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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2006-05-22 15:12:36 UTC

Update Date

2022-03-07 02:49:17 UTC

HMDB ID

HMDB0003153

Secondary Accession Numbers

HMDB03153

Metabolite Identification

Common Name

Epigallocatechin gallate

Description

Epigallocatechin gallate (EGCG) is the principal catechin in tea from Camellia sinensis, the most consumed beverage worldwide (after water). Depending on brew time and temperature, a single cup of green tea may contain 100-200 mg EGCG. To control the dose of EGCG administered in experimental studies, green tea solids (GTS) or capsules of green tea extract standardized to EGCG content are often employed. However, there is considerable variability in the EGCG content of commercially available dietary supplements, ranging from 12-143% of the tablet or capsule weight. While standardizing tea preparations to EGCG or using highly purified EGCG for research presents an important strategy for the conduct of precise studies as well as the ability to replicate experiments, it is worth noting this approach limits the potential contributions and possible synergy with other bioactive tea ingredients, including caffeine and other flavonoids. Human studies of the bioavailability of green tea catechins reveal these compounds to be poorly absorbed, with <0.1% of ingested catechins appearing in blood. Most ingested EGCG is rapidly cleared from blood with an elimination half-life of {approx}3 h and preferentially excreted via bile to the colon. The growing interest in the role of EGCG in health promotion and disease prevention is reflected by an exponential growth of research publications in this field. (J Am Coll Nutr. 2007 Aug;26(4):362S-365S).

Structure

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

  Mrv1652302202012222D          

 33 36  0  0  0  0            999 V2000
   -2.7280    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4425    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0135    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0135    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4425    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7280   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7280   -1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5846    0.9125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1298    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1298    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8444    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5846    0.0875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1298   -0.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5846   -1.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1298   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8444   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5588   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8444   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8444    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8444    3.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5588    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2733    2.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5588    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2733    0.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2733   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9877   -1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2733   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9877   -2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5588   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5588   -3.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  3  2  0  0  0  0
  7  2  2  0  0  0  0
  2  9  1  0  0  0  0
  9  4  2  0  0  0  0
  6  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6 11  1  0  0  0  0
  5 15  1  0  0  0  0
 15 11  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  6  0  0  0
 13 12  2  0  0  0  0
 12 14  1  0  0  0  0
 22 13  1  0  0  0  0
 22 24  2  0  0  0  0
 14 26  2  0  0  0  0
 26 24  1  0  0  0  0
 15 16  1  6  0  0  0
 16 18  1  0  0  0  0
 18 17  2  0  0  0  0
 18 19  1  0  0  0  0
 20 19  2  0  0  0  0
 19 21  1  0  0  0  0
 20 28  1  0  0  0  0
 21 32  2  0  0  0  0
 32 30  1  0  0  0  0
 30 28  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
M  END

HMDB0003153
     RDKit          3D
Epigallocatechin gallate
 51 54  0  0  0  0  0  0  0  0999 V2000
    0.9735   -1.6958   -1.7676 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2829   -0.8160   -0.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3922    0.2284   -0.7363 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8024    0.2509   -1.4926 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9031    1.5090   -2.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5108    2.6556   -1.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4794    3.9155   -2.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8699    4.0630   -3.4008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0378    4.9999   -1.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6368    4.8578   -0.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1889    5.9428    0.3361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6689    3.6133    0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1022    2.4971   -0.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1407    1.2511    0.2487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0236    0.1130   -0.5815 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0060   -1.1482    0.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2334   -1.2841    1.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1774   -2.4679    2.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3948   -2.5590    3.1527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9258   -3.5333    1.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9394   -4.7444    2.2840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7144   -3.4197    0.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4809   -4.4864    0.0358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7453   -2.2471   -0.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5411   -0.9083   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985    0.0432    0.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0818   -0.0059    1.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3796    1.0000    2.4074 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9394   -1.0429    1.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1409   -1.1634    1.9645 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6145   -2.0325    0.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5168   -3.0688    0.1673 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4268   -1.9466   -0.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8578   -0.6380   -2.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3843    1.3409   -3.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1380    1.8573   -2.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4578    3.2746   -3.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9884    5.9775   -2.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1603    6.8511   -0.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1323    3.4320    1.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9086    0.1305   -1.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6234   -0.4771    1.6619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3393   -3.3935    3.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4334   -4.9730    3.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0568   -4.4146   -0.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3867   -2.2083   -1.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2388    0.8936    0.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2219    1.0056    2.9563 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4871   -0.5380    2.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2695   -3.7816   -0.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1678   -2.7097   -1.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  2  0
  2 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  2  0
 15  4  1  0
 24 16  1  0
 33 25  1  0
 13  6  1  0
  4 34  1  6
  5 35  1  0
  5 36  1  0
  8 37  1  0
  9 38  1  0
 11 39  1  0
 12 40  1  0
 15 41  1  6
 17 42  1  0
 19 43  1  0
 21 44  1  0
 23 45  1  0
 24 46  1  0
 26 47  1  0
 28 48  1  0
 30 49  1  0
 32 50  1  0
 33 51  1  0
M  END

  Mrv1652302202012222D          

 33 36  0  0  0  0            999 V2000
   -2.7280    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4425    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0135    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0135    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4425    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7280   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7280   -1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5846    0.9125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1298    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1298    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8444    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5846    0.0875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1298   -0.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5846   -1.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1298   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8444   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5588   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8444   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8444    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8444    3.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5588    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2733    2.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5588    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2733    0.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2733   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9877   -1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2733   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9877   -2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5588   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5588   -3.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  3  2  0  0  0  0
  7  2  2  0  0  0  0
  2  9  1  0  0  0  0
  9  4  2  0  0  0  0
  6  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6 11  1  0  0  0  0
  5 15  1  0  0  0  0
 15 11  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  6  0  0  0
 13 12  2  0  0  0  0
 12 14  1  0  0  0  0
 22 13  1  0  0  0  0
 22 24  2  0  0  0  0
 14 26  2  0  0  0  0
 26 24  1  0  0  0  0
 15 16  1  6  0  0  0
 16 18  1  0  0  0  0
 18 17  2  0  0  0  0
 18 19  1  0  0  0  0
 20 19  2  0  0  0  0
 19 21  1  0  0  0  0
 20 28  1  0  0  0  0
 21 32  2  0  0  0  0
 32 30  1  0  0  0  0
 30 28  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0003153

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1

> <INCHI_KEY>
WMBWREPUVVBILR-WIYYLYMNSA-N

> <FORMULA>
C22H18O11

> <MOLECULAR_WEIGHT>
458.3717

> <EXACT_MASS>
458.084911418

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
43.269253647488036

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
2.38

> <JCHEM_LOGP>
3.0761455773333326

> <ALOGPS_LOGS>
-3.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.719241714639647

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.992993558286566

> <JCHEM_PKA_STRONGEST_BASIC>
-5.423934990004846

> <JCHEM_POLAR_SURFACE_AREA>
197.36999999999998

> <JCHEM_REFRACTIVITY>
111.74530000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.28e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(-)-epigallocatechin gallate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0003153
     RDKit          3D
Epigallocatechin gallate
 51 54  0  0  0  0  0  0  0  0999 V2000
    0.9735   -1.6958   -1.7676 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2829   -0.8160   -0.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3922    0.2284   -0.7363 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8024    0.2509   -1.4926 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9031    1.5090   -2.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5108    2.6556   -1.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4794    3.9155   -2.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8699    4.0630   -3.4008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0378    4.9999   -1.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6368    4.8578   -0.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1889    5.9428    0.3361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6689    3.6133    0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1022    2.4971   -0.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1407    1.2511    0.2487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0236    0.1130   -0.5815 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0060   -1.1482    0.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2334   -1.2841    1.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1774   -2.4679    2.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3948   -2.5590    3.1527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9258   -3.5333    1.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9394   -4.7444    2.2840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7144   -3.4197    0.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4809   -4.4864    0.0358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7453   -2.2471   -0.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5411   -0.9083   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985    0.0432    0.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0818   -0.0059    1.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3796    1.0000    2.4074 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9394   -1.0429    1.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1409   -1.1634    1.9645 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6145   -2.0325    0.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5168   -3.0688    0.1673 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4268   -1.9466   -0.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8578   -0.6380   -2.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3843    1.3409   -3.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1380    1.8573   -2.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4578    3.2746   -3.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9884    5.9775   -2.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1603    6.8511   -0.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1323    3.4320    1.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9086    0.1305   -1.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6234   -0.4771    1.6619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3393   -3.3935    3.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4334   -4.9730    3.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0568   -4.4146   -0.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3867   -2.2083   -1.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2388    0.8936    0.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2219    1.0056    2.9563 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4871   -0.5380    2.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2695   -3.7816   -0.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1678   -2.7097   -1.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  2  0
  2 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  2  0
 15  4  1  0
 24 16  1  0
 33 25  1  0
 13  6  1  0
  4 34  1  6
  5 35  1  0
  5 36  1  0
  8 37  1  0
  9 38  1  0
 11 39  1  0
 12 40  1  0
 15 41  1  6
 17 42  1  0
 19 43  1  0
 21 44  1  0
 23 45  1  0
 24 46  1  0
 26 47  1  0
 28 48  1  0
 30 49  1  0
 32 50  1  0
 33 51  1  0
M  END

HEADER    PROTEIN                                 20-FEB-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-FEB-20         0                                  
HETATM    1  C   UNK     0      -5.092   2.473   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.426   0.163   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.759   1.703   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.759   0.163   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.425  -0.607   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -2.425   2.473   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -6.426   1.703   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -7.760   2.473   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -5.092  -0.607   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -5.092  -2.147   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -1.091   1.703   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.242   2.473   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.242   4.013   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.576   1.703   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.091   0.163   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       0.242  -0.607   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -1.091  -2.917   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       0.242  -2.147   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.576  -2.917   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.910  -2.147   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.576  -4.457   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.576   4.783   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       1.576   6.323   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       2.910   4.013   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       4.243   4.783   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       2.910   2.473   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       4.243   1.703   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       4.243  -2.917   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       5.577  -2.147   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       4.243  -4.457   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       5.577  -5.227   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       2.910  -5.227   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       2.910  -6.767   0.000  0.00  0.00           O+0
CONECT    1    7    3                                                       
CONECT    2    7    9                                                       
CONECT    3    1    6    4                                                  
CONECT    4    9    3    5                                                  
CONECT    5    4   15                                                       
CONECT    6    3   11                                                       
CONECT    7    1    2    8                                                  
CONECT    8    7                                                            
CONECT    9    2    4   10                                                  
CONECT   10    9                                                            
CONECT   11    6   15   12                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12   22                                                       
CONECT   14   12   26                                                       
CONECT   15    5   11   16                                                  
CONECT   16   15   18                                                       
CONECT   17   18                                                            
CONECT   18   16   17   19                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19   28                                                       
CONECT   21   19   32                                                       
CONECT   22   13   24   23                                                  
CONECT   23   22                                                            
CONECT   24   22   26   25                                                  
CONECT   25   24                                                            
CONECT   26   14   24   27                                                  
CONECT   27   26                                                            
CONECT   28   20   30   29                                                  
CONECT   29   28                                                            
CONECT   30   32   28   31                                                  
CONECT   31   30                                                            
CONECT   32   21   30   33                                                  
CONECT   33   32                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   72    0
END

COMPND    HMDB0003153
HETATM    1  O1  UNL     1       0.974  -1.696  -1.768  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.283  -0.816  -0.924  1.00  0.00           C  
HETATM    3  O2  UNL     1       0.392   0.228  -0.736  1.00  0.00           O  
HETATM    4  C2  UNL     1      -0.802   0.251  -1.493  1.00  0.00           C  
HETATM    5  C3  UNL     1      -0.903   1.509  -2.270  1.00  0.00           C  
HETATM    6  C4  UNL     1      -1.511   2.656  -1.564  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.479   3.916  -2.151  1.00  0.00           C  
HETATM    8  O3  UNL     1      -0.870   4.063  -3.401  1.00  0.00           O  
HETATM    9  C6  UNL     1      -2.038   5.000  -1.514  1.00  0.00           C  
HETATM   10  C7  UNL     1      -2.637   4.858  -0.288  1.00  0.00           C  
HETATM   11  O4  UNL     1      -3.189   5.943   0.336  1.00  0.00           O  
HETATM   12  C8  UNL     1      -2.669   3.613   0.293  1.00  0.00           C  
HETATM   13  C9  UNL     1      -2.102   2.497  -0.346  1.00  0.00           C  
HETATM   14  O5  UNL     1      -2.141   1.251   0.249  1.00  0.00           O  
HETATM   15  C10 UNL     1      -2.024   0.113  -0.582  1.00  0.00           C  
HETATM   16  C11 UNL     1      -2.006  -1.148   0.157  1.00  0.00           C  
HETATM   17  C12 UNL     1      -1.233  -1.284   1.287  1.00  0.00           C  
HETATM   18  C13 UNL     1      -1.177  -2.468   2.034  1.00  0.00           C  
HETATM   19  O6  UNL     1      -0.395  -2.559   3.153  1.00  0.00           O  
HETATM   20  C14 UNL     1      -1.926  -3.533   1.617  1.00  0.00           C  
HETATM   21  O7  UNL     1      -1.939  -4.744   2.284  1.00  0.00           O  
HETATM   22  C15 UNL     1      -2.714  -3.420   0.477  1.00  0.00           C  
HETATM   23  O8  UNL     1      -3.481  -4.486   0.036  1.00  0.00           O  
HETATM   24  C16 UNL     1      -2.745  -2.247  -0.229  1.00  0.00           C  
HETATM   25  C17 UNL     1       2.541  -0.908  -0.178  1.00  0.00           C  
HETATM   26  C18 UNL     1       2.898   0.043   0.749  1.00  0.00           C  
HETATM   27  C19 UNL     1       4.082  -0.006   1.479  1.00  0.00           C  
HETATM   28  O9  UNL     1       4.380   1.000   2.407  1.00  0.00           O  
HETATM   29  C20 UNL     1       4.939  -1.043   1.275  1.00  0.00           C  
HETATM   30  O10 UNL     1       6.141  -1.163   1.965  1.00  0.00           O  
HETATM   31  C21 UNL     1       4.614  -2.032   0.341  1.00  0.00           C  
HETATM   32  O11 UNL     1       5.517  -3.069   0.167  1.00  0.00           O  
HETATM   33  C22 UNL     1       3.427  -1.947  -0.364  1.00  0.00           C  
HETATM   34  H1  UNL     1      -0.858  -0.638  -2.179  1.00  0.00           H  
HETATM   35  H2  UNL     1      -1.384   1.341  -3.272  1.00  0.00           H  
HETATM   36  H3  UNL     1       0.138   1.857  -2.551  1.00  0.00           H  
HETATM   37  H4  UNL     1      -0.458   3.275  -3.879  1.00  0.00           H  
HETATM   38  H5  UNL     1      -1.988   5.977  -2.018  1.00  0.00           H  
HETATM   39  H6  UNL     1      -3.160   6.851  -0.098  1.00  0.00           H  
HETATM   40  H7  UNL     1      -3.132   3.432   1.272  1.00  0.00           H  
HETATM   41  H8  UNL     1      -2.909   0.131  -1.268  1.00  0.00           H  
HETATM   42  H9  UNL     1      -0.623  -0.477   1.662  1.00  0.00           H  
HETATM   43  H10 UNL     1      -0.339  -3.393   3.701  1.00  0.00           H  
HETATM   44  H11 UNL     1      -1.433  -4.973   3.103  1.00  0.00           H  
HETATM   45  H12 UNL     1      -4.057  -4.415  -0.790  1.00  0.00           H  
HETATM   46  H13 UNL     1      -3.387  -2.208  -1.126  1.00  0.00           H  
HETATM   47  H14 UNL     1       2.239   0.894   0.945  1.00  0.00           H  
HETATM   48  H15 UNL     1       5.222   1.006   2.956  1.00  0.00           H  
HETATM   49  H16 UNL     1       6.487  -0.538   2.646  1.00  0.00           H  
HETATM   50  H17 UNL     1       5.269  -3.782  -0.514  1.00  0.00           H  
HETATM   51  H18 UNL     1       3.168  -2.710  -1.090  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   25
CONECT    3    4
CONECT    4    5   15   34
CONECT    5    6   35   36
CONECT    6    7    7   13
CONECT    7    8    9
CONECT    8   37
CONECT    9   10   10   38
CONECT   10   11   12
CONECT   11   39
CONECT   12   13   13   40
CONECT   13   14
CONECT   14   15
CONECT   15   16   41
CONECT   16   17   17   24
CONECT   17   18   42
CONECT   18   19   20   20
CONECT   19   43
CONECT   20   21   22
CONECT   21   44
CONECT   22   23   24   24
CONECT   23   45
CONECT   24   46
CONECT   25   26   26   33
CONECT   26   27   47
CONECT   27   28   29   29
CONECT   28   48
CONECT   29   30   31
CONECT   30   49
CONECT   31   32   33   33
CONECT   32   50
CONECT   33   51
END

HMDB0003153
     RDKit          3D
Epigallocatechin gallate
 51 54  0  0  0  0  0  0  0  0999 V2000
    0.9735   -1.6958   -1.7676 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2829   -0.8160   -0.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3922    0.2284   -0.7363 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8024    0.2509   -1.4926 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9031    1.5090   -2.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5108    2.6556   -1.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4794    3.9155   -2.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8699    4.0630   -3.4008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0378    4.9999   -1.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6368    4.8578   -0.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1889    5.9428    0.3361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6689    3.6133    0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1022    2.4971   -0.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1407    1.2511    0.2487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0236    0.1130   -0.5815 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0060   -1.1482    0.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2334   -1.2841    1.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1774   -2.4679    2.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3948   -2.5590    3.1527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9258   -3.5333    1.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9394   -4.7444    2.2840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7144   -3.4197    0.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4809   -4.4864    0.0358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7453   -2.2471   -0.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5411   -0.9083   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985    0.0432    0.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0818   -0.0059    1.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3796    1.0000    2.4074 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9394   -1.0429    1.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1409   -1.1634    1.9645 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6145   -2.0325    0.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5168   -3.0688    0.1673 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4268   -1.9466   -0.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8578   -0.6380   -2.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3843    1.3409   -3.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1380    1.8573   -2.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4578    3.2746   -3.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9884    5.9775   -2.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1603    6.8511   -0.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1323    3.4320    1.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9086    0.1305   -1.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6234   -0.4771    1.6619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3393   -3.3935    3.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4334   -4.9730    3.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0568   -4.4146   -0.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3867   -2.2083   -1.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2388    0.8936    0.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2219    1.0056    2.9563 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4871   -0.5380    2.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2695   -3.7816   -0.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1678   -2.7097   -1.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  2  0
  2 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  2  0
 15  4  1  0
 24 16  1  0
 33 25  1  0
 13  6  1  0
  4 34  1  6
  5 35  1  0
  5 36  1  0
  8 37  1  0
  9 38  1  0
 11 39  1  0
 12 40  1  0
 15 41  1  6
 17 42  1  0
 19 43  1  0
 21 44  1  0
 23 45  1  0
 24 46  1  0
 26 47  1  0
 28 48  1  0
 30 49  1  0
 32 50  1  0
 33 51  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
(-)-Epigallocatechin-3-O-gallate	ChEBI
[(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate	ChEBI
EGCG	ChEBI
Epigallocatechin 3-gallate	ChEBI
(-)-Epigallocatechin-3-O-gallic acid	Generator
[(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoic acid	Generator
Epigallocatechin 3-gallic acid	Generator
Epigallocatechin gallic acid	Generator
(-)-Epigallocatechin gallat	HMDB
(-)-Epigallocatechin gallate	HMDB
(-)-Epigallocatechol gallate	HMDB
(-)-Epigallocatehin gallate	HMDB
Catechin deriv.	HMDB
Epigallocatcchin gallate	HMDB
Epigallocate	HMDB
Epigallocic acid	HMDB
Galloyl-L-epigallocatechol	HMDB
Tea catechin	HMDB
Epigallo-catechin gallate	HMDB
Epigallocatechin-3-gallate	HMDB
Sunphenon	HMDB
EGCG CPD	HMDB
Epigallocatechin-3-O-gallate	HMDB

Chemical Formula

C₂₂H₁₈O₁₁

Average Molecular Weight

458.3717

Monoisotopic Molecular Weight

458.084911418

IUPAC Name

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

Traditional Name

(-)-epigallocatechin gallate

CAS Registry Number

989-51-5

SMILES

[H][C@]1(CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(O)=C(O)C(O)=C1)OC(=O)C1=CC(O)=C(O)C(O)=C1

InChI Identifier

InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1

InChI Key

WMBWREPUVVBILR-WIYYLYMNSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

Catechin gallates

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

polyphenol (CHEBI:4806 )
gallate ester (CHEBI:4806 )
catechin (CHEBI:4806 )
Proanthocyanidins (C09731 )
Flavan 3-ols (C09731 )
Proanthocyanidins (LMPK12030005 )

Ontology

Physiological effect

Organoleptic effect

Taste

Bitter

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 12184788)

Organ

Cell

Fibroblasts (HMDB: HMDB0003153)
Neuron (HMDB: HMDB0003153)

Hematocyte

Platelet (HMDB: HMDB0003153)

Tissue

Muscle tissue

Skeletal muscle (HMDB: HMDB0003153)

Epithelium

Epidermis (HMDB: HMDB0003153)

Excreta

Biofluid or Excreta

Urine (PMID: 12184788)

Cellular substructure

Membrane (HMDB: HMDB0003153)

Source

Exogenous

Exogenous (HMDB: HMDB0003153)

Food

Nut

Almond (FooDB: FOOD00148)
Brazil nut (FooDB: FOOD00024)
Cashew nut (FooDB: FOOD00011)
Chestnut (FooDB: FOOD00045)
Hazelnut (FooDB: FOOD00376)
Peanut (FooDB: FOOD00016)
Pecan nut (FooDB: FOOD00044)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
European chestnut (FooDB: FOOD00363)
Macadamia nut (FooDB: FOOD00525)
Colorado pinyon (FooDB: FOOD00433)
Common walnut (FooDB: FOOD00094)
Common hazelnut (FooDB: FOOD00062)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)

Fruit

Pome

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

Drupe

Apricot (FooDB: FOOD00144)
Prunus (Cherry, Plum) (FooDB: FOOD00143)
Nectarine (FooDB: FOOD00229)
Peach (FooDB: FOOD00149)
European plum (FooDB: FOOD00147)
Sweet cherry (FooDB: FOOD00145)
Peach (var.) (FooDB: FOOD00230)

Tropical fruit

Berry

Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Gooseberry (FooDB: FOOD00157)
Grape (FooDB: FOOD00369)
Strawberry (FooDB: FOOD00083)
American cranberry (FooDB: FOOD00192)
Common grape (FooDB: FOOD00204)
Red raspberry (FooDB: FOOD00162)
Muscadine grape (FooDB: FOOD00203)
Highbush blueberry (FooDB: FOOD00191)
European cranberry (FooDB: FOOD00217)

Other fruit

Date (FooDB: FOOD00135)
Fig (FooDB: FOOD00081)

Citrus

Grapefruit (FooDB: FOOD00256)
Sweet orange (FooDB: FOOD00057)

Vegetable

Shoot vegetable

Globe artichoke (FooDB: FOOD00071)

Fruit vegetable

Eggplant (FooDB: FOOD00174)
Avocado (FooDB: FOOD00130)
Olive (FooDB: FOOD00121)
Pepper (FooDB: FOOD00040)
Garden tomato (FooDB: FOOD00171)
Green bell pepper (FooDB: FOOD00877)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Garden tomato (var.) (FooDB: FOOD00173)

Common mushroom (FooDB: FOOD00547)

Onion-family vegetable

Allium (FooDB: FOOD00005)
Wild leek (FooDB: FOOD00396)

Tuber

Potato (FooDB: FOOD00175)

Stalk vegetable

Garden rhubarb (FooDB: FOOD00154)

Other vegetable

Carob (FooDB: FOOD00321)

Cereal and cereal product

Leavened bread

Wheat bread (FooDB: FOOD00808)

Cereal

Corn (FooDB: FOOD00205)
Rice (FooDB: FOOD00125)
Common wheat (FooDB: FOOD00187)

Cereal product

Pasta (FooDB: FOOD00273)

Pulse

Bean

Lentil

Lentils (FooDB: FOOD00098)

Pea

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

Beverage

Fermented beverage

Other beverage

Fruit-flavor drink (FooDB: FOOD00821)

Herb and spice

Spice

Wild celery (FooDB: FOOD00015)

Herb

Peppermint (FooDB: FOOD00113)
German camomile (FooDB: FOOD00107)

Cocoa and cocoa product

Cocoa product

Chocolate (FooDB: FOOD00687)
Hot chocolate (FooDB: FOOD00688)

Coffee and coffee product

Other candy (FooDB: FOOD00679)

Tea

Process

Not Available

Role

Industrial application

Agriculture

Pesticide

Fungicide (HMDB: HMDB0003153)

Manufacturing industry

Material processing agent

Solid material processing agent

Protective agent

Antioxidant (HMDB: HMDB0003153)
Antioxidant (HMDB: HMDB0003153)

Coloring agent

Fluorescent agent

Beta-blocker (HMDB: HMDB0003153)
Immunological adjuvant (HMDB: HMDB0003153)

Antiviral agent (HMDB: HMDB0003153)
Anti-allergic agent (HMDB: HMDB0003153)
Nephroprotective agent (HMDB: HMDB0003153)
Radiopharmaceutical (HMDB: HMDB0003153)

Pharmaceutical industry

Antineoplastic agent

Antitumor (HMDB: HMDB0003153)

Hepatoprotective (HMDB: HMDB0003153)

Biological role

Modulator

Inhibitor

EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor (HMDB: HMDB0003153)
EC 1.1.1.21 (aldehyde reductase) inhibitor (HMDB: HMDB0003153)
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor (HMDB: HMDB0003153)
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor (HMDB: HMDB0003153)
EC 2.7.11.13 (protein kinase C) inhibitor (HMDB: HMDB0003153)
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor (HMDB: HMDB0003153)
EC 1.17.3.2 (xanthine oxidase) inhibitor (HMDB: HMDB0003153)
Methyl-guanidine inhibitor (HMDB: HMDB0003153)

Enzyme inhibitor

Lipoxygenase inhibitor (HMDB: HMDB0003153)
Protein-tyrosine-kinase inhibitor (HMDB: HMDB0003153)
Enzyme Inhibitor (HMDB: HMDB0003153)
Angiotensin converting enzyme inhibitor (HMDB: HMDB0003153)
Acetyl-CoA-carboxylase inhibitor (HMDB: HMDB0003153)
Cyclooxygenase inhibitor (HMDB: HMDB0003153)
Glucosyl-transferase inhibitor (HMDB: HMDB0003153)
GPTase inhibitor (HMDB: HMDB0003153)
Reverse transcriptase inhibitor (HMDB: HMDB0003153)
Urokinase inhibitor (HMDB: HMDB0003153)

Apoptotic (HMDB: HMDB0003153)

Antiangiogenic (HMDB: HMDB0003153)
Antiangiogenic (HMDB: HMDB0003153)
Adrenergic agent (HMDB: HMDB0003153)
VEGF inhibitor (HMDB: HMDB0003153)
Mitogen (HMDB: HMDB0003153)
Allergen (HMDB: HMDB0003153)
Anti acne (HMDB: HMDB0003153)
Anti aggregant (HMDB: HMDB0003153)
Anti bacterial (HMDB: HMDB0003153)
Anti cancer (HMDB: HMDB0003153)
Anti cariogenic (HMDB: HMDB0003153)
Anti hepatotoxic (HMDB: HMDB0003153)
Anti ischemic (HMDB: HMDB0003153)
Anti leukemic (HMDB: HMDB0003153)
Anti methicillin-resistant Staphylococcus aureus (HMDB: HMDB0003153)
Anti mutagenic (HMDB: HMDB0003153)
Anti obesity (HMDB: HMDB0003153)
Anti peroxidant (HMDB: HMDB0003153)
Anti proliferant (HMDB: HMDB0003153)
Anti prostat adenomic (HMDB: HMDB0003153)
Anti radicular (HMDB: HMDB0003153)
Anti retinopathic (HMDB: HMDB0003153)
Anti ulcer (HMDB: HMDB0003153)
Cytotoxic (HMDB: HMDB0003153)
Hypocholesterolemic (HMDB: HMDB0003153)
Thermogenic (HMDB: HMDB0003153)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	140 - 142 °C	Not Available
Boiling Point	909.00 to 910.00 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	32.77 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	0.639 (est)	The Good Scents Company Information System

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M+H]+	Not Available	206.134	http://allccs.zhulab.cn/database/detail?ID=AllCCS00001418

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.073 g/L	ALOGPS
logP	2.38	ALOGPS
logP	3.08	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	7.99	ChemAxon
pKa (Strongest Basic)	-5.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	197.37 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	111.75 m³·mol⁻¹	ChemAxon
Polarizability	43.27 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	205.244	31661259
DarkChem	[M-H]-	200.247	31661259
DeepCCS	[M+H]+	203.655	30932474
DeepCCS	[M-H]-	201.718	30932474
DeepCCS	[M-2H]-	234.959	30932474
DeepCCS	[M+Na]+	209.568	30932474
AllCCS	[M+H]+	204.6	32859911
AllCCS	[M+H-H2O]+	202.3	32859911
AllCCS	[M+NH4]+	206.8	32859911
AllCCS	[M+Na]+	207.4	32859911
AllCCS	[M-H]-	201.5	32859911
AllCCS	[M+Na-2H]-	201.7	32859911
AllCCS	[M+HCOO]-	201.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Epigallocatechin gallate	[H][C@]1(CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(O)=C(O)C(O)=C1)OC(=O)C1=CC(O)=C(O)C(O)=C1	6560.6	Standard polar	33892256
Epigallocatechin gallate	[H][C@]1(CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(O)=C(O)C(O)=C1)OC(=O)C1=CC(O)=C(O)C(O)=C1	4452.1	Standard non polar	33892256
Epigallocatechin gallate	[H][C@]1(CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(O)=C(O)C(O)=C1)OC(=O)C1=CC(O)=C(O)C(O)=C1	4656.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Epigallocatechin gallate,1TMS,isomer #1	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(O)=C1)O2	4546.7	Semi standard non polar	33892256
Epigallocatechin gallate,1TMS,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(O)=C(O)C(O)=C3)OC2=C1	4577.8	Semi standard non polar	33892256
Epigallocatechin gallate,1TMS,isomer #3	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(O)=C1O	4577.8	Semi standard non polar	33892256
Epigallocatechin gallate,1TMS,isomer #4	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=C1O	4565.2	Semi standard non polar	33892256
Epigallocatechin gallate,1TMS,isomer #5	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(O)=C2)=CC(O)=C1O	4589.0	Semi standard non polar	33892256
Epigallocatechin gallate,1TMS,isomer #6	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(O)=C2)C=C1O	4565.0	Semi standard non polar	33892256
Epigallocatechin 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(O)=C3)O2)C(O[Si](C)(C)C)=C1	4370.9	Semi standard non polar	33892256
Epigallocatechin 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)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	4407.6	Semi standard non polar	33892256
Epigallocatechin gallate,2TMS,isomer #11	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(O)=C1O	4405.5	Semi standard non polar	33892256
Epigallocatechin gallate,2TMS,isomer #12	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(O[Si](C)(C)C)=C1O	4448.4	Semi standard non polar	33892256
Epigallocatechin gallate,2TMS,isomer #13	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(O)=C1O[Si](C)(C)C	4393.9	Semi standard non polar	33892256
Epigallocatechin 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[Si](C)(C)C)C(O)=C2)=CC(O)=C1O	4429.2	Semi standard non polar	33892256
Epigallocatechin gallate,2TMS,isomer #15	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(O)=C2)C=C1O	4423.6	Semi standard non polar	33892256
Epigallocatechin gallate,2TMS,isomer #16	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(O)=C2)=CC(O[Si](C)(C)C)=C1O	4471.3	Semi standard non polar	33892256
Epigallocatechin gallate,2TMS,isomer #17	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(O)=C2)=CC(O)=C1O[Si](C)(C)C	4405.8	Semi standard non polar	33892256
Epigallocatechin gallate,2TMS,isomer #2	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(O)=C2)=CC(O)=C1O	4402.9	Semi standard non polar	33892256
Epigallocatechin gallate,2TMS,isomer #3	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(O)=C1)O2	4356.2	Semi standard non polar	33892256
Epigallocatechin gallate,2TMS,isomer #4	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(O)=C1O	4385.7	Semi standard non polar	33892256
Epigallocatechin gallate,2TMS,isomer #5	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(O)=C1)O2	4347.3	Semi standard non polar	33892256
Epigallocatechin gallate,2TMS,isomer #6	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(O[Si](C)(C)C)=C3)OC2=C1	4409.2	Semi standard non polar	33892256
Epigallocatechin gallate,2TMS,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(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	4387.0	Semi standard non polar	33892256
Epigallocatechin gallate,2TMS,isomer #8	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(O)=C3)OC2=C1	4428.4	Semi standard non polar	33892256
Epigallocatechin gallate,2TMS,isomer #9	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(O)=C3)OC2=C1	4398.2	Semi standard non polar	33892256
Epigallocatechin 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(O)=C3)O2)C(O[Si](C)(C)C)=C1	4232.9	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #10	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(O)=C1)O2	4144.9	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #11	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(O[Si](C)(C)C)=C1O	4266.9	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #12	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(O[Si](C)(C)C)=C1)O2	4239.5	Semi standard non polar	33892256
Epigallocatechin 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[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	4290.3	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #14	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(O[Si](C)(C)C)=C3)OC2=C1	4257.4	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #15	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(O[Si](C)(C)C)=C3)OC2=C1	4238.8	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #16	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(O[Si](C)(C)C)=C3)OC2=C1	4176.2	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #17	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(O)=C3)OC2=C1	4182.0	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #18	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(O)=C3)OC2=C1	4198.9	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #19	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(O)=C3)OC2=C1	4317.1	Semi standard non polar	33892256
Epigallocatechin 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(O)=C3)O2)C(O[Si](C)(C)C)=C1	4181.9	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #20	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(O)=C3)OC2=C1	4266.4	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #21	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	4295.5	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #22	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(O[Si](C)(C)C)=C2)=CC(O)=C1O	4264.6	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #23	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(O)=C1O	4298.5	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #24	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(O)=C1O	4252.1	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #25	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(O[Si](C)(C)C)=C1O	4248.1	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,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[Si](C)(C)C)C(O)=C2)=CC(O)=C1O[Si](C)(C)C	4228.9	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #27	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(O[Si](C)(C)C)=C1O[Si](C)(C)C	4291.2	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #28	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(O)=C2)=CC(O[Si](C)(C)C)=C1O	4272.9	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #29	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(O)=C2)=CC(O)=C1O[Si](C)(C)C	4234.4	Semi standard non polar	33892256
Epigallocatechin 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(O)=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	4212.7	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #30	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(O)=C2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	4288.4	Semi standard non polar	33892256
Epigallocatechin 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(O)=C3)O2)C(O[Si](C)(C)C)=C1	4177.0	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #5	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(O[Si](C)(C)C)=C2)=CC(O)=C1O	4231.4	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #6	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(O)=C2)=CC(O)=C1O	4187.6	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #7	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(O)=C2)=CC(O[Si](C)(C)C)=C1O	4291.3	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #8	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(O)=C1)O2	4243.4	Semi standard non polar	33892256
Epigallocatechin gallate,3TMS,isomer #9	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(O)=C1O	4176.8	Semi standard non polar	33892256
Epigallocatechin 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(O)=C3)O2)C(O[Si](C)(C)C)=C1	4128.7	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #10	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(O[Si](C)(C)C)=C2)=CC(O)=C1O	4070.2	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #11	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(O)=C1O	4086.8	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #12	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(O)=C1O	4053.3	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #13	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(O)=C2)=CC(O[Si](C)(C)C)=C1O	4047.6	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #14	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(O)=C1)O2	4021.0	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #15	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(O)=C1)O2	4185.3	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #16	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(O[Si](C)(C)C)=C1O	4034.2	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #17	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(O[Si](C)(C)C)=C1)O2	4019.8	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #18	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[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	4188.8	Semi standard non polar	33892256
Epigallocatechin 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(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	4204.9	Semi standard non polar	33892256
Epigallocatechin 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(O)=C3)O2)C(O[Si](C)(C)C)=C1	4097.7	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,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[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	4072.9	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,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[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	4076.5	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #22	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(O[Si](C)(C)C)=C3)OC2=C1	4065.9	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,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)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	4071.3	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #24	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(O[Si](C)(C)C)=C3)OC2=C1	4077.3	Semi standard non polar	33892256
Epigallocatechin 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[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	4048.1	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #26	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(O)=C3)OC2=C1	4090.2	Semi standard non polar	33892256
Epigallocatechin 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[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	4072.7	Semi standard non polar	33892256
Epigallocatechin 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[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	4203.2	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #29	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	4188.5	Semi standard non polar	33892256
Epigallocatechin 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(O)=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	4037.5	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #30	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=CC(O[Si](C)(C)C)=C1O	4133.2	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #31	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(O[Si](C)(C)C)=C1O	4102.5	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,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(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[Si](C)(C)C)=C1O	4125.6	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #33	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(O[Si](C)(C)C)=C2)=CC(O)=C1O[Si](C)(C)C	4092.7	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #34	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(O)=C1O	4166.9	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #35	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(O[Si](C)(C)C)=C1O[Si](C)(C)C	4113.0	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,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(O)=C2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	4109.4	Semi standard non polar	33892256
Epigallocatechin 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(O)=C3)O2)C(O[Si](C)(C)C)=C1	4008.8	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #5	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(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3995.2	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #6	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(O)=C3)O2)C(O[Si](C)(C)C)=C1	4097.6	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #7	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[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	4113.1	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #8	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(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	4097.5	Semi standard non polar	33892256
Epigallocatechin gallate,4TMS,isomer #9	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[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	4073.9	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	4070.1	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #10	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[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	4076.7	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #11	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[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	4029.2	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #12	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[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=CC(O[Si](C)(C)C)=C1O	4001.1	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #13	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(O[Si](C)(C)C)=C1O	3997.8	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #14	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(O[Si](C)(C)C)=C2)=CC(O[Si](C)(C)C)=C1O	4002.4	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,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[Si](C)(C)C)=C1)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	3989.6	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #16	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[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O)=C1O	4013.2	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #17	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[Si](C)(C)C)C(O)=C1)O2	4008.9	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #18	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[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	4015.2	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #19	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[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	4044.2	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #2	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(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3980.9	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #20	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[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	4051.1	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #21	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[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	4030.0	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,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[Si](C)(C)C)=C3)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	4029.5	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #23	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(O[Si](C)(C)C)=C3)OC2=C1	4032.1	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #24	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(O[Si](C)(C)C)=C3)OC2=C1	4025.3	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #25	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(O[Si](C)(C)C)=C3)OC2=C1	4024.0	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #26	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[Si](C)(C)C)C(O)=C3)OC2=C1	4042.6	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #27	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[Si](C)(C)C)=C1O	4068.6	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #28	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O)=C1O[Si](C)(C)C	4049.4	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #29	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(O[Si](C)(C)C)=C1O	4046.3	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #3	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[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	4052.5	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #30	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(O)=C1O[Si](C)(C)C	4039.1	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #4	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(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3980.6	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #5	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[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	4040.9	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,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[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3985.6	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,isomer #7	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(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3988.6	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,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[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	4047.0	Semi standard non polar	33892256
Epigallocatechin gallate,5TMS,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[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	4041.6	Semi standard non polar	33892256
Epigallocatechin gallate,6TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	4008.2	Semi standard non polar	33892256
Epigallocatechin gallate,6TMS,isomer #10	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[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	4025.2	Semi standard non polar	33892256
Epigallocatechin gallate,6TMS,isomer #11	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[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[Si](C)(C)C)=C1O	4025.7	Semi standard non polar	33892256
Epigallocatechin gallate,6TMS,isomer #12	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[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	4020.9	Semi standard non polar	33892256
Epigallocatechin gallate,6TMS,isomer #13	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[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	4057.2	Semi standard non polar	33892256
Epigallocatechin gallate,6TMS,isomer #14	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[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	4045.7	Semi standard non polar	33892256
Epigallocatechin gallate,6TMS,isomer #15	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[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	4041.3	Semi standard non polar	33892256
Epigallocatechin gallate,6TMS,isomer #16	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[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	4037.3	Semi standard non polar	33892256
Epigallocatechin gallate,6TMS,isomer #17	C[Si](C)(C)OC1=CC(C(=O)O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@@H]2C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	4051.5	Semi standard non polar	33892256
Epigallocatechin gallate,6TMS,isomer #2	C[Si](C)(C)OC1=CC2=C(C[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[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	4030.1	Semi standard non polar	33892256
Epigallocatechin gallate,6TMS,isomer #3	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[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	4018.4	Semi standard non polar	33892256
Epigallocatechin gallate,6TMS,isomer #4	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[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	4022.0	Semi standard non polar	33892256
Epigallocatechin gallate,6TMS,isomer #5	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[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	4012.1	Semi standard non polar	33892256
Epigallocatechin gallate,6TMS,isomer #6	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[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	4010.3	Semi standard non polar	33892256
Epigallocatechin gallate,6TMS,isomer #7	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[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	4025.6	Semi standard non polar	33892256
Epigallocatechin gallate,6TMS,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[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	4039.8	Semi standard non polar	33892256
Epigallocatechin gallate,6TMS,isomer #9	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[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[Si](C)(C)C)=C1O	4040.9	Semi standard non polar	33892256
Epigallocatechin gallate,1TBDMS,isomer #1	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(O)=C1)O2	4832.0	Semi standard non polar	33892256
Epigallocatechin gallate,1TBDMS,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(O)=C(O)C(O)=C3)OC2=C1	4863.5	Semi standard non polar	33892256
Epigallocatechin gallate,1TBDMS,isomer #3	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(O)=C1O	4888.0	Semi standard non polar	33892256
Epigallocatechin gallate,1TBDMS,isomer #4	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=C1O	4899.9	Semi standard non polar	33892256
Epigallocatechin gallate,1TBDMS,isomer #5	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(O)=C2)=CC(O)=C1O	4887.8	Semi standard non polar	33892256
Epigallocatechin gallate,1TBDMS,isomer #6	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(O)=C2)C=C1O	4903.4	Semi standard non polar	33892256
Epigallocatechin 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(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	4923.2	Semi standard non polar	33892256
Epigallocatechin 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)C(O[Si](C)(C)C(C)(C)C)=C2)=CC(O)=C1O	5051.8	Semi standard non polar	33892256
Epigallocatechin gallate,2TBDMS,isomer #11	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(O)=C1O	5053.5	Semi standard non polar	33892256
Epigallocatechin gallate,2TBDMS,isomer #12	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(O[Si](C)(C)C(C)(C)C)=C1O	5054.0	Semi standard non polar	33892256
Epigallocatechin gallate,2TBDMS,isomer #13	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(O)=C1O[Si](C)(C)C(C)(C)C	4996.1	Semi standard non polar	33892256
Epigallocatechin 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[Si](C)(C)C(C)(C)C)C(O)=C2)=CC(O)=C1O	5055.3	Semi standard non polar	33892256
Epigallocatechin gallate,2TBDMS,isomer #15	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(O)=C2)C=C1O	5054.6	Semi standard non polar	33892256
Epigallocatechin gallate,2TBDMS,isomer #16	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(O)=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O	5070.2	Semi standard non polar	33892256
Epigallocatechin gallate,2TBDMS,isomer #17	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(O)=C2)=CC(O)=C1O[Si](C)(C)C(C)(C)C	5010.4	Semi standard non polar	33892256
Epigallocatechin gallate,2TBDMS,isomer #2	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(O)=C2)=CC(O)=C1O	4974.6	Semi standard non polar	33892256
Epigallocatechin gallate,2TBDMS,isomer #3	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(O)=C1)O2	4963.6	Semi standard non polar	33892256
Epigallocatechin gallate,2TBDMS,isomer #4	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(O)=C1O	4965.7	Semi standard non polar	33892256
Epigallocatechin gallate,2TBDMS,isomer #5	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(O)=C1)O2	4952.8	Semi standard non polar	33892256
Epigallocatechin 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)=C3)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	5002.3	Semi standard non polar	33892256
Epigallocatechin gallate,2TBDMS,isomer #7	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(O)=C3)OC2=C1	4988.8	Semi standard non polar	33892256
Epigallocatechin gallate,2TBDMS,isomer #8	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(O)=C3)OC2=C1	5014.5	Semi standard non polar	33892256
Epigallocatechin gallate,2TBDMS,isomer #9	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(O)=C3)OC2=C1	4996.2	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	4979.8	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #10	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[Si](C)(C)C(C)(C)C)C(O)=C1)O2	5001.0	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #11	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(O[Si](C)(C)C(C)(C)C)=C1O	5038.4	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #12	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(O[Si](C)(C)C(C)(C)C)=C1)O2	4990.7	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #13	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[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	5052.2	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #14	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(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	5008.2	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #15	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(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	5014.7	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #16	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(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	4992.2	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #17	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[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C1	4996.9	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #18	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[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C1	5057.3	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5073.2	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	4959.7	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #20	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[Si](C)(C)C(C)(C)C)=C3)[C@@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1	5012.5	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #21	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[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=CC(O)=C1O	5080.7	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #22	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(O[Si](C)(C)C(C)(C)C)=C2)=CC(O)=C1O	5038.8	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #23	CC(C)(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)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=CC(O)=C1O	5095.1	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #24	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[Si](C)(C)C(C)(C)C)=C2)=CC(O)=C1O	5038.0	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #25	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(O[Si](C)(C)C(C)(C)C)=C1O	5066.5	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,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[Si](C)(C)C(C)(C)C)C(O)=C2)=CC(O)=C1O[Si](C)(C)C(C)(C)C	5024.9	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #27	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(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	5043.2	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #28	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(O)=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O	5083.9	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #29	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(O)=C2)=CC(O)=C1O[Si](C)(C)C(C)(C)C	5026.8	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #3	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(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	4967.8	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #30	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(O)=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	5050.1	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #4	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[Si](C)(C)C(C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	4960.2	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #5	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(O[Si](C)(C)C(C)(C)C)=C2)=CC(O)=C1O	5004.1	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #6	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[Si](C)(C)C(C)(C)C)C(O)=C2)=CC(O)=C1O	4972.6	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #7	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(O)=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O	5059.5	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #8	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[Si](C)(C)C(C)(C)C)=C1)[C@@H](C1=CC(O)=C(O)C(O)=C1)O2	4998.7	Semi standard non polar	33892256
Epigallocatechin gallate,3TBDMS,isomer #9	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[Si](C)(C)C(C)(C)C)C(O)=C2)=CC(O)=C1O	4968.2	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 gallate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0ug0-0930000000-f01263ac8498e09a9b96	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epigallocatechin gallate GC-MS (3 TMS) - 70eV, Positive	splash10-0002-1192005000-c1fb4fee1e85d6928c34	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epigallocatechin gallate GC-MS (TBDMS_3_24) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epigallocatechin gallate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epigallocatechin gallate GC-MS ("Epigallocatechin gallate,3TBDMS,#24" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF 10V, Negative-QTOF	splash10-0a4i-0301900000-306bcb88a9db3b631447	2017-08-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF 40V, Negative-QTOF	splash10-00or-0900000000-2209ff009c5d9cffaf40	2017-08-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF , Negative-QTOF	splash10-0aor-0000900008-24e0bb519bd4a4f909f0	2017-08-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF 20V, Negative-QTOF	splash10-014i-0912000000-3adc2bfa8656374fadff	2017-08-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF 50V, Negative-QTOF	splash10-004i-0900000000-421d0afdbaa8c277f57a	2017-08-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF 30V, Negative-QTOF	splash10-014i-0911000000-8cd4fb88571a263c38ab	2017-08-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF 10V, Negative-QTOF	splash10-0a4i-0301900000-306bcb88a9db3b631447	2017-09-12	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF 40V, Negative-QTOF	splash10-00or-0900000000-2209ff009c5d9cffaf40	2017-09-12	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF , Negative-QTOF	splash10-0aor-0000900008-24e0bb519bd4a4f909f0	2017-09-12	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF 20V, Negative-QTOF	splash10-014i-0912000000-3adc2bfa8656374fadff	2017-09-12	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF 50V, Negative-QTOF	splash10-004i-0900000000-421d0afdbaa8c277f57a	2017-09-12	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF 30V, Negative-QTOF	splash10-014i-0911000000-8cd4fb88571a263c38ab	2017-09-12	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Epigallocatechin gallate LC-ESI-qTof , Positive-QTOF	splash10-000i-0910000000-3ca87cd7e5536628266a	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Epigallocatechin gallate Linear Ion Trap , negative-QTOF	splash10-0159-0917000000-0d7d5d2e8b3cd65a6134	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Epigallocatechin gallate Linear Ion Trap , negative-QTOF	splash10-0159-0917000000-b1f0fb994ee815d3bc77	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Epigallocatechin gallate , negative-QTOF	splash10-014i-0900000000-d3719d6cc341aafdd5ca	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Epigallocatechin gallate , negative-QTOF	splash10-014i-0901000000-bbef161918123e6de6a9	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Epigallocatechin gallate Linear Ion Trap , positive-QTOF	splash10-000i-0691000000-bf8635f20994642ca769	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Epigallocatechin gallate Linear Ion Trap , positive-QTOF	splash10-000i-0690000000-46717d45926c7c5d1a6d	2017-09-14	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epigallocatechin gallate 10V, Positive-QTOF	splash10-052r-0920500000-a974f0f3117ff4b93e42	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epigallocatechin gallate 20V, Positive-QTOF	splash10-0fe0-0910100000-a2be3929b160816f337a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epigallocatechin gallate 40V, Positive-QTOF	splash10-0079-2900000000-c4f287a63df487615180	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epigallocatechin gallate 10V, Negative-QTOF	splash10-0a4i-0301900000-4bd59275b184970a157f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epigallocatechin gallate 20V, Negative-QTOF	splash10-066r-0916400000-8e2c614db7634a27ffdd	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epigallocatechin gallate 40V, Negative-QTOF	splash10-00or-0900000000-236dc720968cdbf03811	2016-08-03	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Membrane (predicted from logP)

Biospecimen Locations

Blood
Urine

Tissue Locations

Bladder
Epidermis
Fibroblasts
Kidney
Liver
Neuron
Platelet
Prostate
Skeletal Muscle

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 129	12184788	details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 129	19812218	details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 129	18979506	details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 129	20521274	details
Blood	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 129	12184788	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 129	19812218	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 129	18979506	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 129	20521274	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB12116

Phenol Explorer Compound ID

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Epigallocatechin_gallate

METLIN ID

3550

PubChem Compound

65064

PDB ID

Not Available

ChEBI ID

4806

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1654041

References

Synthesis Reference

Liang, Huiling; Liang, Yuerong; Dong, Junjie; Lu, Jianliang. Tea extraction methods in relation to control of epimerization of tea catechins. Journal of the Science of Food and Agriculture (2007), 87(9), 1748-1752.

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Henning SM, Aronson W, Niu Y, Conde F, Lee NH, Seeram NP, Lee RP, Lu J, Harris DM, Moro A, Hong J, Pak-Shan L, Barnard RJ, Ziaee HG, Csathy G, Go VL, Wang H, Heber D: Tea polyphenols and theaflavins are present in prostate tissue of humans and mice after green and black tea consumption. J Nutr. 2006 Jul;136(7):1839-43. [PubMed:16772446 ]
Lill G, Voit S, Schror K, Weber AA: Complex effects of different green tea catechins on human platelets. FEBS Lett. 2003 Jul 10;546(2-3):265-70. [PubMed:12832052 ]
Uchida S, Ozaki M, Suzuki K, Shikita M: Radioprotective effects of (-)-epigallocatechin 3-O-gallate (green-tea tannin) in mice. Life Sci. 1992;50(2):147-52. [PubMed:1731169 ]
Dashwood WM, Carter O, Al-Fageeh M, Li Q, Dashwood RH: Lysosomal trafficking of beta-catenin induced by the tea polyphenol epigallocatechin-3-gallate. Mutat Res. 2005 Dec 11;591(1-2):161-72. Epub 2005 Jul 27. [PubMed:16054165 ]
Dorchies OM, Wagner S, Vuadens O, Waldhauser K, Buetler TM, Kucera P, Ruegg UT: Green tea extract and its major polyphenol (-)-epigallocatechin gallate improve muscle function in a mouse model for Duchenne muscular dystrophy. Am J Physiol Cell Physiol. 2006 Feb;290(2):C616-25. [PubMed:16403950 ]
Suganuma M, Okabe S, Sueoka N, Sueoka E, Matsuyama S, Imai K, Nakachi K, Fujiki H: Green tea and cancer chemoprevention. Mutat Res. 1999 Jul 16;428(1-2):339-44. [PubMed:10518005 ]
Katiyar SK, Afaq F, Perez A, Mukhtar H: Green tea polyphenol (-)-epigallocatechin-3-gallate treatment of human skin inhibits ultraviolet radiation-induced oxidative stress. Carcinogenesis. 2001 Feb;22(2):287-94. [PubMed:11181450 ]
Meng X, Sang S, Zhu N, Lu H, Sheng S, Lee MJ, Ho CT, Yang CS: Identification and characterization of methylated and ring-fission metabolites of tea catechins formed in humans, mice, and rats. Chem Res Toxicol. 2002 Aug;15(8):1042-50. [PubMed:12184788 ]
Shirai T, Reshad K, Yoshitomi A, Chida K, Nakamura H, Taniguchi M: Green tea-induced asthma: relationship between immunological reactivity, specific and non-specific bronchial responsiveness. Clin Exp Allergy. 2003 Sep;33(9):1252-5. [PubMed:12956747 ]
Fujiki H, Suganuma M, Okabe S, Sueoka N, Komori A, Sueoka E, Kozu T, Tada Y, Suga K, Imai K, Nakachi K: Cancer inhibition by green tea. Mutat Res. 1998 Jun 18;402(1-2):307-10. [PubMed:9675322 ]
Wang YC, Bachrach U: The specific anti-cancer activity of green tea (-)-epigallocatechin-3-gallate (EGCG). Amino Acids. 2002;22(2):131-43. [PubMed:12395181 ]
Katiyar SK, Matsui MS, Elmets CA, Mukhtar H: Polyphenolic antioxidant (-)-epigallocatechin-3-gallate from green tea reduces UVB-induced inflammatory responses and infiltration of leukocytes in human skin. Photochem Photobiol. 1999 Feb;69(2):148-53. [PubMed:10048310 ]
Shirai T, Sato A, Chida K, Hayakawa H, Akiyama J, Iwata M, Taniguchi M, Reshad K, Hara Y: Epigallocatechin gallate-induced histamine release in patients with green tea-induced asthma. Ann Allergy Asthma Immunol. 1997 Jul;79(1):65-9. [PubMed:9236503 ]
Caporali A, Davalli P, Astancolle S, D'Arca D, Brausi M, Bettuzzi S, Corti A: The chemopreventive action of catechins in the TRAMP mouse model of prostate carcinogenesis is accompanied by clusterin over-expression. Carcinogenesis. 2004 Nov;25(11):2217-24. Epub 2004 Sep 9. [PubMed:15358631 ]
Ichihashi M, Ahmed NU, Budiyanto A, Wu A, Bito T, Ueda M, Osawa T: Preventive effect of antioxidant on ultraviolet-induced skin cancer in mice. J Dermatol Sci. 2000 Mar;23 Suppl 1:S45-50. [PubMed:10764992 ]
Dvorakova K, Dorr RT, Valcic S, Timmermann B, Alberts DS: Pharmacokinetics of the green tea derivative, EGCG, by the topical route of administration in mouse and human skin. Cancer Chemother Pharmacol. 1999;43(4):331-5. [PubMed:10071985 ]
Neuhaus T, Voit S, Lill G, Vetter H, Schror K, Weber AA: Platelet aggregation induced by the C-terminal peptide of thrombospondin-1 (4N1-1) is inhibited by epigallocatechin gallate but not by prostaglandin E1. Platelets. 2004 Nov;15(7):455-7. [PubMed:15745318 ]
Chen JJ, Ye ZQ, Koo MW: Growth inhibition and cell cycle arrest effects of epigallocatechin gallate in the NBT-II bladder tumour cell line. BJU Int. 2004 May;93(7):1082-6. [PubMed:15142168 ]
Kanadzu M, Lu Y, Morimoto K: Dual function of (--)-epigallocatechin gallate (EGCG) in healthy human lymphocytes. Cancer Lett. 2006 Sep 28;241(2):250-5. Epub 2005 Nov 21. [PubMed:16303244 ]
Rezai-Zadeh K, Shytle D, Sun N, Mori T, Hou H, Jeanniton D, Ehrhart J, Townsend K, Zeng J, Morgan D, Hardy J, Town T, Tan J: Green tea epigallocatechin-3-gallate (EGCG) modulates amyloid precursor protein cleavage and reduces cerebral amyloidosis in Alzheimer transgenic mice. J Neurosci. 2005 Sep 21;25(38):8807-14. [PubMed:16177050 ]

Showing metabocard for Epigallocatechin gallate (HMDB0003153)

MOL for HMDB0003153 (Epigallocatechin gallate)

3D MOL for HMDB0003153 (Epigallocatechin gallate)

3D SDF for HMDB0003153 (Epigallocatechin gallate)

3D-SDF for HMDB0003153 (Epigallocatechin gallate)

PDB for HMDB0003153 (Epigallocatechin gallate)

3D PDB for HMDB0003153 (Epigallocatechin gallate)

SMILES for HMDB0003153 (Epigallocatechin gallate)

INCHI for HMDB0003153 (Epigallocatechin gallate)

Structure for HMDB0003153 (Epigallocatechin gallate)

3D Structure for HMDB0003153 (Epigallocatechin gallate)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra