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Showing metabocard for Epigallocatechin gallate (HMDB0003153)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2006-05-22 15:12:36 UTC
Update Date2022-03-07 02:49:17 UTC
HMDB IDHMDB0003153
Secondary Accession Numbers
  • HMDB03153
Metabolite Identification
Common NameEpigallocatechin gallate
DescriptionEpigallocatechin 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
Data?1582752264
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0003153 (Epigallocatechin gallate)


  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
Download

3D MOL for HMDB0003153 (Epigallocatechin gallate)

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
Download

3D SDF for HMDB0003153 (Epigallocatechin gallate)


  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

$$$$
Download

3D-SDF for HMDB0003153 (Epigallocatechin gallate)

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
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PDB for HMDB0003153 (Epigallocatechin gallate)

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
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3D PDB for HMDB0003153 (Epigallocatechin gallate)

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
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SMILES for HMDB0003153 (Epigallocatechin gallate)

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
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INCHI for HMDB0003153 (Epigallocatechin gallate)

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
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(-)-Epigallocatechin-3-O-gallateChEBI
[(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoateChEBI
EGCGChEBI
Epigallocatechin 3-gallateChEBI
(-)-Epigallocatechin-3-O-gallic acidGenerator
[(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoic acidGenerator
Epigallocatechin 3-gallic acidGenerator
Epigallocatechin gallic acidGenerator
(-)-Epigallocatechin gallatHMDB
(-)-Epigallocatechin gallateHMDB
(-)-Epigallocatechol gallateHMDB
(-)-Epigallocatehin gallateHMDB
Catechin deriv.HMDB
Epigallocatcchin gallateHMDB
EpigallocateHMDB
Epigallocic acidHMDB
Galloyl-L-epigallocatecholHMDB
Tea catechinHMDB
Epigallo-catechin gallateHMDB
Epigallocatechin-3-gallateHMDB
SunphenonHMDB
EGCG CPDHMDB
Epigallocatechin-3-O-gallateHMDB
Chemical FormulaC22H18O11
Average Molecular Weight458.3717
Monoisotopic Molecular Weight458.084911418
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 Number989-51-5
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 KeyWMBWREPUVVBILR-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.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavans
Direct ParentCatechin 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 FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationSource
ProcessNot Available
Role
Biological roleIndustrial applicationIndirect biological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point140 - 142 °CNot Available
Boiling Point909.00 to 910.00 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility32.77 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP0.639 (est)The Good Scents Company Information System
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+Not Available206.134http://allccs.zhulab.cn/database/detail?ID=AllCCS00001418
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.073 g/LALOGPS
logP2.38ALOGPS
logP3.08ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)7.99ChemAxon
pKa (Strongest Basic)-5.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area197.37 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity111.75 m³·mol⁻¹ChemAxon
Polarizability43.27 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+205.24431661259
DarkChem[M-H]-200.24731661259
DeepCCS[M+H]+203.65530932474
DeepCCS[M-H]-201.71830932474
DeepCCS[M-2H]-234.95930932474
DeepCCS[M+Na]+209.56830932474
AllCCS[M+H]+204.632859911
AllCCS[M+H-H2O]+202.332859911
AllCCS[M+NH4]+206.832859911
AllCCS[M+Na]+207.432859911
AllCCS[M-H]-201.532859911
AllCCS[M+Na-2H]-201.732859911
AllCCS[M+HCOO]-201.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
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)=C16560.6Standard polar33892256
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)=C14452.1Standard non polar33892256
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)=C14656.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Epigallocatechin gallate,1TMS,isomer #1C[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)O24546.7Semi standard non polar33892256
Epigallocatechin gallate,1TMS,isomer #2C[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=C14577.8Semi standard non polar33892256
Epigallocatechin gallate,1TMS,isomer #3C[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)=C1O4577.8Semi standard non polar33892256
Epigallocatechin gallate,1TMS,isomer #4C[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=C1O4565.2Semi standard non polar33892256
Epigallocatechin gallate,1TMS,isomer #5C[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)=C1O4589.0Semi standard non polar33892256
Epigallocatechin gallate,1TMS,isomer #6C[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=C1O4565.0Semi standard non polar33892256
Epigallocatechin gallate,2TMS,isomer #1C[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)=C14370.9Semi standard non polar33892256
Epigallocatechin gallate,2TMS,isomer #10C[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)=C1O4407.6Semi standard non polar33892256
Epigallocatechin gallate,2TMS,isomer #11C[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)=C1O4405.5Semi standard non polar33892256
Epigallocatechin gallate,2TMS,isomer #12C[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)=C1O4448.4Semi standard non polar33892256
Epigallocatechin gallate,2TMS,isomer #13C[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)C4393.9Semi standard non polar33892256
Epigallocatechin gallate,2TMS,isomer #14C[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)=C1O4429.2Semi standard non polar33892256
Epigallocatechin gallate,2TMS,isomer #15C[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=C1O4423.6Semi standard non polar33892256
Epigallocatechin gallate,2TMS,isomer #16C[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)=C1O4471.3Semi standard non polar33892256
Epigallocatechin gallate,2TMS,isomer #17C[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)C4405.8Semi standard non polar33892256
Epigallocatechin gallate,2TMS,isomer #2C[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)=C1O4402.9Semi standard non polar33892256
Epigallocatechin gallate,2TMS,isomer #3C[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)O24356.2Semi standard non polar33892256
Epigallocatechin gallate,2TMS,isomer #4C[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)=C1O4385.7Semi standard non polar33892256
Epigallocatechin gallate,2TMS,isomer #5C[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)O24347.3Semi standard non polar33892256
Epigallocatechin gallate,2TMS,isomer #6C[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=C14409.2Semi standard non polar33892256
Epigallocatechin gallate,2TMS,isomer #7C[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=C14387.0Semi standard non polar33892256
Epigallocatechin gallate,2TMS,isomer #8C[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=C14428.4Semi standard non polar33892256
Epigallocatechin gallate,2TMS,isomer #9C[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=C14398.2Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #1C[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)=C14232.9Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #10C[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)O24144.9Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #11C[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)=C1O4266.9Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #12C[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)O24239.5Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #13C[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=C14290.3Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #14C[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=C14257.4Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #15C[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=C14238.8Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #16C[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=C14176.2Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #17C[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=C14182.0Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #18C[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=C14198.9Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #19C[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=C14317.1Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #2C[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)=C14181.9Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #20C[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=C14266.4Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #21C[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)=C1O4295.5Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #22C[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)=C1O4264.6Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #23C[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)=C1O4298.5Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #24C[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)=C1O4252.1Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #25C[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)=C1O4248.1Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #26C[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)C4228.9Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #27C[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)C4291.2Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #28C[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)=C1O4272.9Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #29C[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)C4234.4Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #3C[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)=C14212.7Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #30C[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)C4288.4Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #4C[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)=C14177.0Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #5C[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)=C1O4231.4Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #6C[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)=C1O4187.6Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #7C[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)=C1O4291.3Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #8C[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)O24243.4Semi standard non polar33892256
Epigallocatechin gallate,3TMS,isomer #9C[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)=C1O4176.8Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #1C[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)=C14128.7Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #10C[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)=C1O4070.2Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #11C[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)=C1O4086.8Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #12C[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)=C1O4053.3Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #13C[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)=C1O4047.6Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #14C[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)O24021.0Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #15C[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)O24185.3Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #16C[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)=C1O4034.2Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #17C[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)O24019.8Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #18C[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)O24188.8Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #19C[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=C14204.9Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #2C[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)=C14097.7Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #20C[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=C14072.9Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #21C[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=C14076.5Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #22C[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=C14065.9Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #23C[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=C14071.3Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #24C[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=C14077.3Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #25C[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=C14048.1Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #26C[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=C14090.2Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #27C[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=C14072.7Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #28C[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=C14203.2Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #29C[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)=C1O4188.5Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #3C[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)=C14037.5Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #30C[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)=C1O4133.2Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #31C[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)=C1O4102.5Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #32C[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)=C1O4125.6Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #33C[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)C4092.7Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #34C[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)=C1O4166.9Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #35C[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)C4113.0Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #36C[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)C4109.4Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #4C[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)=C14008.8Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #5C[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)=C13995.2Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #6C[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)=C14097.6Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #7C[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)=C14113.1Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #8C[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)=C14097.5Semi standard non polar33892256
Epigallocatechin gallate,4TMS,isomer #9C[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)=C1O4073.9Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #1C[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)=C14070.1Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #10C[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)=C14076.7Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #11C[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)=C1O4029.2Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #12C[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)=C1O4001.1Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #13C[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)=C1O3997.8Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #14C[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)=C1O4002.4Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #15C[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)O23989.6Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #16C[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)=C1O4013.2Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #17C[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)O24008.9Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #18C[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)O24015.2Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #19C[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=C14044.2Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #2C[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)=C13980.9Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #20C[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=C14051.1Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #21C[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=C14030.0Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #22C[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=C14029.5Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #23C[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=C14032.1Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #24C[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=C14025.3Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #25C[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=C14024.0Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #26C[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=C14042.6Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #27C[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)=C1O4068.6Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #28C[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)C4049.4Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #29C[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)=C1O4046.3Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #3C[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)=C14052.5Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #30C[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)C4039.1Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #4C[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)=C13980.6Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #5C[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)=C14040.9Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #6C[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)=C13985.6Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #7C[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)=C13988.6Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #8C[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)=C14047.0Semi standard non polar33892256
Epigallocatechin gallate,5TMS,isomer #9C[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)=C14041.6Semi standard non polar33892256
Epigallocatechin gallate,6TMS,isomer #1C[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)=C14008.2Semi standard non polar33892256
Epigallocatechin gallate,6TMS,isomer #10C[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)O24025.2Semi standard non polar33892256
Epigallocatechin gallate,6TMS,isomer #11C[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)=C1O4025.7Semi standard non polar33892256
Epigallocatechin gallate,6TMS,isomer #12C[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)O24020.9Semi standard non polar33892256
Epigallocatechin gallate,6TMS,isomer #13C[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=C14057.2Semi standard non polar33892256
Epigallocatechin gallate,6TMS,isomer #14C[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=C14045.7Semi standard non polar33892256
Epigallocatechin gallate,6TMS,isomer #15C[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=C14041.3Semi standard non polar33892256
Epigallocatechin gallate,6TMS,isomer #16C[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=C14037.3Semi standard non polar33892256
Epigallocatechin gallate,6TMS,isomer #17C[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)C4051.5Semi standard non polar33892256
Epigallocatechin gallate,6TMS,isomer #2C[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)=C14030.1Semi standard non polar33892256
Epigallocatechin gallate,6TMS,isomer #3C[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)=C14018.4Semi standard non polar33892256
Epigallocatechin gallate,6TMS,isomer #4C[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)=C14022.0Semi standard non polar33892256
Epigallocatechin gallate,6TMS,isomer #5C[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)=C14012.1Semi standard non polar33892256
Epigallocatechin gallate,6TMS,isomer #6C[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)=C14010.3Semi standard non polar33892256
Epigallocatechin gallate,6TMS,isomer #7C[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)=C14025.6Semi standard non polar33892256
Epigallocatechin gallate,6TMS,isomer #8C[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)=C14039.8Semi standard non polar33892256
Epigallocatechin gallate,6TMS,isomer #9C[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)=C1O4040.9Semi standard non polar33892256
Epigallocatechin gallate,1TBDMS,isomer #1CC(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)O24832.0Semi standard non polar33892256
Epigallocatechin gallate,1TBDMS,isomer #2CC(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=C14863.5Semi standard non polar33892256
Epigallocatechin gallate,1TBDMS,isomer #3CC(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)=C1O4888.0Semi standard non polar33892256
Epigallocatechin gallate,1TBDMS,isomer #4CC(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=C1O4899.9Semi standard non polar33892256
Epigallocatechin gallate,1TBDMS,isomer #5CC(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)=C1O4887.8Semi standard non polar33892256
Epigallocatechin gallate,1TBDMS,isomer #6CC(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=C1O4903.4Semi standard non polar33892256
Epigallocatechin gallate,2TBDMS,isomer #1CC(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)=C14923.2Semi standard non polar33892256
Epigallocatechin gallate,2TBDMS,isomer #10CC(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)=C1O5051.8Semi standard non polar33892256
Epigallocatechin gallate,2TBDMS,isomer #11CC(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)=C1O5053.5Semi standard non polar33892256
Epigallocatechin gallate,2TBDMS,isomer #12CC(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)=C1O5054.0Semi standard non polar33892256
Epigallocatechin gallate,2TBDMS,isomer #13CC(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)C4996.1Semi standard non polar33892256
Epigallocatechin gallate,2TBDMS,isomer #14CC(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)=C1O5055.3Semi standard non polar33892256
Epigallocatechin gallate,2TBDMS,isomer #15CC(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=C1O5054.6Semi standard non polar33892256
Epigallocatechin gallate,2TBDMS,isomer #16CC(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)=C1O5070.2Semi standard non polar33892256
Epigallocatechin gallate,2TBDMS,isomer #17CC(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)C5010.4Semi standard non polar33892256
Epigallocatechin gallate,2TBDMS,isomer #2CC(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)=C1O4974.6Semi standard non polar33892256
Epigallocatechin gallate,2TBDMS,isomer #3CC(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)O24963.6Semi standard non polar33892256
Epigallocatechin gallate,2TBDMS,isomer #4CC(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)=C1O4965.7Semi standard non polar33892256
Epigallocatechin gallate,2TBDMS,isomer #5CC(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)O24952.8Semi standard non polar33892256
Epigallocatechin gallate,2TBDMS,isomer #6CC(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=C15002.3Semi standard non polar33892256
Epigallocatechin gallate,2TBDMS,isomer #7CC(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=C14988.8Semi standard non polar33892256
Epigallocatechin gallate,2TBDMS,isomer #8CC(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=C15014.5Semi standard non polar33892256
Epigallocatechin gallate,2TBDMS,isomer #9CC(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=C14996.2Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #1CC(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)=C14979.8Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #10CC(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)O25001.0Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #11CC(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)=C1O5038.4Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #12CC(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)O24990.7Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #13CC(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=C15052.2Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #14CC(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=C15008.2Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #15CC(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=C15014.7Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #16CC(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=C14992.2Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #17CC(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=C14996.9Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #18CC(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=C15057.3Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #19CC(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=C15073.2Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #2CC(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)=C14959.7Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #20CC(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=C15012.5Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #21CC(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)=C1O5080.7Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #22CC(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)=C1O5038.8Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #23CC(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)=C1O5095.1Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #24CC(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)=C1O5038.0Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #25CC(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)=C1O5066.5Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #26CC(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)C5024.9Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #27CC(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)C5043.2Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #28CC(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)=C1O5083.9Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #29CC(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)C5026.8Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #3CC(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)=C14967.8Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #30CC(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)C5050.1Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #4CC(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)=C14960.2Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #5CC(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)=C1O5004.1Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #6CC(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)=C1O4972.6Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #7CC(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)=C1O5059.5Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #8CC(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)O24998.7Semi standard non polar33892256
Epigallocatechin gallate,3TBDMS,isomer #9CC(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)=C1O4968.2Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Epigallocatechin gallate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0ug0-0930000000-f01263ac8498e09a9b962017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epigallocatechin gallate GC-MS (3 TMS) - 70eV, Positivesplash10-0002-1192005000-c1fb4fee1e85d6928c342017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epigallocatechin gallate GC-MS (TBDMS_3_24) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epigallocatechin gallate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Epigallocatechin gallate GC-MS ("Epigallocatechin gallate,3TBDMS,#24" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF 10V, Negative-QTOFsplash10-0a4i-0301900000-306bcb88a9db3b6314472017-08-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF 40V, Negative-QTOFsplash10-00or-0900000000-2209ff009c5d9cffaf402017-08-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF , Negative-QTOFsplash10-0aor-0000900008-24e0bb519bd4a4f909f02017-08-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF 20V, Negative-QTOFsplash10-014i-0912000000-3adc2bfa8656374fadff2017-08-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF 50V, Negative-QTOFsplash10-004i-0900000000-421d0afdbaa8c277f57a2017-08-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF 30V, Negative-QTOFsplash10-014i-0911000000-8cd4fb88571a263c38ab2017-08-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF 10V, Negative-QTOFsplash10-0a4i-0301900000-306bcb88a9db3b6314472017-09-12HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF 40V, Negative-QTOFsplash10-00or-0900000000-2209ff009c5d9cffaf402017-09-12HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF , Negative-QTOFsplash10-0aor-0000900008-24e0bb519bd4a4f909f02017-09-12HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF 20V, Negative-QTOFsplash10-014i-0912000000-3adc2bfa8656374fadff2017-09-12HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF 50V, Negative-QTOFsplash10-004i-0900000000-421d0afdbaa8c277f57a2017-09-12HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Epigallocatechin gallate ESI-TOF 30V, Negative-QTOFsplash10-014i-0911000000-8cd4fb88571a263c38ab2017-09-12HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Epigallocatechin gallate LC-ESI-qTof , Positive-QTOFsplash10-000i-0910000000-3ca87cd7e5536628266a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Epigallocatechin gallate Linear Ion Trap , negative-QTOFsplash10-0159-0917000000-0d7d5d2e8b3cd65a61342017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Epigallocatechin gallate Linear Ion Trap , negative-QTOFsplash10-0159-0917000000-b1f0fb994ee815d3bc772017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Epigallocatechin gallate , negative-QTOFsplash10-014i-0900000000-d3719d6cc341aafdd5ca2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Epigallocatechin gallate , negative-QTOFsplash10-014i-0901000000-bbef161918123e6de6a92017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Epigallocatechin gallate Linear Ion Trap , positive-QTOFsplash10-000i-0691000000-bf8635f20994642ca7692017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Epigallocatechin gallate Linear Ion Trap , positive-QTOFsplash10-000i-0690000000-46717d45926c7c5d1a6d2017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epigallocatechin gallate 10V, Positive-QTOFsplash10-052r-0920500000-a974f0f3117ff4b93e422016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epigallocatechin gallate 20V, Positive-QTOFsplash10-0fe0-0910100000-a2be3929b160816f337a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epigallocatechin gallate 40V, Positive-QTOFsplash10-0079-2900000000-c4f287a63df4876151802016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epigallocatechin gallate 10V, Negative-QTOFsplash10-0a4i-0301900000-4bd59275b184970a157f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epigallocatechin gallate 20V, Negative-QTOFsplash10-066r-0916400000-8e2c614db7634a27ffdd2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Epigallocatechin gallate 40V, Negative-QTOFsplash10-00or-0900000000-236dc720968cdbf038112016-08-03Wishart LabView 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
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 129 details
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 129 details
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 129 details
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 129 details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 129 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 129 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 129 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 129 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB12116
Phenol Explorer Compound ID129
FooDB IDFDB093704
KNApSAcK IDC00000958
Chemspider ID58575
KEGG Compound IDC09731
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkEpigallocatechin_gallate
METLIN ID3550
PubChem Compound65064
PDB IDNot Available
ChEBI ID4806
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1654041
References
Synthesis ReferenceLiang, 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
  1. 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 ]
  2. 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 ]
  3. 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 ]
  4. 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 ]
  5. 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 ]
  6. 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 ]
  7. 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 ]
  8. 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 ]
  9. 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 ]
  10. 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 ]
  11. 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 ]
  12. 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 ]
  13. 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 ]
  14. 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 ]
  15. 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 ]
  16. 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 ]
  17. 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 ]
  18. 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 ]
  19. 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 ]
  20. 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 ]