5	32859911
AllCCS	[M-H]-	225.6	32859911
AllCCS	[M+Na-2H]-	226.7	32859911
AllCCS	[M+HCOO]-	228.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(-)-Epigallocatechin 3,3'-di-gallate	OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)C(O)=C1	8235.4	Standard polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate	OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)C(O)=C1	5214.2	Standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate	OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)C(O)=C1	5966.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(-)-Epigallocatechin 3,3'-di-gallate,1TMS,isomer #1	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)OC2=C1	5942.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,1TMS,isomer #2	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=CC(O)=C1O	5961.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,1TMS,isomer #3	C[Si](C)(C)OC1=C(O)C=C(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)C=C1O	5914.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,1TMS,isomer #4	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2O)=CC(O)=C1O	5959.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,1TMS,isomer #5	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2O)C=C1O	5915.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,1TMS,isomer #6	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1OC(=O)C1=CC(O)=C(O)C(O)=C1	5881.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,1TMS,isomer #7	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	5968.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,1TMS,isomer #8	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)[C@@H](C1=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C1)O2	5922.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)O2)C(O[Si](C)(C)C)=C1	5659.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #10	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=CC(O)=C1O	5687.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #11	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=CC(O)=C2O)=CC(O)=C1O	5671.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #12	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C2)=CC(O)=C1O	5661.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #13	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=CC(O[Si](C)(C)C)=C1O	5726.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #14	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=CC(O)=C1O[Si](C)(C)C	5683.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)[C@@H](C1=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C1)O2	5618.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #16	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	5692.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #17	C[Si](C)(C)OC1=C(O)C=C(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)C=C1O	5643.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #18	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(O)=C2O)=CC(O)=C1O	5658.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #19	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(O)=C2O)C=C1O	5642.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5750.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #20	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2O)=CC(O)=C1O	5648.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #21	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O[Si](C)(C)C)=C2O)=CC(O)=C1O	5722.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #22	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2O[Si](C)(C)C)=CC(O)=C1O	5685.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #23	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2O)=CC(O[Si](C)(C)C)=C1O	5722.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #24	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2O)=CC(O)=C1O[Si](C)(C)C	5679.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)[C@@H](C1=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C1)O2	5618.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #26	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	5692.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #27	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2O[Si](C)(C)C)C=C1O	5642.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #28	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	5712.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #29	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C1)O2	5653.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)OC2=C1	5707.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #30	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	5705.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3)OC2=C1	5704.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #5	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3)OC2=C1	5681.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)OC2=C1	5704.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)OC2=C1	5681.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #8	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=CC(O)=C1O	5648.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TMS,isomer #9	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5724.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)O2)C(O[Si](C)(C)C)=C1	5479.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5562.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5515.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #12	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3)OC2=C1	5509.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3)OC2=C1	5475.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)OC2=C1	5511.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)OC2=C1	5473.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #16	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(OC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)=C3)OC2=C1	5559.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3)OC2=C1	5511.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3)OC2=C1	5509.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3)OC2=C1	5461.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #2	C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)O2)C(O[Si](C)(C)C)=C1	5436.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3)OC2=C1	5464.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3)OC2=C1	5418.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)OC2=C1	5562.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #23	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)OC2=C1	5512.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #24	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5524.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #25	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=CC(O)=C1O	5471.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #26	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=CC(O)=C2O)=CC(O)=C1O	5477.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #27	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C2)=CC(O)=C1O	5424.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #28	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=CC(O[Si](C)(C)C)=C1O	5523.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #29	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@@H](C1=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C1)O2	5468.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #3	C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	5524.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #30	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=CC(O[Si](C)(C)C)=C2O)=CC(O)=C1O	5555.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #31	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5510.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #32	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5545.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #33	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	5587.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #34	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	5541.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #35	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=CC(O)=C2O[Si](C)(C)C)=CC(O)=C1O	5498.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #36	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C2)=CC(O)=C1O	5475.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #37	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=CC(O[Si](C)(C)C)=C1O	5540.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #38	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=CC(O)=C1O[Si](C)(C)C	5497.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #39	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=CC(O)=C2O)=CC(O)=C1O	5553.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #4	C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)O2)C(O[Si](C)(C)C)=C1	5478.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #40	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(O)=C2O)=CC(O)=C1O	5496.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #41	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=C2)=CC(O)=C1O	5552.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #42	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)=CC(O)=C1O	5496.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #43	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C2)=CC(O[Si](C)(C)C)=C1O	5511.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #44	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C2)=CC(O)=C1O[Si](C)(C)C	5478.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #45	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5540.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #46	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	5479.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #47	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C1)O2	5433.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #48	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(O)=C2O)=CC(O)=C1O	5423.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #49	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)[C@@H](C1=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C1)O2	5374.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #5	C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3)O2)C(O[Si](C)(C)C)=C1	5478.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #50	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(O[Si](C)(C)C)=C2O)=CC(O)=C1O	5505.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #51	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	5481.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #52	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C	5520.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #53	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(O)=C2O[Si](C)(C)C)=CC(O)=C1O	5468.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #54	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(O)=C2O[Si](C)(C)C)C=C1O	5456.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #55	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(O)=C2O)=CC(O[Si](C)(C)C)=C1O	5503.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #56	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(O)=C2O)=CC(O)=C1O[Si](C)(C)C	5472.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #57	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O[Si](C)(C)C)=C2O)=CC(O)=C1O	5526.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #58	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2O[Si](C)(C)C)=CC(O)=C1O	5472.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #59	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2O)=CC(O[Si](C)(C)C)=C1O	5523.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #6	C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3)O2)C(O[Si](C)(C)C)=C1	5436.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #60	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)[C@@H](C1=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C1)O2	5464.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #61	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC(O)=C1O	5542.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #62	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	5585.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #63	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	5537.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #64	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5536.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #65	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5493.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #66	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5534.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #67	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	5480.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #68	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C1)O2	5433.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #69	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	5521.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5561.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #70	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)[C@@H](C1=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	5532.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #8	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5517.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,3TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	5580.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(C[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(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)O2)C(O[Si](C)(C)C)=C1	5370.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #10	C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3)O2)C(O[Si](C)(C)C)=C1	5142.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #100	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(O)=C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5276.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #101	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(O)=C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5251.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #102	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(O)=C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5355.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #103	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC(O)=C1O	5420.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #104	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	5405.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #105	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	5371.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #106	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5375.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #107	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C1)O2	5336.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #108	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)[C@@H](C1=CC(O)=C(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C1)O2	5404.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #109	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	5478.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #11	C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	5371.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #110	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	5442.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #111	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	5469.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #112	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5433.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #113	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)[C@@H](C1=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	5371.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #12	C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	5303.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #13	C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	5438.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #14	C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3)O2)C(O[Si](C)(C)C)=C1	5340.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #15	C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3)O2)C(O[Si](C)(C)C)=C1	5274.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #16	C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(OC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)=C3)O2)C(O[Si](C)(C)C)=C1	5368.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #17	C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3)O2)C(O[Si](C)(C)C)=C1	5338.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5440.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5407.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #2	C[Si](C)(C)OC1=CC2=C(C[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(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)O2)C(O[Si](C)(C)C)=C1	5339.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	5455.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5354.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5260.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #23	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	5413.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #24	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5264.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5241.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #26	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	5457.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #27	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	5411.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #28	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5442.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #29	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5408.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #3	C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	5373.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)=C3)OC2=C1	5412.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #31	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3)OC2=C1	5380.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #32	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3)OC2=C1	5326.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #33	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3)OC2=C1	5242.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #34	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3)OC2=C1	5245.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #35	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3)OC2=C1	5220.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #36	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)OC2=C1	5415.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #37	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)OC2=C1	5382.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #38	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(OC(=O)C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3)OC2=C1	5448.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #39	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)=C3)OC2=C1	5352.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #4	C[Si](C)(C)OC1=CC2=C(C[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(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)O2)C(O[Si](C)(C)C)=C1	5343.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #40	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)=C3)OC2=C1	5262.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #41	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3)OC2=C1	5321.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #42	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3)OC2=C1	5235.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #43	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3)OC2=C1	5352.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #44	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3)OC2=C1	5320.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #45	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3)OC2=C1	5267.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #46	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3)OC2=C1	5240.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #47	C[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)OC2=C1	5451.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #48	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=CC(O[Si](C)(C)C)=C2O)=CC(O)=C1O	5329.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #49	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5237.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #5	C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3)O2)C(O[Si](C)(C)C)=C1	5302.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #50	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5420.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #51	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	5407.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #52	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	5373.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #53	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=CC(O)=C2O[Si](C)(C)C)=CC(O)=C1O	5302.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #54	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C2)=CC(O)=C1O	5221.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #55	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=CC(O[Si](C)(C)C)=C1O	5376.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #56	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C1)O2	5339.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #57	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=CC(O)=C2O)=CC(O)=C1O	5327.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #58	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(O)=C2O)=CC(O)=C1O	5292.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #59	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=C2)=CC(O)=C1O	5324.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #6	C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3)O2)C(O[Si](C)(C)C)=C1	5210.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #60	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)=CC(O)=C1O	5292.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #61	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C2)=CC(O[Si](C)(C)C)=C1O	5236.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #62	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@@H](C1=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C1)O2	5208.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #63	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[C@@H](C1=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C1)O2	5406.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #64	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=CC(O[Si](C)(C)C)=C2O)=CC(O)=C1O	5384.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #65	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(O[Si](C)(C)C)=C2O)=CC(O)=C1O	5352.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #66	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC(O)=C1O	5426.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #67	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5384.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #68	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5353.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #69	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	5368.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #7	C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	5303.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #70	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	5302.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #71	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	5276.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #72	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[Si](C)(C)C)=C1O	5483.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #73	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O)=C1O[Si](C)(C)C	5445.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #74	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=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(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	5472.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #75	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=CC(O)=C2O[Si](C)(C)C)=CC(O)=C1O	5361.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #76	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(O)=C2O[Si](C)(C)C)=CC(O)=C1O	5335.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #77	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=C2)=CC(O)=C1O	5360.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #78	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)=CC(O)=C1O	5337.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #79	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C2)=CC(O[Si](C)(C)C)=C1O	5281.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #8	C[Si](C)(C)OC1=CC2=C(C[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(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)O2)C(O[Si](C)(C)C)=C1	5273.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #80	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C2)=CC(O)=C1O[Si](C)(C)C	5257.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #81	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5437.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #82	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(O)=C2O)=CC(O)=C1O	5416.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #83	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=CC(O)=C2O)=CC(O[Si](C)(C)C)=C1O	5383.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #84	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)=CC(O[Si](C)(C)C)=C1O	5357.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #85	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(O)=C2O)=CC(O[Si](C)(C)C)=C1O	5354.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #86	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(O)=C2O)=CC(O)=C1O[Si](C)(C)C	5330.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #87	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)=CC(O)=C1O	5417.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #88	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	5363.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #89	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(O[Si](C)(C)C)=C2O)=CC(O)=C1O	5236.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #9	C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3)O2)C(O[Si](C)(C)C)=C1	5206.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #90	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O	5186.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #91	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)[C@@H](C1=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	5370.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #92	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(O)=C2O[Si](C)(C)C)=CC(O)=C1O	5218.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #93	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C1)O2	5156.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #94	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(O)=C2O)=CC(O[Si](C)(C)C)=C1O	5233.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #95	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)[C@@H](C1=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C1)O2	5202.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #96	C[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC(O)=C1O	5362.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #97	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O	5297.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #98	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O	5271.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,4TMS,isomer #99	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C	5288.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)OC2=C1	6180.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=CC(O)=C1O	6204.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)C=C1O	6221.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2O)=CC(O)=C1O	6203.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2O)C=C1O	6221.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1OC(=O)C1=CC(O)=C(O)C(O)=C1	6172.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	6200.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)[C@@H](C1=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C1)O2	6148.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	6207.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=CC(O)=C1O	6265.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=CC(O)=C2O)=CC(O)=C1O	6298.2	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C2)=CC(O)=C1O	6315.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O	6317.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=CC(O)=C1O[Si](C)(C)C(C)(C)C	6266.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)[C@@H](C1=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C1)O2	6209.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	6312.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)C=C1O	6278.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(O)=C2O)=CC(O)=C1O	6314.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=CC(O)=C2O)C=C1O	6321.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	6298.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2O)=CC(O)=C1O	6225.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O[Si](C)(C)C(C)(C)C)=C2O)=CC(O)=C1O	6308.0	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O	6263.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	6314.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	6263.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)[C@@H](C1=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C1)O2	6210.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O	6313.4	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2O[Si](C)(C)C(C)(C)C)C=C1O	6278.9	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C	6251.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)[C@@H](C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C1)O2	6203.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)OC2=C1	6251.7	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O	6254.5	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=C3)OC2=C1	6274.1	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=C3)OC2=C1	6261.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)OC2=C1	6272.3	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O)=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(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)OC2=C1	6260.8	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=CC(O)=C1O	6223.6	Semi standard non polar	33892256
(-)-Epigallocatechin 3,3'-di-gallate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=CC(O)=C1O	6308.8	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 3,3'-di-gallate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0udi-0900300000-a8d893e32e4ac92ed746	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,3'-di-gallate GC-MS (1 TMS) - 70eV, Positive	splash10-0udi-1900021000-77f3cf8c7ffa70b81b33	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,3'-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 3,3'-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 3,3'-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 3,3'-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 3,3'-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 3,3'-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 3,3'-di-gallate GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (-)-Epigallocatechin 3,3'-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 3,3'-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 3,3'-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 3,3'-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 3,3'-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 3,3'-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 3,3'-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 3,3'-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 3,3'-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 3,3'-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 3,3'-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 3,3'-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 3,3'-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 3,3'-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 3,3'-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 3,3'-di-gallate GC-MS (TMS_2_16) - 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 3,3'-di-gallate 10V, Positive-QTOF	splash10-01pc-0900313000-9af616f9f0ac0e76d1ff	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,3'-di-gallate 20V, Positive-QTOF	splash10-0uki-0900100000-6cad809777481f3f10e7	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,3'-di-gallate 40V, Positive-QTOF	splash10-0uki-1900000000-c45acfe904d69c356a8d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,3'-di-gallate 10V, Negative-QTOF	splash10-0a4i-0400219000-61e4ecadc0e92a6dfa50	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,3'-di-gallate 20V, Negative-QTOF	splash10-0axr-0911832000-f0b5a62ab91fea906168	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,3'-di-gallate 40V, Negative-QTOF	splash10-016r-0901000000-b90224d2e63ca510f02d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,3'-di-gallate 10V, Positive-QTOF	splash10-01ox-0310957000-7f89c8f7c6647c23dce4	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,3'-di-gallate 20V, Positive-QTOF	splash10-0lyc-1911653000-a3f4a18413aaa8f81985	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,3'-di-gallate 40V, Positive-QTOF	splash10-000l-1951230000-a97f0424f6d3a86e1693	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,3'-di-gallate 10V, Negative-QTOF	splash10-0a4i-0206908000-4683ec3193c12b9e4e13	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,3'-di-gallate 20V, Negative-QTOF	splash10-0fvr-0910320000-1962cbe7315791b89085	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (-)-Epigallocatechin 3,3'-di-gallate 40V, Negative-QTOF	splash10-00or-0910170000-3b080e0350fa7ccec620	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

FDB018843

KNApSAcK ID

C00008888

Chemspider ID

410664

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

467300

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 3,3'-di-gallate (HMDB0039297)

MOL for HMDB0039297 ((-)-Epigallocatechin 3,3'-di-gallate)

3D MOL for HMDB0039297 ((-)-Epigallocatechin 3,3'-di-gallate)

3D SDF for HMDB0039297 ((-)-Epigallocatechin 3,3'-di-gallate)

3D-SDF for HMDB0039297 ((-)-Epigallocatechin 3,3'-di-gallate)

PDB for HMDB0039297 ((-)-Epigallocatechin 3,3'-di-gallate)

3D PDB for HMDB0039297 ((-)-Epigallocatechin 3,3'-di-gallate)

SMILES for HMDB0039297 ((-)-Epigallocatechin 3,3'-di-gallate)

INCHI for HMDB0039297 ((-)-Epigallocatechin 3,3'-di-gallate)

Structure for HMDB0039297 ((-)-Epigallocatechin 3,3'-di-gallate)

3D Structure for HMDB0039297 ((-)-Epigallocatechin 3,3'-di-gallate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra