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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:10:36 UTC

Update Date

2022-03-07 02:55:56 UTC

HMDB ID

HMDB0038829

Secondary Accession Numbers

HMDB38829

Metabolite Identification

Common Name

Theasinensin C

Description

Theasinensin C belongs to the class of organic compounds known as complex tannins. These are tannins made of a catechin bound to a gallotannin or elagitannin. Theasinensin C is found, on average, in the highest concentration within a few different foods, such as teas (Camellia sinensis), red tea, and herbal tea and in a lower concentration in green tea and black tea. This could make theasinensin C a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Theasinensin C.

Structure

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

  Mrv0541 02011301172D          

 44 49  0  0  0  0            999 V2000
   -4.0661   -4.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7805   -5.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7805   -5.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0661   -6.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3516   -5.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3516   -5.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6371   -4.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6371   -6.3054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9227   -5.8929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9227   -5.0678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2082   -6.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4937   -5.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2082   -7.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4937   -7.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -7.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -6.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8950   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6095   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3239   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3239   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6095   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8950   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1805   -9.4875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4661   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1805  -10.3125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4661  -10.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7516  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7516   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0371   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0371  -10.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0661   -3.8303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4950   -6.3054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2082   -4.6554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9352   -5.8929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9352   -7.5429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0384   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0384   -9.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8950  -10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3918   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0371  -11.5501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6095   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4937   -8.3679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  7  6  1  0  0  0  0
  6  5  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  1  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  1  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 18 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  1  0  0  0
 21 22  2  0  0  0  0
 24 23  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 28  1  0  0  0  0
 29 28  2  0  0  0  0
 28 27  1  0  0  0  0
 27 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 29 32  1  0  0  0  0
  1 33  1  0  0  0  0
  3 34  1  0  0  0  0
 10 35  1  1  0  0  0
 16 36  1  0  0  0  0
 15 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 25 40  1  1  0  0  0
 32 41  1  0  0  0  0
 30 42  1  0  0  0  0
 18 43  1  0  0  0  0
 14 44  1  0  0  0  0
 23 22  1  1  0  0  0
 17 22  1  1  0  0  0
 11 12  1  1  0  0  0
M  END

HMDB0038829
     RDKit          3D
Theasinensin C
 70 75  0  0  0  0  0  0  0  0999 V2000
    6.8659   -2.3082    0.7602 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0370   -1.1931    0.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6362    0.0171    0.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9130    1.1700    0.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4795    2.3945   -0.2074 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5482    1.1189    0.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9540   -0.0639    0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7025   -1.2290    0.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5955   -0.0553    0.9682 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6477    0.8318    0.4118 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2282    0.2902   -0.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6952    0.8315   -2.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2956    0.3063   -3.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7680    0.8540   -4.4918 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4281   -0.7610   -3.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002   -1.3192   -4.5716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586   -1.3270   -2.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9511   -2.4253   -2.2385 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3556   -0.7864   -1.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0667   -1.3460    0.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276   -0.7879    0.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9224    0.3481    0.3287 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8373   -0.2718   -0.5576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1622    0.0686   -0.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1605   -0.7857   -1.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4658   -0.3617   -1.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4554   -1.2397   -1.5565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8715    0.8874   -0.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8624    1.7349   -0.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2185    3.0134    0.1712 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5596    1.3454   -0.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4506    2.2135    0.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7164    1.1564    1.2635 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7673    0.4826    1.8785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4791   -1.3417    2.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7890   -2.4314    2.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1460   -2.9784    3.8989 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2774   -2.9576    1.9874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0118   -4.0349    2.4764 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -2.4155    0.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7360   -2.9437    0.0429 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2639    2.1773    0.3547 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6146    3.0301   -0.5655 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7023    2.3205    0.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3098   -2.5365    1.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7006    0.0882    0.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4716    2.4325   -0.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1928   -2.1244    1.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8294    0.7537    1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3900    1.6579   -2.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4100    1.6446   -4.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3018   -0.9724   -5.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1902   -2.7554   -3.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3258    0.9872   -0.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8627   -1.7764   -1.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2588   -2.1729   -1.8653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9026    1.2104   -0.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1788    3.3191    0.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8060    2.5856   -0.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8516    2.9449    1.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1729    1.6869    2.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4641    1.1241    2.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3151   -0.9546    2.7104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8921   -2.6692    4.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7312   -4.4324    3.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2061   -3.7242    0.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9645    2.6700    1.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520    3.8864   -0.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0895    3.0290    1.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9459    2.8698   -0.7165 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  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 21 35  2  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 10 42  1  0
 42 43  1  0
 42 44  1  0
  8  2  1  0
 19 11  1  0
 40 20  2  0
 44  6  1  0
 33 22  1  0
 31 24  1  0
  1 45  1  0
  3 46  1  0
  5 47  1  0
  8 48  1  0
 10 49  1  1
 12 50  1  0
 14 51  1  0
 16 52  1  0
 18 53  1  0
 22 54  1  6
 25 55  1  0
 27 56  1  0
 28 57  1  0
 30 58  1  0
 32 59  1  0
 32 60  1  0
 33 61  1  1
 34 62  1  0
 35 63  1  0
 37 64  1  0
 39 65  1  0
 41 66  1  0
 42 67  1  1
 43 68  1  0
 44 69  1  0
 44 70  1  0
M  END

  Mrv0541 02011301172D          

 44 49  0  0  0  0            999 V2000
   -4.0661   -4.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7805   -5.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7805   -5.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0661   -6.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3516   -5.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3516   -5.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6371   -4.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6371   -6.3054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9227   -5.8929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9227   -5.0678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2082   -6.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4937   -5.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2082   -7.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4937   -7.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -7.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -6.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8950   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6095   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3239   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3239   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6095   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8950   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1805   -9.4875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4661   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1805  -10.3125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4661  -10.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7516  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7516   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0371   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0371  -10.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0661   -3.8303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4950   -6.3054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2082   -4.6554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9352   -5.8929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9352   -7.5429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0384   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0384   -9.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8950  -10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3918   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0371  -11.5501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6095   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4937   -8.3679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  7  6  1  0  0  0  0
  6  5  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  1  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  1  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 18 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  1  0  0  0
 21 22  2  0  0  0  0
 24 23  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 28  1  0  0  0  0
 29 28  2  0  0  0  0
 28 27  1  0  0  0  0
 27 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 29 32  1  0  0  0  0
  1 33  1  0  0  0  0
  3 34  1  0  0  0  0
 10 35  1  1  0  0  0
 16 36  1  0  0  0  0
 15 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 25 40  1  1  0  0  0
 32 41  1  0  0  0  0
 30 42  1  0  0  0  0
 18 43  1  0  0  0  0
 14 44  1  0  0  0  0
 23 22  1  1  0  0  0
 17 22  1  1  0  0  0
 11 12  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0038829

> <DATABASE_NAME>
hmdb

> <SMILES>
O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1C1=C(C=C(O)C(O)=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2

> <INCHI_IDENTIFIER>
InChI=1S/C30H26O14/c31-9-1-15(33)11-5-19(37)29(43-21(11)3-9)13-7-17(35)25(39)27(41)23(13)24-14(8-18(36)26(40)28(24)42)30-20(38)6-12-16(34)2-10(32)4-22(12)44-30/h1-4,7-8,19-20,29-42H,5-6H2/t19-,20-,29-,30-/m1/s1

> <INCHI_KEY>
JPBGHWKYWUEIOT-XYTTVBAYSA-N

> <FORMULA>
C30H26O14

> <MOLECULAR_WEIGHT>
610.519

> <EXACT_MASS>
610.13225554

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
58.39727910497508

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
12

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R)-2-(3,4,5-trihydroxy-2-{2,3,4-trihydroxy-6-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenyl}phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

> <ALOGPS_LOGP>
1.90

> <JCHEM_LOGP>
2.657062933333333

> <ALOGPS_LOGS>
-3.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.828603454648926

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.241187074413554

> <JCHEM_PKA_STRONGEST_BASIC>
-5.431809168360933

> <JCHEM_POLAR_SURFACE_AREA>
261.21999999999997

> <JCHEM_REFRACTIVITY>
151.0394000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.00e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R)-2-(3,4,5-trihydroxy-2-{2,3,4-trihydroxy-6-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenyl}phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0038829
     RDKit          3D
Theasinensin C
 70 75  0  0  0  0  0  0  0  0999 V2000
    6.8659   -2.3082    0.7602 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0370   -1.1931    0.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6362    0.0171    0.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9130    1.1700    0.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4795    2.3945   -0.2074 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5482    1.1189    0.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9540   -0.0639    0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7025   -1.2290    0.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5955   -0.0553    0.9682 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6477    0.8318    0.4118 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2282    0.2902   -0.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6952    0.8315   -2.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2956    0.3063   -3.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7680    0.8540   -4.4918 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4281   -0.7610   -3.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002   -1.3192   -4.5716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586   -1.3270   -2.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9511   -2.4253   -2.2385 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3556   -0.7864   -1.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0667   -1.3460    0.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276   -0.7879    0.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9224    0.3481    0.3287 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8373   -0.2718   -0.5576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1622    0.0686   -0.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1605   -0.7857   -1.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4658   -0.3617   -1.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4554   -1.2397   -1.5565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8715    0.8874   -0.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8624    1.7349   -0.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2185    3.0134    0.1712 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5596    1.3454   -0.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4506    2.2135    0.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7164    1.1564    1.2635 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7673    0.4826    1.8785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4791   -1.3417    2.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7890   -2.4314    2.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1460   -2.9784    3.8989 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2774   -2.9576    1.9874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0118   -4.0349    2.4764 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -2.4155    0.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7360   -2.9437    0.0429 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2639    2.1773    0.3547 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6146    3.0301   -0.5655 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7023    2.3205    0.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3098   -2.5365    1.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7006    0.0882    0.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4716    2.4325   -0.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1928   -2.1244    1.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8294    0.7537    1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3900    1.6579   -2.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4100    1.6446   -4.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3018   -0.9724   -5.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1902   -2.7554   -3.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3258    0.9872   -0.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8627   -1.7764   -1.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2588   -2.1729   -1.8653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9026    1.2104   -0.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1788    3.3191    0.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8060    2.5856   -0.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8516    2.9449    1.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1729    1.6869    2.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4641    1.1241    2.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3151   -0.9546    2.7104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8921   -2.6692    4.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7312   -4.4324    3.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2061   -3.7242    0.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9645    2.6700    1.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520    3.8864   -0.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0895    3.0290    1.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9459    2.8698   -0.7165 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  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 21 35  2  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 10 42  1  0
 42 43  1  0
 42 44  1  0
  8  2  1  0
 19 11  1  0
 40 20  2  0
 44  6  1  0
 33 22  1  0
 31 24  1  0
  1 45  1  0
  3 46  1  0
  5 47  1  0
  8 48  1  0
 10 49  1  1
 12 50  1  0
 14 51  1  0
 16 52  1  0
 18 53  1  0
 22 54  1  6
 25 55  1  0
 27 56  1  0
 28 57  1  0
 30 58  1  0
 32 59  1  0
 32 60  1  0
 33 61  1  1
 34 62  1  0
 35 63  1  0
 37 64  1  0
 39 65  1  0
 41 66  1  0
 42 67  1  1
 43 68  1  0
 44 69  1  0
 44 70  1  0
M  END

HEADER    PROTEIN                                 01-FEB-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-FEB-13         0                                  
HETATM    1  C   UNK     0      -7.590  -8.690   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -8.924  -9.460   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.924 -11.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -7.590 -11.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.256 -11.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -6.256  -9.460   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.923  -8.690   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -4.923 -11.770   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -3.589 -11.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.589  -9.460   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.255 -11.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.922 -11.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.255 -13.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.922 -14.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.412 -13.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.412 -11.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.404 -15.400   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -6.738 -14.630   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -8.071 -15.400   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -8.071 -16.940   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -6.738 -17.710   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -5.404 -16.940   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -4.070 -17.710   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -2.737 -16.940   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -4.070 -19.250   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -2.737 -20.020   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.403 -19.250   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.403 -17.710   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -0.069 -16.940   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -0.069 -20.020   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.264 -19.250   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.264 -17.710   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -7.590  -7.150   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0     -10.257 -11.770   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -2.255  -8.690   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       1.746 -11.000   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       1.746 -14.080   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -9.405 -14.630   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -9.405 -17.710   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -5.404 -20.020   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       2.598 -16.940   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      -0.069 -21.560   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      -6.738 -13.090   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0      -0.922 -15.620   0.000  0.00  0.00           O+0
CONECT    1    2    6   33                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   34                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    1    7    5                                                  
CONECT    7    6   10                                                       
CONECT    8    5    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9    7   35                                                  
CONECT   11    9   13   12                                                  
CONECT   12   16   11                                                       
CONECT   13   11   14   17                                                  
CONECT   14   13   15   44                                                  
CONECT   15   14   16   37                                                  
CONECT   16   15   12   36                                                  
CONECT   17   13   18   22                                                  
CONECT   18   17   19   43                                                  
CONECT   19   18   20   38                                                  
CONECT   20   19   21   39                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   17                                                  
CONECT   23   24   25   22                                                  
CONECT   24   23   28                                                       
CONECT   25   23   26   40                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   30                                                  
CONECT   28   24   29   27                                                  
CONECT   29   28   32                                                       
CONECT   30   27   31   42                                                  
CONECT   31   30   32                                                       
CONECT   32   31   29   41                                                  
CONECT   33    1                                                            
CONECT   34    3                                                            
CONECT   35   10                                                            
CONECT   36   16                                                            
CONECT   37   15                                                            
CONECT   38   19                                                            
CONECT   39   20                                                            
CONECT   40   25                                                            
CONECT   41   32                                                            
CONECT   42   30                                                            
CONECT   43   18                                                            
CONECT   44   14                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   98    0
END

COMPND    HMDB0038829
HETATM    1  O1  UNL     1       6.866  -2.308   0.760  1.00  0.00           O  
HETATM    2  C1  UNL     1       6.037  -1.193   0.650  1.00  0.00           C  
HETATM    3  C2  UNL     1       6.636   0.017   0.286  1.00  0.00           C  
HETATM    4  C3  UNL     1       5.913   1.170   0.151  1.00  0.00           C  
HETATM    5  O2  UNL     1       6.479   2.395  -0.207  1.00  0.00           O  
HETATM    6  C4  UNL     1       4.548   1.119   0.384  1.00  0.00           C  
HETATM    7  C5  UNL     1       3.954  -0.064   0.743  1.00  0.00           C  
HETATM    8  C6  UNL     1       4.702  -1.229   0.876  1.00  0.00           C  
HETATM    9  O3  UNL     1       2.596  -0.055   0.968  1.00  0.00           O  
HETATM   10  C7  UNL     1       1.648   0.832   0.412  1.00  0.00           C  
HETATM   11  C8  UNL     1       1.228   0.290  -0.904  1.00  0.00           C  
HETATM   12  C9  UNL     1       1.695   0.831  -2.066  1.00  0.00           C  
HETATM   13  C10 UNL     1       1.296   0.306  -3.312  1.00  0.00           C  
HETATM   14  O4  UNL     1       1.768   0.854  -4.492  1.00  0.00           O  
HETATM   15  C11 UNL     1       0.428  -0.761  -3.361  1.00  0.00           C  
HETATM   16  O5  UNL     1       0.000  -1.319  -4.572  1.00  0.00           O  
HETATM   17  C12 UNL     1      -0.059  -1.327  -2.187  1.00  0.00           C  
HETATM   18  O6  UNL     1      -0.951  -2.425  -2.239  1.00  0.00           O  
HETATM   19  C13 UNL     1       0.356  -0.786  -1.008  1.00  0.00           C  
HETATM   20  C14 UNL     1      -0.067  -1.346   0.259  1.00  0.00           C  
HETATM   21  C15 UNL     1      -1.128  -0.788   0.906  1.00  0.00           C  
HETATM   22  C16 UNL     1      -1.922   0.348   0.329  1.00  0.00           C  
HETATM   23  O7  UNL     1      -2.837  -0.272  -0.558  1.00  0.00           O  
HETATM   24  C17 UNL     1      -4.162   0.069  -0.615  1.00  0.00           C  
HETATM   25  C18 UNL     1      -5.160  -0.786  -1.069  1.00  0.00           C  
HETATM   26  C19 UNL     1      -6.466  -0.362  -1.098  1.00  0.00           C  
HETATM   27  O8  UNL     1      -7.455  -1.240  -1.556  1.00  0.00           O  
HETATM   28  C20 UNL     1      -6.871   0.887  -0.698  1.00  0.00           C  
HETATM   29  C21 UNL     1      -5.862   1.735  -0.245  1.00  0.00           C  
HETATM   30  O9  UNL     1      -6.219   3.013   0.171  1.00  0.00           O  
HETATM   31  C22 UNL     1      -4.560   1.345  -0.201  1.00  0.00           C  
HETATM   32  C23 UNL     1      -3.451   2.213   0.369  1.00  0.00           C  
HETATM   33  C24 UNL     1      -2.716   1.156   1.263  1.00  0.00           C  
HETATM   34  O10 UNL     1      -3.767   0.483   1.878  1.00  0.00           O  
HETATM   35  C25 UNL     1      -1.479  -1.342   2.124  1.00  0.00           C  
HETATM   36  C26 UNL     1      -0.789  -2.431   2.686  1.00  0.00           C  
HETATM   37  O11 UNL     1      -1.146  -2.978   3.899  1.00  0.00           O  
HETATM   38  C27 UNL     1       0.277  -2.958   1.987  1.00  0.00           C  
HETATM   39  O12 UNL     1       1.012  -4.035   2.476  1.00  0.00           O  
HETATM   40  C28 UNL     1       0.638  -2.415   0.776  1.00  0.00           C  
HETATM   41  O13 UNL     1       1.736  -2.944   0.043  1.00  0.00           O  
HETATM   42  C29 UNL     1       2.264   2.177   0.355  1.00  0.00           C  
HETATM   43  O14 UNL     1       1.615   3.030  -0.566  1.00  0.00           O  
HETATM   44  C30 UNL     1       3.702   2.320   0.234  1.00  0.00           C  
HETATM   45  H1  UNL     1       7.310  -2.537   1.633  1.00  0.00           H  
HETATM   46  H2  UNL     1       7.701   0.088   0.098  1.00  0.00           H  
HETATM   47  H3  UNL     1       7.472   2.433  -0.372  1.00  0.00           H  
HETATM   48  H4  UNL     1       4.193  -2.124   1.155  1.00  0.00           H  
HETATM   49  H5  UNL     1       0.829   0.754   1.174  1.00  0.00           H  
HETATM   50  H6  UNL     1       2.390   1.658  -2.123  1.00  0.00           H  
HETATM   51  H7  UNL     1       2.410   1.645  -4.511  1.00  0.00           H  
HETATM   52  H8  UNL     1       0.302  -0.972  -5.466  1.00  0.00           H  
HETATM   53  H9  UNL     1      -1.190  -2.755  -3.162  1.00  0.00           H  
HETATM   54  H10 UNL     1      -1.326   0.987  -0.341  1.00  0.00           H  
HETATM   55  H11 UNL     1      -4.863  -1.776  -1.390  1.00  0.00           H  
HETATM   56  H12 UNL     1      -7.259  -2.173  -1.865  1.00  0.00           H  
HETATM   57  H13 UNL     1      -7.903   1.210  -0.725  1.00  0.00           H  
HETATM   58  H14 UNL     1      -7.179   3.319   0.148  1.00  0.00           H  
HETATM   59  H15 UNL     1      -2.806   2.586  -0.418  1.00  0.00           H  
HETATM   60  H16 UNL     1      -3.852   2.945   1.083  1.00  0.00           H  
HETATM   61  H17 UNL     1      -2.173   1.687   2.063  1.00  0.00           H  
HETATM   62  H18 UNL     1      -4.464   1.124   2.163  1.00  0.00           H  
HETATM   63  H19 UNL     1      -2.315  -0.955   2.710  1.00  0.00           H  
HETATM   64  H20 UNL     1      -1.892  -2.669   4.472  1.00  0.00           H  
HETATM   65  H21 UNL     1       0.731  -4.432   3.374  1.00  0.00           H  
HETATM   66  H22 UNL     1       2.206  -3.724   0.486  1.00  0.00           H  
HETATM   67  H23 UNL     1       1.964   2.670   1.356  1.00  0.00           H  
HETATM   68  H24 UNL     1       1.352   3.886  -0.200  1.00  0.00           H  
HETATM   69  H25 UNL     1       4.089   3.029   1.036  1.00  0.00           H  
HETATM   70  H26 UNL     1       3.946   2.870  -0.717  1.00  0.00           H  
CONECT    1    2   45
CONECT    2    3    3    8
CONECT    3    4   46
CONECT    4    5    6    6
CONECT    5   47
CONECT    6    7   44
CONECT    7    8    8    9
CONECT    8   48
CONECT    9   10
CONECT   10   11   42   49
CONECT   11   12   12   19
CONECT   12   13   50
CONECT   13   14   15   15
CONECT   14   51
CONECT   15   16   17
CONECT   16   52
CONECT   17   18   19   19
CONECT   18   53
CONECT   19   20
CONECT   20   21   40   40
CONECT   21   22   35   35
CONECT   22   23   33   54
CONECT   23   24
CONECT   24   25   25   31
CONECT   25   26   55
CONECT   26   27   28   28
CONECT   27   56
CONECT   28   29   57
CONECT   29   30   31   31
CONECT   30   58
CONECT   31   32
CONECT   32   33   59   60
CONECT   33   34   61
CONECT   34   62
CONECT   35   36   63
CONECT   36   37   38   38
CONECT   37   64
CONECT   38   39   40
CONECT   39   65
CONECT   40   41
CONECT   41   66
CONECT   42   43   44   67
CONECT   43   68
CONECT   44   69   70
END

HMDB0038829
     RDKit          3D
Theasinensin C
 70 75  0  0  0  0  0  0  0  0999 V2000
    6.8659   -2.3082    0.7602 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0370   -1.1931    0.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6362    0.0171    0.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9130    1.1700    0.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4795    2.3945   -0.2074 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5482    1.1189    0.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9540   -0.0639    0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7025   -1.2290    0.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5955   -0.0553    0.9682 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6477    0.8318    0.4118 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2282    0.2902   -0.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6952    0.8315   -2.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2956    0.3063   -3.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7680    0.8540   -4.4918 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4281   -0.7610   -3.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002   -1.3192   -4.5716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586   -1.3270   -2.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9511   -2.4253   -2.2385 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3556   -0.7864   -1.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0667   -1.3460    0.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276   -0.7879    0.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9224    0.3481    0.3287 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8373   -0.2718   -0.5576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1622    0.0686   -0.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1605   -0.7857   -1.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4658   -0.3617   -1.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4554   -1.2397   -1.5565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8715    0.8874   -0.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8624    1.7349   -0.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2185    3.0134    0.1712 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5596    1.3454   -0.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4506    2.2135    0.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7164    1.1564    1.2635 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7673    0.4826    1.8785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4791   -1.3417    2.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7890   -2.4314    2.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1460   -2.9784    3.8989 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2774   -2.9576    1.9874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0118   -4.0349    2.4764 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -2.4155    0.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7360   -2.9437    0.0429 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2639    2.1773    0.3547 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6146    3.0301   -0.5655 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7023    2.3205    0.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3098   -2.5365    1.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7006    0.0882    0.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4716    2.4325   -0.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1928   -2.1244    1.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8294    0.7537    1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3900    1.6579   -2.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4100    1.6446   -4.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3018   -0.9724   -5.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1902   -2.7554   -3.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3258    0.9872   -0.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8627   -1.7764   -1.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2588   -2.1729   -1.8653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9026    1.2104   -0.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1788    3.3191    0.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8060    2.5856   -0.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8516    2.9449    1.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1729    1.6869    2.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4641    1.1241    2.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3151   -0.9546    2.7104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8921   -2.6692    4.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7312   -4.4324    3.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2061   -3.7242    0.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9645    2.6700    1.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520    3.8864   -0.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0895    3.0290    1.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9459    2.8698   -0.7165 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  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 21 35  2  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 10 42  1  0
 42 43  1  0
 42 44  1  0
  8  2  1  0
 19 11  1  0
 40 20  2  0
 44  6  1  0
 33 22  1  0
 31 24  1  0
  1 45  1  0
  3 46  1  0
  5 47  1  0
  8 48  1  0
 10 49  1  1
 12 50  1  0
 14 51  1  0
 16 52  1  0
 18 53  1  0
 22 54  1  6
 25 55  1  0
 27 56  1  0
 28 57  1  0
 30 58  1  0
 32 59  1  0
 32 60  1  0
 33 61  1  1
 34 62  1  0
 35 63  1  0
 37 64  1  0
 39 65  1  0
 41 66  1  0
 42 67  1  1
 43 68  1  0
 44 69  1  0
 44 70  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
6,6'-Bis(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-[1,1'-biphenyl]-2,2',3,3',4,4'-hexol, 9ci	HMDB
Theasinensin C	MeSH

Chemical Formula

C₃₀H₂₆O₁₄

Average Molecular Weight

610.519

Monoisotopic Molecular Weight

610.13225554

IUPAC Name

(2R,3R)-2-(3,4,5-trihydroxy-2-{2,3,4-trihydroxy-6-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenyl}phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

Traditional Name

(2R,3R)-2-(3,4,5-trihydroxy-2-{2,3,4-trihydroxy-6-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenyl}phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

CAS Registry Number

89013-69-4

SMILES

O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1C1=C(C=C(O)C(O)=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2

InChI Identifier

InChI=1S/C30H26O14/c31-9-1-15(33)11-5-19(37)29(43-21(11)3-9)13-7-17(35)25(39)27(41)23(13)24-14(8-18(36)26(40)28(24)42)30-20(38)6-12-16(34)2-10(32)4-22(12)44-30/h1-4,7-8,19-20,29-42H,5-6H2/t19-,20-,29-,30-/m1/s1

InChI Key

JPBGHWKYWUEIOT-XYTTVBAYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as complex tannins. These are tannins made of a catechin bound to a gallotannin or elagitannin.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Tannins

Sub Class

Complex tannins

Direct Parent

Complex tannins

Alternative Parents

Substituents

Complex tannin
Epigallocatechin
Catechin
3'-hydroxyflavonoid
Flavan-3-ol
Hydroxyflavonoid
7-hydroxyflavonoid
5-hydroxyflavonoid
4'-hydroxyflavonoid
3-hydroxyflavonoid
Flavan
Biphenol
Biphenyl
Benzopyran
1-benzopyran
Chromane
Benzenetriol
Pyrogallol derivative
Alkyl aryl ether
Phenol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Benzenoid
Secondary alcohol
Polyol
Organoheterocyclic compound
Oxacycle
Ether
Organooxygen compound
Alcohol
Organic oxygen compound
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Cytoplasm (HMDB: HMDB38829)
Extracellular (HMDB: HMDB38829)

Route of exposure

Enteral

Ingestion (HMDB: HMDB38829)

Source

Exogenous

Exogenous (HMDB: HMDB38829)

Food

Food (HMDB: HMDB38829)

Tea

Endogenous

Plant

Plant (HMDB: HMDB38829)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB38829)

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	0.2 g/L	ALOGPS
logP	1.9	ALOGPS
logP	2.66	ChemAxon
logS	-3.5	ALOGPS
pKa (Strongest Acidic)	8.24	ChemAxon
pKa (Strongest Basic)	-5.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	12	ChemAxon
Polar Surface Area	261.22 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	151.04 m³·mol⁻¹	ChemAxon
Polarizability	58.4 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]+	237.975	31661259
DarkChem	[M-H]-	221.237	31661259
DeepCCS	[M+H]+	224.944	30932474
DeepCCS	[M-H]-	223.048	30932474
DeepCCS	[M-2H]-	256.676	30932474
DeepCCS	[M+Na]+	230.557	30932474
AllCCS	[M+H]+	241.0	32859911
AllCCS	[M+H-H2O]+	239.5	32859911
AllCCS	[M+NH4]+	242.4	32859911
AllCCS	[M+Na]+	242.7	32859911
AllCCS	[M-H]-	239.6	32859911
AllCCS	[M+Na-2H]-	241.6	32859911
AllCCS	[M+HCOO]-	244.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Theasinensin C	O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1C1=C(C=C(O)C(O)=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2	8251.8	Standard polar	33892256
Theasinensin C	O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1C1=C(C=C(O)C(O)=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2	5000.9	Standard non polar	33892256
Theasinensin C	O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1C1=C(C=C(O)C(O)=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2	6259.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Theasinensin C,1TMS,isomer #1	C[Si](C)(C)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O	5969.3	Semi standard non polar	33892256
Theasinensin C,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5926.4	Semi standard non polar	33892256
Theasinensin C,1TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5921.4	Semi standard non polar	33892256
Theasinensin C,1TMS,isomer #4	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5927.6	Semi standard non polar	33892256
Theasinensin C,1TMS,isomer #5	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1O	5881.0	Semi standard non polar	33892256
Theasinensin C,1TMS,isomer #6	C[Si](C)(C)OC1=C(O)C(O)=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O	5901.3	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #1	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5884.5	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #10	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C1O	5791.0	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #11	C[Si](C)(C)OC1=C(O)C(O)=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O[Si](C)(C)C	5845.7	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #12	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5786.4	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #13	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5785.7	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5698.0	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5772.7	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #16	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5821.3	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]1O)O2	5825.2	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #18	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C(O)=C1O	5785.7	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O[Si](C)(C)C)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5697.9	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5877.6	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O[Si](C)(C)C)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5772.2	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5783.1	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5707.7	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #23	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5765.9	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #24	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)OC2=C1	5811.7	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5783.0	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #26	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5707.5	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #27	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5765.4	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #28	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O[Si](C)(C)C)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5743.0	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #29	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5676.3	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #3	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5857.5	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #30	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5739.9	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #31	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O[Si](C)(C)C)=C1O	5782.6	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #32	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O[Si](C)(C)C	5719.4	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #33	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1O	5650.5	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #34	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1O	5668.9	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #35	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1O[Si](C)(C)C	5745.9	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #36	C[Si](C)(C)OC1=C(O)C(O)=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1C1=C(O[Si](C)(C)C)C(O)=C(O)C=C1[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O	5727.1	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #4	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1O	5790.5	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #5	C[Si](C)(C)OC1=C(O)C(O)=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O	5844.2	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5882.6	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O[Si](C)(C)C)O2	5893.4	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #8	C[Si](C)(C)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O[Si](C)(C)C	5929.3	Semi standard non polar	33892256
Theasinensin C,2TMS,isomer #9	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O	5858.6	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5695.2	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O[Si](C)(C)C)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5666.9	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #100	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5568.4	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #101	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5524.2	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #102	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5561.6	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #103	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5524.1	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #104	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O[Si](C)(C)C)=C1O	5506.9	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #105	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O[Si](C)(C)C	5483.7	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #106	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O[Si](C)(C)C)=C1O	5547.1	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #107	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O[Si](C)(C)C	5508.8	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #108	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	5612.2	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #109	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(C2=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1O	5458.3	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5662.6	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #110	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1O[Si](C)(C)C	5511.1	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #12	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5588.6	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5664.2	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5717.2	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5713.0	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #16	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5783.8	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5662.8	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5590.2	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5666.0	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #2	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5663.1	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5669.6	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #21	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C(O)=C1O	5667.9	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #22	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O	5747.6	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #23	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O[Si](C)(C)C)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O	5612.3	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #24	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5551.6	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #25	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5613.7	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #26	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O[Si](C)(C)C)=C1O	5679.2	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #27	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O[Si](C)(C)C	5628.1	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #28	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5595.4	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #29	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O[Si](C)(C)C)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O[Si](C)(C)C)O2	5586.4	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5580.0	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #30	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C1O	5672.7	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #31	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O	5550.3	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #32	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C1O	5494.2	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #33	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1O	5536.7	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #34	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1O[Si](C)(C)C	5639.0	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #35	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5671.7	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #36	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O[Si](C)(C)C)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O[Si](C)(C)C)O2	5669.8	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #37	C[Si](C)(C)OC1=C(O)C(O)=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O[Si](C)(C)C	5749.8	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #38	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O	5612.7	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #39	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C1O	5537.3	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5666.1	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #40	C[Si](C)(C)OC1=C(O)C(O)=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1C1=C(O[Si](C)(C)C)C(O)=C(O)C=C1[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O[Si](C)(C)C	5618.2	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #41	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=C1	5699.8	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #42	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5670.9	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #43	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5596.8	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #44	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5674.7	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #45	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O	5669.3	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #46	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O[Si](C)(C)C)O2	5588.2	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #47	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O[Si](C)(C)C)O2	5672.5	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #48	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	5680.0	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #49	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	5628.7	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #5	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5713.9	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #50	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C1O[Si](C)(C)C	5641.0	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #51	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5588.4	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #52	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5529.5	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #53	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5581.4	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #54	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5634.4	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #55	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5631.3	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #56	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5587.0	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #57	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5529.7	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #58	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5580.8	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #59	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5610.3	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]1O[Si](C)(C)C)O2	5707.9	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #60	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C(O)=C1O	5605.4	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #61	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O[Si](C)(C)C)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C(O)=C1O	5567.8	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #62	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5520.5	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #63	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5548.9	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #64	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O[Si](C)(C)C)=C1O	5599.7	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #65	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5557.6	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #66	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5557.9	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #67	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5544.9	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #68	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O[Si](C)(C)C)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]1O)O2	5539.1	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #69	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C(O)=C1O	5520.6	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O[Si](C)(C)C)O2	5784.3	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #70	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1C1=C(O)C(O[Si](C)(C)C)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5472.9	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #71	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1C1=C(O[Si](C)(C)C)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5487.3	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #72	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5603.0	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #73	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O[Si](C)(C)C)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]1O)O2	5591.3	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #74	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C(O)=C1O	5548.9	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #75	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1C1=C(O)C(O[Si](C)(C)C)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5487.5	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #76	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1C1=C(O[Si](C)(C)C)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5531.5	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #77	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5609.9	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #78	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5544.9	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #79	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5602.9	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #8	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O	5663.4	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #80	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C(O[Si](C)(C)C)=C1O	5598.9	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #81	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5557.2	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #82	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5557.3	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #83	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5563.6	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #84	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5606.5	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #85	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)OC2=C1	5610.6	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #86	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5575.6	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #87	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5516.5	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #88	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5554.4	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #89	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5568.8	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O[Si](C)(C)C)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5580.8	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #90	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)OC2=C1	5538.2	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #91	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5516.2	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #92	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5465.9	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #93	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5483.3	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #94	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)OC2=C1	5599.7	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #95	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5554.4	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #96	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5483.6	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #97	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5542.1	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #98	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5563.1	Semi standard non polar	33892256
Theasinensin C,3TMS,isomer #99	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5605.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5523.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5537.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #100	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5469.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #101	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5450.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #102	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O[Si](C)(C)C)=C1O	5420.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #103	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O[Si](C)(C)C	5423.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #104	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O[Si](C)(C)C)=C1O	5463.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #105	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O[Si](C)(C)C	5448.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #106	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	5551.6	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #107	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=C1	5473.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #108	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5434.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #109	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5387.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #11	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C(O)=C1O	5519.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #110	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5415.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #111	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5503.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #112	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O	5430.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #113	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1C1=C(O)C(O[Si](C)(C)C)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O[Si](C)(C)C)O2	5382.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #114	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1C1=C(O)C(O[Si](C)(C)C)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O[Si](C)(C)C)O2	5406.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #115	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O[Si](C)(C)C)O2	5486.1	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #116	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C1O	5416.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #117	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C1O	5442.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #118	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C1O[Si](C)(C)C	5545.1	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #119	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O	5446.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #12	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O	5564.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #120	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	5420.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #121	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	5422.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #122	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(C2=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C1O	5391.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #123	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(C2=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1O	5392.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #124	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1O[Si](C)(C)C	5416.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #125	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=C1	5516.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #126	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5485.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #127	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5415.6	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #128	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5466.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #129	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O	5473.6	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #13	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O[Si](C)(C)C)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O	5483.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #130	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1C1=C(O[Si](C)(C)C)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O[Si](C)(C)C)O2	5407.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #131	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1C1=C(O[Si](C)(C)C)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O[Si](C)(C)C)O2	5452.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #132	C[Si](C)(C)OC1=C(O)C(O)=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C1C1=C(O[Si](C)(C)C)C(O)=C(O)C=C1[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O[Si](C)(C)C	5504.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #133	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	5463.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #134	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	5446.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #135	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C1O[Si](C)(C)C	5422.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #136	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=C1	5528.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #137	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=C1	5472.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #138	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=C1	5519.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #139	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5518.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #14	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5423.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #140	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5539.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #141	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5507.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #142	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	5523.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #143	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O[Si](C)(C)C)O2	5503.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #144	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O[Si](C)(C)C)O2	5490.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #145	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	5553.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #146	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5467.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #147	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5481.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #148	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5502.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #149	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5490.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #15	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5472.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #150	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5449.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #151	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5390.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #152	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5433.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #153	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5449.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #154	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5442.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #155	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5430.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #156	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5391.1	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #157	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5337.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #158	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5374.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #159	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5490.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #16	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O[Si](C)(C)C)=C1O	5518.1	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #160	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5477.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #161	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5433.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #162	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5374.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #163	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5411.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #164	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5514.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #165	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5501.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #166	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5442.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #167	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5490.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #168	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5488.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #169	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5430.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5497.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #170	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5475.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #171	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5468.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #172	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5481.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #173	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5449.1	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #174	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5459.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #175	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5404.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #176	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5443.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #177	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5481.6	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #178	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5497.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #179	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O[Si](C)(C)C)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C(O)=C1O	5449.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5481.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #180	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C(O)=C1O	5388.6	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #181	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C(O)=C1O	5431.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #182	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C(O[Si](C)(C)C)=C1O	5478.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #183	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1[C@H]1OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]1O)O2	5466.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #184	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C(O)=C1O	5427.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #185	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C(O)=C1O	5439.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #186	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5439.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #187	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=C(C2=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5427.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #188	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5407.1	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #189	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O[Si](C)(C)C)=C1O	5383.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5480.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #190	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C1=C(O)C(O[Si](C)(C)C)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5383.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #191	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O[Si](C)(C)C)=C1O	5418.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #192	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C1=C(O[Si](C)(C)C)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5405.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #193	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5486.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #194	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5464.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #195	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]1O)O2	5447.6	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #196	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C(O)=C1O	5406.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #197	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C1=C(O)C(O[Si](C)(C)C)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5356.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #198	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C1=C(O[Si](C)(C)C)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5373.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #199	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5404.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #2	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5467.1	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O[Si](C)(C)C)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]1O[Si](C)(C)C)O2	5464.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #200	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5350.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #201	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5386.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #202	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1C1=C(O)C(O[Si](C)(C)C)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]1O)O2	5334.1	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #203	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1C1=C(O[Si](C)(C)C)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]1O)O2	5365.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #204	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C(O[Si](C)(C)C)=C1O	5383.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #205	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1C1=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5383.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #206	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1C1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5356.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #207	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5443.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #208	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5386.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #209	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5422.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O[Si](C)(C)C)O2	5511.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #210	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1C1=C(O[Si](C)(C)C)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]1O)O2	5405.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #211	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C(O[Si](C)(C)C)=C1O	5417.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #212	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1C1=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5405.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #213	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1C1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5373.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #214	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5482.1	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #215	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5497.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #216	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5464.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #217	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5485.6	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #218	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5511.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #219	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)OC2=C1	5484.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #22	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O	5422.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #220	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5436.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #221	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5392.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #222	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5418.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #223	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)OC2=C1	5507.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #224	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5454.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #225	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5395.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #226	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5432.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #227	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)OC2=C1	5467.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #228	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)OC2=C1	5405.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #229	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)OC2=C1	5450.1	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #23	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1C1=C(O)C(O[Si](C)(C)C)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5376.6	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #230	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5436.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #231	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5454.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #232	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5422.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #233	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)OC2=C1	5472.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #234	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5422.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #235	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5369.1	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #236	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5388.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #237	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)OC2=C1	5346.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #238	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)OC2=C1	5387.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #239	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5392.6	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #24	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1C1=C(O[Si](C)(C)C)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5400.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #240	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5395.1	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #241	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5369.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #242	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O)OC2=C1	5429.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #243	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5418.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #244	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5432.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #245	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5388.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #246	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5510.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #247	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5467.6	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #248	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O[Si](C)(C)C)=C1O	5424.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #249	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O[Si](C)(C)C	5422.1	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5528.1	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #250	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O[Si](C)(C)C)=C1O	5434.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #251	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O[Si](C)(C)C)=C1O	5395.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #252	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O[Si](C)(C)C	5393.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #253	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	5411.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #254	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	5439.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #255	C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(C2=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1O[Si](C)(C)C	5354.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #26	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O[Si](C)(C)C)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]1O[Si](C)(C)C)O2	5506.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #27	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O[Si](C)(C)C)O2	5557.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #28	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O	5471.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #29	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1C1=C(O)C(O[Si](C)(C)C)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5401.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #3	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5512.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1C1=C(O[Si](C)(C)C)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5450.1	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #31	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=C1	5550.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #32	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5538.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #33	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5481.1	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #34	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5530.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #35	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5609.6	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #36	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]1O[Si](C)(C)C)O2	5590.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #37	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O	5520.1	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #38	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]1O[Si](C)(C)C)O2	5466.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #39	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]1O[Si](C)(C)C)O2	5509.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5569.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #40	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O	5563.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #41	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O[Si](C)(C)C)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O[Si](C)(C)C)O2	5511.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #42	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O[Si](C)(C)C)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O[Si](C)(C)C)O2	5556.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #43	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	5518.1	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #44	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5497.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #45	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	5484.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #46	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5514.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #47	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5533.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #48	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5553.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #49	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5537.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #5	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5552.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #50	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5582.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #51	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5498.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #52	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5431.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #53	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5484.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #54	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5498.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #55	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5487.1	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #56	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5480.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #57	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5521.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #58	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5430.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #59	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5383.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #6	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=C1	5604.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #60	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5409.6	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #61	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5543.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #62	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5528.6	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #63	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5576.1	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #64	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5482.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #65	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5411.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #66	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5461.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #67	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5568.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #68	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5553.6	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #69	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5488.5	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #7	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5523.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #70	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5544.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #71	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5626.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #72	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5538.6	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #73	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5481.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #74	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C[C@H]3O)OC2=C1	5530.7	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #75	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5581.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #76	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5521.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #77	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5574.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #78	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5514.1	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #79	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5533.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #8	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5469.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #80	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	5502.0	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #81	C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=C1	5526.9	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #82	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5501.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #83	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5435.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #84	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5487.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #85	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5518.2	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #86	C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)OC2=C1	5536.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #87	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O[Si](C)(C)C)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O	5486.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #88	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C(O)=C1O	5431.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #89	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C(O)=C1O	5475.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #9	C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C)=C1	5513.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #90	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@H]2O)C(O[Si](C)(C)C)=C1O	5521.6	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #91	C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O[Si](C)(C)C)O2	5502.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #92	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O)C(O)=C(O[Si](C)(C)C)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O	5527.1	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #93	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O)C(O[Si](C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O	5470.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #94	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O[Si](C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O	5512.4	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #95	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	5576.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #96	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	5559.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #97	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O	5469.8	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #98	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C(O)=C1O	5482.3	Semi standard non polar	33892256
Theasinensin C,4TMS,isomer #99	C[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C(C2=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	5483.3	Semi standard non polar	33892256
Theasinensin C,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O	6142.6	Semi standard non polar	33892256
Theasinensin C,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	6106.8	Semi standard non polar	33892256
Theasinensin C,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	6109.5	Semi standard non polar	33892256
Theasinensin C,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	6119.9	Semi standard non polar	33892256
Theasinensin C,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1O	6108.5	Semi standard non polar	33892256
Theasinensin C,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O	6117.6	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	6279.1	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)=C1O	6226.2	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O[Si](C)(C)C(C)(C)C	6269.1	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)O2)C(O[Si](C)(C)C(C)(C)C)=C1	6183.4	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	6184.2	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	6142.8	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	6190.2	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C[C@H]3O)OC2=C1	6204.8	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]1O)O2	6190.4	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@H]2O)C(O)=C1O	6184.3	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O[Si](C)(C)C(C)(C)C)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	6142.4	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	6275.6	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O[Si](C)(C)C(C)(C)C)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)O2	6190.2	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	6194.8	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	6159.2	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	6203.3	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C[C@H]3O)OC2=C1	6205.6	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O[Si](C)(C)C(C)(C)C)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	6194.8	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	6159.2	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)OC2=C1	6203.2	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O[Si](C)(C)C(C)(C)C)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	6205.0	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O[Si](C)(C)C(C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	6173.9	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	6266.3	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O[Si](C)(C)C(C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O	6210.2	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1O	6232.2	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(O)=C1O[Si](C)(C)C(C)(C)C	6187.7	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(C2=C(O)C(O[Si](C)(C)C(C)(C)C)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1O	6155.2	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(C2=C(O[Si](C)(C)C(C)(C)C)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1O	6173.5	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1O[Si](C)(C)C(C)(C)C	6210.5	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1C1=C(O[Si](C)(C)C(C)(C)C)C(O)=C(O)C=C1[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O	6217.9	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C1O	6227.1	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O	6267.1	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3[C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C(C)(C)C)OC2=C1	6282.8	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O[Si](C)(C)C(C)(C)C)O2	6283.2	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O)=C(O)C=C1[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O[Si](C)(C)C(C)(C)C	6339.7	Semi standard non polar	33892256
Theasinensin C,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1O	6267.1	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 - Theasinensin C GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-0500970000-28f75d56ba73585b65b5	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (1 TMS) - 70eV, Positive	splash10-0100-9000244000-87b09c89c507d96eb93f	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_2_17) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Theasinensin C GC-MS (TMS_2_18) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Theasinensin C 10V, Positive-QTOF	splash10-03di-0600139000-8984e235da3c84cf3ed1	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Theasinensin C 20V, Positive-QTOF	splash10-000i-0900111000-fa44d5f887f48cdbaf37	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Theasinensin C 40V, Positive-QTOF	splash10-00dr-0900120000-db2b70a47fb7abe17a7b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Theasinensin C 10V, Negative-QTOF	splash10-0a4i-0100019000-fe7ed182540e1c44d056	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Theasinensin C 20V, Negative-QTOF	splash10-0a4r-0903634000-e5760e0d261a45ad9a5e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Theasinensin C 40V, Negative-QTOF	splash10-004i-1900010000-632d12669bfb88a9bf01	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Theasinensin C 10V, Positive-QTOF	splash10-03di-0000019000-71e5234b3d0bb0a9908f	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Theasinensin C 20V, Positive-QTOF	splash10-03dl-0100958000-9b9410dd4a079335e9c7	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Theasinensin C 40V, Positive-QTOF	splash10-0006-0230930000-0a1363287afd5831fc75	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Theasinensin C 10V, Negative-QTOF	splash10-0a4i-0000009000-d8905efb2e958f3584ce	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Theasinensin C 20V, Negative-QTOF	splash10-052f-0100094000-f4d93a5ac6994d337886	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Theasinensin C 40V, Negative-QTOF	splash10-059b-0741390000-afc80abb3f7bae95cc7e	2021-09-25	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

FDB018260

KNApSAcK ID

C00008917

Chemspider ID

410678

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Theasinensin C

METLIN ID

Not Available

PubChem Compound

467317

PDB ID

Not Available

ChEBI ID

136611

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Theasinensin C (HMDB0038829)

MOL for HMDB0038829 (Theasinensin C)

3D MOL for HMDB0038829 (Theasinensin C)

3D SDF for HMDB0038829 (Theasinensin C)

3D-SDF for HMDB0038829 (Theasinensin C)

PDB for HMDB0038829 (Theasinensin C)

3D PDB for HMDB0038829 (Theasinensin C)

SMILES for HMDB0038829 (Theasinensin C)

INCHI for HMDB0038829 (Theasinensin C)

Structure for HMDB0038829 (Theasinensin C)

3D Structure for HMDB0038829 (Theasinensin C)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra