Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (4) Show 4 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:47:11 UTC

Update Date

2022-03-07 02:53:12 UTC

HMDB ID

HMDB0032007

Secondary Accession Numbers

HMDB32007

Metabolite Identification

Common Name

Epifisetinidol-(4beta->8)-catechin

Description

Epifisetinidol-(4beta->8)-catechin belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. Based on a literature review very few articles have been published on Epifisetinidol-(4beta->8)-catechin.

Structure

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


  Mrv0541 05061306182D          

 41 46  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
 12  1  1  0  0  0  0
 12  7  2  0  0  0  0
 13  2  1  0  0  0  0
 13  8  2  0  0  0  0
 14  3  1  0  0  0  0
 14  9  2  0  0  0  0
 15  4  1  0  0  0  0
 16 10  1  0  0  0  0
 17  5  1  0  0  0  0
 18  6  1  0  0  0  0
 19 11  2  0  0  0  0
 19 16  1  0  0  0  0
 20  7  1  0  0  0  0
 20 17  2  0  0  0  0
 21  8  1  0  0  0  0
 21 18  2  0  0  0  0
 22 11  1  0  0  0  0
 23 10  1  0  0  0  0
 24  9  1  0  0  0  0
 24 15  2  0  0  0  0
 25 15  1  0  0  0  0
 26 22  2  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
 28 12  1  0  0  0  0
 28 23  1  0  0  0  0
 29 13  1  0  0  0  0
 29 27  1  0  0  0  0
 30 16  2  0  0  0  0
 30 26  1  0  0  0  0
 31 14  1  0  0  0  0
 32 17  1  0  0  0  0
 33 18  1  0  0  0  0
 34 19  1  0  0  0  0
 35 20  1  0  0  0  0
 36 21  1  0  0  0  0
 37 22  1  0  0  0  0
 38 23  1  0  0  0  0
 39 27  1  0  0  0  0
 40 24  1  0  0  0  0
 40 29  1  0  0  0  0
 41 28  1  0  0  0  0
 41 30  1  0  0  0  0
M  END

HMDB0032007
     RDKit          3D
Epifisetinidol-(4beta->8)-catechin
 67 72  0  0  0  0  0  0  0  0999 V2000
   -4.5854   -3.4614    3.0941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6695   -3.1153    2.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4561   -3.7465    1.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5634   -3.3751    0.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9046   -2.3382    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0962   -1.6875    0.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9829   -2.0826    1.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4540   -0.6223   -0.5839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4865   -0.0245   -1.4462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7482    1.4485   -1.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0604    1.9181   -1.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3822    3.2443   -1.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3596    4.1950   -1.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7435    5.5213   -1.3621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0513    3.7706   -1.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9984    4.6966   -1.4534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7670    2.4046   -1.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0802   -0.3583   -0.9122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0782    0.0737    0.4099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0170   -1.8637   -0.9528 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2906   -2.4734   -0.9562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4319   -3.7800   -1.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6717   -4.5398   -1.8054 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6662   -4.3744   -1.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8314   -3.7147   -0.9667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0700   -4.3443   -0.9801 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6819   -2.4124   -0.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4205   -1.8050   -0.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4352   -0.4927   -0.1074 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4676    0.4178   -0.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047    1.5603    0.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    2.8474    0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6910    3.9364    0.9043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5746    3.7256    2.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6183    4.8552    3.0846 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    2.4649    2.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3097    2.2643    4.1353 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3935    1.4075    1.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8033   -0.2269   -0.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2310   -0.2211   -1.9013 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8680   -1.6488   -0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4467   -4.1974    3.7560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2023   -4.5693    2.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -3.9031    0.8595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9263   -1.5267    1.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5271   -0.4418   -2.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8600    1.1799   -1.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4224    3.5443   -1.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0995    6.2880   -1.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2161    5.6703   -1.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7238    2.1220   -1.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3220    0.1628   -1.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7799    0.9764    0.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5374   -2.1869   -1.9106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5602   -5.4965   -2.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7560   -5.3954   -1.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1032   -5.3041   -1.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897    0.8385   -1.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7435    2.9963   -1.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8099    4.9270    0.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7284    5.7884    2.7218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3400    3.0700    4.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2754    0.4145    2.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5495    0.3546    0.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6922    0.4751   -2.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8162   -2.0762   -0.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0071   -1.7538    0.9983 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
  9 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36 38  2  0
 30 39  1  0
 39 40  1  0
 39 41  1  0
  7  2  1  0
 17 10  1  0
 28 21  1  0
 38 31  1  0
 20  5  1  0
 41 27  1  0
  1 42  1  0
  3 43  1  0
  4 44  1  0
  7 45  1  0
  9 46  1  0
 11 47  1  0
 12 48  1  0
 14 49  1  0
 16 50  1  0
 17 51  1  0
 18 52  1  0
 19 53  1  0
 20 54  1  0
 23 55  1  0
 24 56  1  0
 26 57  1  0
 30 58  1  0
 32 59  1  0
 33 60  1  0
 35 61  1  0
 37 62  1  0
 38 63  1  0
 39 64  1  0
 40 65  1  0
 41 66  1  0
 41 67  1  0
M  END


  Mrv0541 05061306182D          

 41 46  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
 12  1  1  0  0  0  0
 12  7  2  0  0  0  0
 13  2  1  0  0  0  0
 13  8  2  0  0  0  0
 14  3  1  0  0  0  0
 14  9  2  0  0  0  0
 15  4  1  0  0  0  0
 16 10  1  0  0  0  0
 17  5  1  0  0  0  0
 18  6  1  0  0  0  0
 19 11  2  0  0  0  0
 19 16  1  0  0  0  0
 20  7  1  0  0  0  0
 20 17  2  0  0  0  0
 21  8  1  0  0  0  0
 21 18  2  0  0  0  0
 22 11  1  0  0  0  0
 23 10  1  0  0  0  0
 24  9  1  0  0  0  0
 24 15  2  0  0  0  0
 25 15  1  0  0  0  0
 26 22  2  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
 28 12  1  0  0  0  0
 28 23  1  0  0  0  0
 29 13  1  0  0  0  0
 29 27  1  0  0  0  0
 30 16  2  0  0  0  0
 30 26  1  0  0  0  0
 31 14  1  0  0  0  0
 32 17  1  0  0  0  0
 33 18  1  0  0  0  0
 34 19  1  0  0  0  0
 35 20  1  0  0  0  0
 36 21  1  0  0  0  0
 37 22  1  0  0  0  0
 38 23  1  0  0  0  0
 39 27  1  0  0  0  0
 40 24  1  0  0  0  0
 40 29  1  0  0  0  0
 41 28  1  0  0  0  0
 41 30  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0032007

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C(C1C(O)C(OC3=C1C=CC(O)=C3)C1=CC(O)=C(O)C=C1)=C(O)C=C2O

> <INCHI_IDENTIFIER>
InChI=1S/C30H26O11/c31-14-3-4-15-24(9-14)40-29(13-2-6-18(33)21(36)8-13)27(39)25(15)26-22(37)11-19(34)16-10-23(38)28(41-30(16)26)12-1-5-17(32)20(35)7-12/h1-9,11,23,25,27-29,31-39H,10H2

> <INCHI_KEY>
CVPALQKJIJFGCD-UHFFFAOYSA-N

> <FORMULA>
C30H26O11

> <MOLECULAR_WEIGHT>
562.5208

> <EXACT_MASS>
562.147511674

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
56.352582573911874

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

> <ALOGPS_LOGP>
2.40

> <JCHEM_LOGP>
3.419310335333334

> <ALOGPS_LOGS>
-3.86

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.176206311338191

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.732490367452916

> <JCHEM_PKA_STRONGEST_BASIC>
-3.445237910704024

> <JCHEM_POLAR_SURFACE_AREA>
200.52999999999997

> <JCHEM_REFRACTIVITY>
144.52710000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.82e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0032007
     RDKit          3D
Epifisetinidol-(4beta->8)-catechin
 67 72  0  0  0  0  0  0  0  0999 V2000
   -4.5854   -3.4614    3.0941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6695   -3.1153    2.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4561   -3.7465    1.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5634   -3.3751    0.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9046   -2.3382    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0962   -1.6875    0.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9829   -2.0826    1.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4540   -0.6223   -0.5839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4865   -0.0245   -1.4462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7482    1.4485   -1.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0604    1.9181   -1.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3822    3.2443   -1.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3596    4.1950   -1.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7435    5.5213   -1.3621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0513    3.7706   -1.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9984    4.6966   -1.4534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7670    2.4046   -1.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0802   -0.3583   -0.9122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0782    0.0737    0.4099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0170   -1.8637   -0.9528 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2906   -2.4734   -0.9562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4319   -3.7800   -1.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6717   -4.5398   -1.8054 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6662   -4.3744   -1.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8314   -3.7147   -0.9667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0700   -4.3443   -0.9801 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6819   -2.4124   -0.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4205   -1.8050   -0.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4352   -0.4927   -0.1074 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4676    0.4178   -0.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047    1.5603    0.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    2.8474    0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6910    3.9364    0.9043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5746    3.7256    2.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6183    4.8552    3.0846 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    2.4649    2.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3097    2.2643    4.1353 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3935    1.4075    1.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8033   -0.2269   -0.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2310   -0.2211   -1.9013 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8680   -1.6488   -0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4467   -4.1974    3.7560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2023   -4.5693    2.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -3.9031    0.8595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9263   -1.5267    1.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5271   -0.4418   -2.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8600    1.1799   -1.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4224    3.5443   -1.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0995    6.2880   -1.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2161    5.6703   -1.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7238    2.1220   -1.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3220    0.1628   -1.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7799    0.9764    0.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5374   -2.1869   -1.9106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5602   -5.4965   -2.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7560   -5.3954   -1.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1032   -5.3041   -1.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897    0.8385   -1.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7435    2.9963   -1.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8099    4.9270    0.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7284    5.7884    2.7218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3400    3.0700    4.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2754    0.4145    2.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5495    0.3546    0.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6922    0.4751   -2.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8162   -2.0762   -0.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0071   -1.7538    0.9983 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
  9 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36 38  2  0
 30 39  1  0
 39 40  1  0
 39 41  1  0
  7  2  1  0
 17 10  1  0
 28 21  1  0
 38 31  1  0
 20  5  1  0
 41 27  1  0
  1 42  1  0
  3 43  1  0
  4 44  1  0
  7 45  1  0
  9 46  1  0
 11 47  1  0
 12 48  1  0
 14 49  1  0
 16 50  1  0
 17 51  1  0
 18 52  1  0
 19 53  1  0
 20 54  1  0
 23 55  1  0
 24 56  1  0
 26 57  1  0
 30 58  1  0
 32 59  1  0
 33 60  1  0
 35 61  1  0
 37 62  1  0
 38 63  1  0
 39 64  1  0
 40 65  1  0
 41 66  1  0
 41 67  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      13.337  -7.700   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      13.337  -4.620   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       1.334   2.310   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       9.336  -2.310   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
CONECT    1    5   12                                                       
CONECT    2    6   13                                                       
CONECT    3    4   14                                                       
CONECT    4    3   15                                                       
CONECT    5    1   17                                                       
CONECT    6    2   18                                                       
CONECT    7   12   20                                                       
CONECT    8   13   21                                                       
CONECT    9   14   24                                                       
CONECT   10   16   23                                                       
CONECT   11   19   22                                                       
CONECT   12    1    7   28                                                  
CONECT   13    2    8   29                                                  
CONECT   14    3    9   31                                                  
CONECT   15    4   24   25                                                  
CONECT   16   10   19   30                                                  
CONECT   17    5   20   32                                                  
CONECT   18    6   21   33                                                  
CONECT   19   11   16   34                                                  
CONECT   20    7   17   35                                                  
CONECT   21    8   18   36                                                  
CONECT   22   11   26   37                                                  
CONECT   23   10   28   38                                                  
CONECT   24    9   15   40                                                  
CONECT   25   15   26   27                                                  
CONECT   26   22   25   30                                                  
CONECT   27   25   29   39                                                  
CONECT   28   12   23   41                                                  
CONECT   29   13   27   40                                                  
CONECT   30   16   26   41                                                  
CONECT   31   14                                                            
CONECT   32   17                                                            
CONECT   33   18                                                            
CONECT   34   19                                                            
CONECT   35   20                                                            
CONECT   36   21                                                            
CONECT   37   22                                                            
CONECT   38   23                                                            
CONECT   39   27                                                            
CONECT   40   24   29                                                       
CONECT   41   28   30                                                       
MASTER        0    0    0    0    0    0    0    0   41    0   92    0
END

COMPND    HMDB0032007
HETATM    1  O1  UNL     1      -4.585  -3.461   3.094  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.669  -3.115   2.121  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.456  -3.747   1.949  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.563  -3.375   0.965  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.905  -2.338   0.131  1.00  0.00           C  
HETATM    6  C5  UNL     1      -3.096  -1.687   0.268  1.00  0.00           C  
HETATM    7  C6  UNL     1      -3.983  -2.083   1.272  1.00  0.00           C  
HETATM    8  O2  UNL     1      -3.454  -0.622  -0.584  1.00  0.00           O  
HETATM    9  C7  UNL     1      -2.487  -0.024  -1.446  1.00  0.00           C  
HETATM   10  C8  UNL     1      -2.748   1.449  -1.416  1.00  0.00           C  
HETATM   11  C9  UNL     1      -4.060   1.918  -1.373  1.00  0.00           C  
HETATM   12  C10 UNL     1      -4.382   3.244  -1.355  1.00  0.00           C  
HETATM   13  C11 UNL     1      -3.360   4.195  -1.382  1.00  0.00           C  
HETATM   14  O3  UNL     1      -3.743   5.521  -1.362  1.00  0.00           O  
HETATM   15  C12 UNL     1      -2.051   3.771  -1.425  1.00  0.00           C  
HETATM   16  O4  UNL     1      -0.998   4.697  -1.453  1.00  0.00           O  
HETATM   17  C13 UNL     1      -1.767   2.405  -1.442  1.00  0.00           C  
HETATM   18  C14 UNL     1      -1.080  -0.358  -0.912  1.00  0.00           C  
HETATM   19  O5  UNL     1      -1.078   0.074   0.410  1.00  0.00           O  
HETATM   20  C15 UNL     1      -1.017  -1.864  -0.953  1.00  0.00           C  
HETATM   21  C16 UNL     1       0.291  -2.473  -0.956  1.00  0.00           C  
HETATM   22  C17 UNL     1       0.432  -3.780  -1.373  1.00  0.00           C  
HETATM   23  O6  UNL     1      -0.672  -4.540  -1.805  1.00  0.00           O  
HETATM   24  C18 UNL     1       1.666  -4.374  -1.375  1.00  0.00           C  
HETATM   25  C19 UNL     1       2.831  -3.715  -0.967  1.00  0.00           C  
HETATM   26  O7  UNL     1       4.070  -4.344  -0.980  1.00  0.00           O  
HETATM   27  C20 UNL     1       2.682  -2.412  -0.553  1.00  0.00           C  
HETATM   28  C21 UNL     1       1.421  -1.805  -0.551  1.00  0.00           C  
HETATM   29  O8  UNL     1       1.435  -0.493  -0.107  1.00  0.00           O  
HETATM   30  C22 UNL     1       2.468   0.418  -0.417  1.00  0.00           C  
HETATM   31  C23 UNL     1       2.505   1.560   0.512  1.00  0.00           C  
HETATM   32  C24 UNL     1       2.654   2.847   0.047  1.00  0.00           C  
HETATM   33  C25 UNL     1       2.691   3.936   0.904  1.00  0.00           C  
HETATM   34  C26 UNL     1       2.575   3.726   2.270  1.00  0.00           C  
HETATM   35  O9  UNL     1       2.618   4.855   3.085  1.00  0.00           O  
HETATM   36  C27 UNL     1       2.425   2.465   2.769  1.00  0.00           C  
HETATM   37  O10 UNL     1       2.310   2.264   4.135  1.00  0.00           O  
HETATM   38  C28 UNL     1       2.394   1.408   1.876  1.00  0.00           C  
HETATM   39  C29 UNL     1       3.803  -0.227  -0.554  1.00  0.00           C  
HETATM   40  O11 UNL     1       4.231  -0.221  -1.901  1.00  0.00           O  
HETATM   41  C30 UNL     1       3.868  -1.649  -0.103  1.00  0.00           C  
HETATM   42  H1  UNL     1      -4.447  -4.197   3.756  1.00  0.00           H  
HETATM   43  H2  UNL     1      -2.202  -4.569   2.623  1.00  0.00           H  
HETATM   44  H3  UNL     1      -0.600  -3.903   0.859  1.00  0.00           H  
HETATM   45  H4  UNL     1      -4.926  -1.527   1.339  1.00  0.00           H  
HETATM   46  H5  UNL     1      -2.527  -0.442  -2.472  1.00  0.00           H  
HETATM   47  H6  UNL     1      -4.860   1.180  -1.352  1.00  0.00           H  
HETATM   48  H7  UNL     1      -5.422   3.544  -1.321  1.00  0.00           H  
HETATM   49  H8  UNL     1      -3.099   6.288  -1.377  1.00  0.00           H  
HETATM   50  H9  UNL     1      -1.216   5.670  -1.442  1.00  0.00           H  
HETATM   51  H10 UNL     1      -0.724   2.122  -1.486  1.00  0.00           H  
HETATM   52  H11 UNL     1      -0.322   0.163  -1.466  1.00  0.00           H  
HETATM   53  H12 UNL     1      -0.780   0.976   0.569  1.00  0.00           H  
HETATM   54  H13 UNL     1      -1.537  -2.187  -1.911  1.00  0.00           H  
HETATM   55  H14 UNL     1      -0.560  -5.496  -2.109  1.00  0.00           H  
HETATM   56  H15 UNL     1       1.756  -5.395  -1.704  1.00  0.00           H  
HETATM   57  H16 UNL     1       4.103  -5.304  -1.297  1.00  0.00           H  
HETATM   58  H17 UNL     1       2.190   0.838  -1.432  1.00  0.00           H  
HETATM   59  H18 UNL     1       2.743   2.996  -1.014  1.00  0.00           H  
HETATM   60  H19 UNL     1       2.810   4.927   0.487  1.00  0.00           H  
HETATM   61  H20 UNL     1       2.728   5.788   2.722  1.00  0.00           H  
HETATM   62  H21 UNL     1       2.340   3.070   4.738  1.00  0.00           H  
HETATM   63  H22 UNL     1       2.275   0.415   2.274  1.00  0.00           H  
HETATM   64  H23 UNL     1       4.550   0.355   0.043  1.00  0.00           H  
HETATM   65  H24 UNL     1       3.692   0.475  -2.350  1.00  0.00           H  
HETATM   66  H25 UNL     1       4.816  -2.076  -0.544  1.00  0.00           H  
HETATM   67  H26 UNL     1       4.007  -1.754   0.998  1.00  0.00           H  
CONECT    1    2   42
CONECT    2    3    3    7
CONECT    3    4   43
CONECT    4    5    5   44
CONECT    5    6   20
CONECT    6    7    7    8
CONECT    7   45
CONECT    8    9
CONECT    9   10   18   46
CONECT   10   11   11   17
CONECT   11   12   47
CONECT   12   13   13   48
CONECT   13   14   15
CONECT   14   49
CONECT   15   16   17   17
CONECT   16   50
CONECT   17   51
CONECT   18   19   20   52
CONECT   19   53
CONECT   20   21   54
CONECT   21   22   22   28
CONECT   22   23   24
CONECT   23   55
CONECT   24   25   25   56
CONECT   25   26   27
CONECT   26   57
CONECT   27   28   28   41
CONECT   28   29
CONECT   29   30
CONECT   30   31   39   58
CONECT   31   32   32   38
CONECT   32   33   59
CONECT   33   34   34   60
CONECT   34   35   36
CONECT   35   61
CONECT   36   37   38   38
CONECT   37   62
CONECT   38   63
CONECT   39   40   41   64
CONECT   40   65
CONECT   41   66   67
END

HMDB0032007
     RDKit          3D
Epifisetinidol-(4beta->8)-catechin
 67 72  0  0  0  0  0  0  0  0999 V2000
   -4.5854   -3.4614    3.0941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6695   -3.1153    2.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4561   -3.7465    1.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5634   -3.3751    0.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9046   -2.3382    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0962   -1.6875    0.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9829   -2.0826    1.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4540   -0.6223   -0.5839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4865   -0.0245   -1.4462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7482    1.4485   -1.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0604    1.9181   -1.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3822    3.2443   -1.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3596    4.1950   -1.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7435    5.5213   -1.3621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0513    3.7706   -1.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9984    4.6966   -1.4534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7670    2.4046   -1.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0802   -0.3583   -0.9122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0782    0.0737    0.4099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0170   -1.8637   -0.9528 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2906   -2.4734   -0.9562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4319   -3.7800   -1.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6717   -4.5398   -1.8054 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6662   -4.3744   -1.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8314   -3.7147   -0.9667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0700   -4.3443   -0.9801 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6819   -2.4124   -0.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4205   -1.8050   -0.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4352   -0.4927   -0.1074 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4676    0.4178   -0.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047    1.5603    0.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    2.8474    0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6910    3.9364    0.9043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5746    3.7256    2.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6183    4.8552    3.0846 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    2.4649    2.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3097    2.2643    4.1353 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3935    1.4075    1.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8033   -0.2269   -0.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2310   -0.2211   -1.9013 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8680   -1.6488   -0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4467   -4.1974    3.7560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2023   -4.5693    2.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -3.9031    0.8595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9263   -1.5267    1.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5271   -0.4418   -2.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8600    1.1799   -1.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4224    3.5443   -1.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0995    6.2880   -1.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2161    5.6703   -1.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7238    2.1220   -1.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3220    0.1628   -1.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7799    0.9764    0.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5374   -2.1869   -1.9106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5602   -5.4965   -2.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7560   -5.3954   -1.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1032   -5.3041   -1.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897    0.8385   -1.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7435    2.9963   -1.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8099    4.9270    0.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7284    5.7884    2.7218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3400    3.0700    4.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2754    0.4145    2.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5495    0.3546    0.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6922    0.4751   -2.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8162   -2.0762   -0.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0071   -1.7538    0.9983 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
  9 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36 38  2  0
 30 39  1  0
 39 40  1  0
 39 41  1  0
  7  2  1  0
 17 10  1  0
 28 21  1  0
 38 31  1  0
 20  5  1  0
 41 27  1  0
  1 42  1  0
  3 43  1  0
  4 44  1  0
  7 45  1  0
  9 46  1  0
 11 47  1  0
 12 48  1  0
 14 49  1  0
 16 50  1  0
 17 51  1  0
 18 52  1  0
 19 53  1  0
 20 54  1  0
 23 55  1  0
 24 56  1  0
 26 57  1  0
 30 58  1  0
 32 59  1  0
 33 60  1  0
 35 61  1  0
 37 62  1  0
 38 63  1  0
 39 64  1  0
 40 65  1  0
 41 66  1  0
 41 67  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Epifisetinidol-(4b->8)-catechin	Generator
Epifisetinidol-(4β->8)-catechin	Generator
Epifisetinidol(4b->8)catechin	HMDB

Chemical Formula

C₃₀H₂₆O₁₁

Average Molecular Weight

562.5208

Monoisotopic Molecular Weight

562.147511674

IUPAC Name

2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

Traditional Name

2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

CAS Registry Number

Not Available

SMILES

OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C(C1C(O)C(OC3=C1C=CC(O)=C3)C1=CC(O)=C(O)C=C1)=C(O)C=C2O

InChI Identifier

InChI=1S/C30H26O11/c31-14-3-4-15-24(9-14)40-29(13-2-6-18(33)21(36)8-13)27(39)25(15)26-22(37)11-19(34)16-10-23(38)28(41-30(16)26)12-1-5-17(32)20(35)7-12/h1-9,11,23,25,27-29,31-39H,10H2

InChI Key

CVPALQKJIJFGCD-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Biflavonoids and polyflavonoids

Direct Parent

Biflavonoids and polyflavonoids

Alternative Parents

Substituents

B-type proanthocyanidin
Bi- and polyflavonoid skeleton
Proanthocyanidin
Catechin
Flavan-3-ol
Hydroxyflavonoid
3'-hydroxyflavonoid
7-hydroxyflavonoid
5-hydroxyflavonoid
4'-hydroxyflavonoid
3-hydroxyflavonoid
Flavan
Chromane
1-benzopyran
Benzopyran
Catechol
Phenol
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
Secondary alcohol
Polyol
Organoheterocyclic compound
Oxacycle
Ether
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0032007)
Cytoplasm (HMDB: HMDB0032007)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0032007)

Source

Endogenous

Endogenous (HMDB: HMDB0032007)

Plant

Plant (HMDB: HMDB0032007)

Exogenous

Food

Food (HMDB: HMDB0032007)

Fruit

Fruits (FooDB: FOOD00871)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.078 g/L	ALOGPS
logP	2.4	ALOGPS
logP	3.42	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Acidic)	8.73	ChemAxon
pKa (Strongest Basic)	-3.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	200.53 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	144.53 m³·mol⁻¹	ChemAxon
Polarizability	56.35 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	227.993	31661259
DarkChem	[M-H]-	219.821	31661259
DeepCCS	[M+H]+	216.734	30932474
DeepCCS	[M-H]-	214.591	30932474
DeepCCS	[M-2H]-	247.831	30932474
DeepCCS	[M+Na]+	222.643	30932474
AllCCS	[M+H]+	234.9	32859911
AllCCS	[M+H-H2O]+	233.2	32859911
AllCCS	[M+NH4]+	236.5	32859911
AllCCS	[M+Na]+	236.9	32859911
AllCCS	[M-H]-	228.4	32859911
AllCCS	[M+Na-2H]-	229.8	32859911
AllCCS	[M+HCOO]-	231.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Epifisetinidol-(4beta->8)-catechin	OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C(C1C(O)C(OC3=C1C=CC(O)=C3)C1=CC(O)=C(O)C=C1)=C(O)C=C2O	7039.1	Standard polar	33892256
Epifisetinidol-(4beta->8)-catechin	OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C(C1C(O)C(OC3=C1C=CC(O)=C3)C1=CC(O)=C(O)C=C1)=C(O)C=C2O	4963.4	Standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin	OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C(C1C(O)C(OC3=C1C=CC(O)=C3)C1=CC(O)=C(O)C=C1)=C(O)C=C2O	5871.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Epifisetinidol-(4beta->8)-catechin,1TMS,isomer #1	C[Si](C)(C)OC1CC2=C(O)C=C(O)C(C3C4=CC=C(O)C=C4OC(C4=CC=C(O)C(O)=C4)C3O)=C2OC1C1=CC=C(O)C(O)=C1	5523.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,1TMS,isomer #2	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)=CC=C1O	5586.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,1TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C=C1O	5600.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,1TMS,isomer #4	C[Si](C)(C)OC1C(C2=CC=C(O)C(O)=C2)OC2=CC(O)=CC=C2C1C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5534.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,1TMS,isomer #5	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5590.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,1TMS,isomer #6	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O)=CC=C1O	5602.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,1TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O)C=C1O	5614.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,1TMS,isomer #8	C[Si](C)(C)OC1=CC(O)=C2CC(O)C(C3=CC=C(O)C(O)=C3)OC2=C1C1C2=CC=C(O)C=C2OC(C2=CC=C(O)C(O)=C2)C1O	5578.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,1TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=C(C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	5570.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #1	C[Si](C)(C)OC1=CC(O)=C(C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	5464.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #10	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)=CC=C1O	5494.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #11	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5480.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C4)C2O)C=C1O	5529.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #13	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC=C1O	5506.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #14	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC=C1O	5458.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #15	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C=C1O[Si](C)(C)C	5488.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C=C1O	5517.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #17	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C=C1O	5516.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #18	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5508.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #19	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C=C1O	5543.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2CC(O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)OC2=C1C1C2=CC=C(O)C=C2OC(C2=CC=C(O)C(O)=C2)C1O	5466.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C=C1O	5526.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #21	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C=C1O	5483.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #22	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)C=C1O	5489.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #23	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC=C1O	5473.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #24	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5454.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=C2CC(O)C(C3=CC=C(O)C(O)=C3)OC2=C1C1C2=CC=C(O)C=C2OC(C2=CC=C(O)C(O)=C2)C1O[Si](C)(C)C	5466.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #26	C[Si](C)(C)OC1=CC(O)=C(C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	5456.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #27	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5506.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #28	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5482.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #29	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5473.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #3	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5471.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #30	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5479.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #31	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O)=CC=C1O	5506.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #32	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O)=CC=C1O	5507.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O)C=C1O[Si](C)(C)C	5502.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #34	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O)C=C1O	5526.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #35	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O)C=C1O	5528.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #36	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	5470.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)C=C1O	5504.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #5	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC=C1O	5487.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #6	C[Si](C)(C)OC1CC2=C(O)C=C(O)C(C3C4=CC=C(O)C=C4OC(C4=CC=C(O)C(O)=C4)C3O[Si](C)(C)C)=C2OC1C1=CC=C(O)C(O)=C1	5435.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C=C1O	5491.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #8	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)=CC=C1O	5482.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TMS,isomer #9	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)=CC=C1O	5494.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #1	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	5368.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #10	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC=C1O	5390.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=C2CC(O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)OC2=C1C1C2=CC=C(O)C=C2OC(C2=CC=C(O)C(O)=C2)C1O[Si](C)(C)C	5354.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C=C1O	5406.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #13	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)=CC=C1O	5390.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #14	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5396.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #15	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5373.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #16	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5346.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #17	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2	5396.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #18	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2	5379.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #19	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C=C1O	5423.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #2	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5378.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C4)C2O)C=C1O	5403.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #21	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O[Si](C)(C)C)C=C1O	5389.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #22	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)C=C1O[Si](C)(C)C	5431.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #23	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C=C1O	5395.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #24	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC=C1O	5371.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #25	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O[Si](C)(C)C)=CC=C1O	5370.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #26	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C=C1O	5385.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #27	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC=C1O	5367.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #28	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C=C1O[Si](C)(C)C	5430.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #29	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)=CC=C1O	5327.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)C=C1O	5412.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #30	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5338.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #31	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C4)C2O)C=C1O	5335.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #32	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC=C1O	5308.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #33	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC=C1O	5347.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #34	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C=C1O[Si](C)(C)C	5415.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #35	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5320.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #36	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C4)C2O)C=C1O	5334.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #37	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC=C1O	5307.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #38	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC=C1O	5344.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #39	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C=C1O[Si](C)(C)C	5409.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #4	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC=C1O	5393.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #40	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5311.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #41	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5292.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #42	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5326.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #43	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2	5398.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #44	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C4)C2O)C=C1O	5406.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #45	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C4)C2O[Si](C)(C)C)C=C1O	5352.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #46	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC=C1O	5377.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #47	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC=C1O	5324.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #48	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C4)C2O)=CC=C1O	5377.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #49	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5391.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #5	C[Si](C)(C)OC1=CC(O)=C(C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	5357.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #50	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C=C1O	5349.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #51	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5356.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #52	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C=C1O	5355.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #53	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C=C1O	5334.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #54	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C=C1O	5372.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #55	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5341.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #56	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C=C1O	5355.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #57	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C=C1O	5333.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #58	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C=C1O	5371.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #59	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5332.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C=C1O	5405.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #60	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5313.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #61	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5354.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #62	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)C=C1O	5408.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #63	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C=C1O	5381.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #64	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C=C1O	5361.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #65	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5352.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #66	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)C=C1O	5374.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #67	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)C=C1O	5376.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #68	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5408.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #69	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5333.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #7	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)=CC=C1O	5392.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #70	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC=C1O	5357.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #71	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC=C1O	5361.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #72	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5340.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #73	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5347.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #74	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	5341.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #75	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5402.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #76	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5338.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #77	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5355.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #78	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5319.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #79	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5339.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #8	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5374.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #80	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5345.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #81	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O)=CC=C1O	5334.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #82	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O)C=C1O[Si](C)(C)C	5417.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #83	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O)C=C1O[Si](C)(C)C	5424.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #84	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O)C=C1O	5352.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,3TMS,isomer #9	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)C=C1O	5412.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #1	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5216.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #10	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2	5214.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #100	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C=C1O	5142.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #101	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C=C1O	5122.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #102	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5127.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #103	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5105.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #104	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5156.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #105	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)C=C1O	5194.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #106	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C=C1O	5128.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #107	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C=C1O	5113.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #108	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5193.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #109	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5123.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #11	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2	5204.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #110	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5107.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #111	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C=C1O	5231.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #112	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5251.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #113	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5155.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #114	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5158.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #115	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)C=C1O	5155.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #116	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5262.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #117	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5259.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #118	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5141.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #119	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5146.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C=C1O	5191.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #120	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C)=CC=C1O	5140.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #121	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5172.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #122	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5225.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #123	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5237.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #124	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5132.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #125	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5110.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #126	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O)C=C1O[Si](C)(C)C	5225.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #13	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C4)C2O)C=C1O	5184.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O[Si](C)(C)C)C=C1O	5227.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #15	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)C=C1O[Si](C)(C)C	5297.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C=C1O	5169.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #17	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC=C1O	5150.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #18	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O[Si](C)(C)C)=CC=C1O	5208.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #19	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C=C1O	5221.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)C=C1O	5211.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #20	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC=C1O	5202.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #21	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C=C1O[Si](C)(C)C	5293.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #22	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5207.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #23	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5188.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #24	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5218.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #25	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2	5204.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #26	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2	5191.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #27	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C=C1O	5176.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #28	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C4)C2O)C=C1O	5171.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #29	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O[Si](C)(C)C)C=C1O	5237.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #3	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)=CC=C1O	5192.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #30	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O)C=C1O[Si](C)(C)C	5304.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #31	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C=C1O	5156.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #32	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC=C1O	5139.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #33	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O[Si](C)(C)C)=CC=C1O	5218.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #34	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C=C1O	5232.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #35	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC=C1O	5213.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #36	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C=C1O[Si](C)(C)C	5297.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #37	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5293.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #38	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5220.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #39	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2	5170.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #4	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C(C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C2=C1CC(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	5204.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #40	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2	5160.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #41	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5201.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #42	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2	5154.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #43	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2	5141.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #44	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2	5221.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #45	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2	5205.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #46	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2	5298.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #47	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)C=C1O	5277.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #48	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C=C1O	5210.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #49	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C4)C2O)C=C1O	5286.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C=C1O	5200.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #50	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C4)C2O[Si](C)(C)C)C=C1O	5197.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #51	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC=C1O	5258.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #52	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C4)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5299.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #53	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C=C1O	5192.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #54	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C4)C2O)=CC=C1O	5262.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #55	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC=C1O	5172.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #56	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5292.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #57	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5109.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #58	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C4)C2O)C=C1O	5098.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #59	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC=C1O	5065.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #6	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)=CC=C1O	5187.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #60	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC=C1O	5126.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #61	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C=C1O[Si](C)(C)C	5214.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #62	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5123.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #63	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5104.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #64	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5139.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #65	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2	5234.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #66	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C4)C2O)C=C1O	5211.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #67	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C4)C2O[Si](C)(C)C)C=C1O	5119.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #68	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC=C1O	5177.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #69	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC=C1O	5088.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #7	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5217.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #70	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O[Si](C)(C)C)C4=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C4)C2O)=CC=C1O	5186.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #71	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5242.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #72	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5107.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #73	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5083.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #74	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5134.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #75	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2	5221.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #76	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C4)C2O)C=C1O	5197.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #77	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C4)C2O[Si](C)(C)C)C=C1O	5111.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #78	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC=C1O	5166.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #79	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC=C1O	5083.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #8	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5198.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #80	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C)C=C(O)C4=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C4)C2O)=CC=C1O	5175.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #81	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5250.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #82	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5174.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #83	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5101.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #84	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2	5189.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #85	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2	5083.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #86	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2	5173.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #87	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C2	5247.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #88	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C4)C2O[Si](C)(C)C)C=C1O	5224.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #89	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)C=C1O[Si](C)(C)C	5271.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #9	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2	5214.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #90	C[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC=C1O	5200.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #91	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C4)C2O[Si](C)(C)C)=CC=C1O	5202.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #92	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5132.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #93	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C=C1O	5107.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #94	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C=C1O	5089.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #95	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C=C1O	5151.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #96	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5143.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #97	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5125.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #98	C[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C)C2C1=C(O)C=C(O[Si](C)(C)C)C2=C1OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(O)C2	5161.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,4TMS,isomer #99	C[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)C=C1O	5206.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1CC2=C(O)C=C(O)C(C3C4=CC=C(O)C=C4OC(C4=CC=C(O)C(O)=C4)C3O)=C2OC1C1=CC=C(O)C(O)=C1	5778.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)=CC=C1O	5841.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C=C1O	5844.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(C2=CC=C(O)C(O)=C2)OC2=CC(O)=CC=C2C1C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5792.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	5821.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O)=CC=C1O	5857.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O)C=C1O	5858.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(O)C(C3=CC=C(O)C(O)=C3)OC2=C1C1C2=CC=C(O)C=C2OC(C2=CC=C(O)C(O)=C2)C1O	5829.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	5818.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	6028.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)=CC=C1O	6065.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C2	6043.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C4)C2O)C=C1O	6080.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C2O)=CC=C1O	6058.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	6027.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C=C1O[Si](C)(C)C(C)(C)C	6051.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C=C1O	6074.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C=C1O	6079.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(O)C2	6061.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O)C=C1O	6089.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O)=C3)OC2=C1C1C2=CC=C(O)C=C2OC(C2=CC=C(O)C(O)=C2)C1O	6025.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C2O)C=C1O	6076.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C=C1O	6045.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C(C)(C)C)C=C1O	6047.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	6038.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C(C)(C)C)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	6006.4	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2CC(O)C(C3=CC=C(O)C(O)=C3)OC2=C1C1C2=CC=C(O)C=C2OC(C2=CC=C(O)C(O)=C2)C1O[Si](C)(C)C(C)(C)C	6017.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	6012.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	6061.3	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	6044.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O[Si](C)(C)C(C)(C)C)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	6033.1	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O[Si](C)(C)C(C)(C)C)C2	6027.2	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(O)C2C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C2=C1OC(C1=CC=C(O)C(O)=C1)C(O)C2	6037.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O)=CC=C1O	6071.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O)=CC=C1O	6067.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O)C=C1O[Si](C)(C)C(C)(C)C	6058.5	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O)C=C1O	6086.0	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O)C4)C2O)C=C1O	6081.9	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C(C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C2=C1CC(O)C(C1=CC=C(O)C(O)=C1)O2	6030.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C4)C2O)C=C1O	6069.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC=C3C(C3=C(O)C=C(O)C4=C3OC(C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C4)C2O)=CC=C1O	6062.6	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1CC2=C(O)C=C(O)C(C3C4=CC=C(O)C=C4OC(C4=CC=C(O)C(O)=C4)C3O[Si](C)(C)C(C)(C)C)=C2OC1C1=CC=C(O)C(O)=C1	5973.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=C(CC2O[Si](C)(C)C(C)(C)C)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)C=C1O	6060.8	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O[Si](C)(C)C(C)(C)C)C(O)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)=CC=C1O	6059.7	Semi standard non polar	33892256
Epifisetinidol-(4beta->8)-catechin,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=C(CC2O)C(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2C3=CC=C(O)C=C3OC(C3=CC=C(O)C(O)=C3)C2O)=CC=C1O	6060.1	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 - Epifisetinidol-(4beta->8)-catechin GC-MS (Non-derivatized) - 70eV, Positive	splash10-00e9-0511690000-e683b288ae7c1acca9b7	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (1 TMS) - 70eV, Positive	splash10-00di-9310213000-22d821ba897e43cb0cd6	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS ("Epifisetinidol-(4beta->8)-catechin,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epifisetinidol-(4beta->8)-catechin GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epifisetinidol-(4beta->8)-catechin 10V, Positive-QTOF	splash10-03di-0115490000-d31ef21658e5ac7b5d2e	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epifisetinidol-(4beta->8)-catechin 20V, Positive-QTOF	splash10-000l-0494620000-fcbb8d5f366e8c0e1686	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epifisetinidol-(4beta->8)-catechin 40V, Positive-QTOF	splash10-00b9-0491010000-d7b494c812f96ab8af6b	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epifisetinidol-(4beta->8)-catechin 10V, Negative-QTOF	splash10-03di-0110190000-87063fb873612c205177	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epifisetinidol-(4beta->8)-catechin 20V, Negative-QTOF	splash10-0f79-0950330000-6ef4e209767d6f7958f2	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epifisetinidol-(4beta->8)-catechin 40V, Negative-QTOF	splash10-0a4i-0941000000-9828708dd766d3d57060	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epifisetinidol-(4beta->8)-catechin 10V, Negative-QTOF	splash10-03di-0000090000-f37ba1c5470c3a6f6397	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epifisetinidol-(4beta->8)-catechin 20V, Negative-QTOF	splash10-0ik9-0000590000-7683b463f235667863d0	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epifisetinidol-(4beta->8)-catechin 40V, Negative-QTOF	splash10-00b9-0471940000-e260fc9e088e561a1f34	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epifisetinidol-(4beta->8)-catechin 10V, Positive-QTOF	splash10-03di-0000190000-fea0f92c7ca98e5c5b53	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epifisetinidol-(4beta->8)-catechin 20V, Positive-QTOF	splash10-03du-0200950000-7e933d138f331f080a92	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epifisetinidol-(4beta->8)-catechin 40V, Positive-QTOF	splash10-05gi-0901550000-8c369921a0750e7f7ba9	2021-09-22	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB008705

KNApSAcK ID

Not Available

Chemspider ID

35013429

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14332863

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Enzymes

Enzyme Details

1. Catechol O-methyltransferase

General function:: Involved in magnesium ion binding
Specific function:: Catalyzes the O-methylation, and thereby the inactivation, of catecholamine neurotransmitters and catechol hormones. Also shortens the biological half-lives of certain neuroactive drugs, like L-DOPA, alpha-methyl DOPA and isoproterenol.
Gene Name:: COMT
Uniprot ID:: P21964
Molecular weight:: 30036.77

Reactions

Epifisetinidol-(4beta->8)-catechin → 8-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	details
Epifisetinidol-(4beta->8)-catechin → 8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	details

Enzyme Details

2. Sulfotransferase family cytosolic 2B member 1

General function:: Involved in sulfotransferase activity
Specific function:: Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfate conjugation of many hormones, neurotransmitters, drugs and xenobiotic compounds. Sulfonation increases the water solubility of most compounds, and therefore their renal excretion, but it can also result in bioactivation to form active metabolites. Sulfates hydroxysteroids like DHEA. Isoform 1 preferentially sulfonates cholesterol, and isoform 2 avidly sulfonates pregnenolone but not cholesterol.
Gene Name:: SULT2B1
Uniprot ID:: O00204
Molecular weight:: 39598.595

Reactions

Epifisetinidol-(4beta->8)-catechin → [2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid	details

Enzyme Details

3. UDP-glucuronosyltransferase 1-1

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:: UGT1A1
Uniprot ID:: P22309
Molecular weight:: 59590.91

Reactions

Epifisetinidol-(4beta->8)-catechin → 6-{[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	details
Epifisetinidol-(4beta->8)-catechin → 6-(4-{4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	details
Epifisetinidol-(4beta->8)-catechin → 6-(5-{4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	details
Epifisetinidol-(4beta->8)-catechin → 6-{[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3-hydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	details
Epifisetinidol-(4beta->8)-catechin → 6-(5-{8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	details

Enzyme Details

4. Sulfotransferase 1A3

General function:: sulfotransferase activity
Specific function:: Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfate conjugation of phenolic monoamines (neurotransmitters such as dopamine, norepinephrine and serotonin) and phenolic and catechol drugs.
Gene Name:: SULT1A3
Uniprot ID:: P0DMM9
Molecular weight:: 34195.96

Reactions

Epifisetinidol-(4beta->8)-catechin → (5-{4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid	details
Epifisetinidol-(4beta->8)-catechin → (5-{8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid	details

Showing metabocard for Epifisetinidol-(4beta->8)-catechin (HMDB0032007)

MOL for HMDB0032007 (Epifisetinidol-(4beta->8)-catechin)

3D MOL for HMDB0032007 (Epifisetinidol-(4beta->8)-catechin)

3D SDF for HMDB0032007 (Epifisetinidol-(4beta->8)-catechin)

3D-SDF for HMDB0032007 (Epifisetinidol-(4beta->8)-catechin)

PDB for HMDB0032007 (Epifisetinidol-(4beta->8)-catechin)

3D PDB for HMDB0032007 (Epifisetinidol-(4beta->8)-catechin)

SMILES for HMDB0032007 (Epifisetinidol-(4beta->8)-catechin)

INCHI for HMDB0032007 (Epifisetinidol-(4beta->8)-catechin)

Structure for HMDB0032007 (Epifisetinidol-(4beta->8)-catechin)

3D Structure for HMDB0032007 (Epifisetinidol-(4beta->8)-catechin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

Enzymes

Reactions

Reactions

Reactions

Reactions