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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2006-05-22 15:12:44 UTC

Update Date

2022-03-07 02:49:18 UTC

HMDB ID

HMDB0003249

Secondary Accession Numbers

HMDB03249

Metabolite Identification

Common Name

Rutin

Description

Rutin is a flavonoid known to have a variety of biological activities including antiallergic, anti-inflammatory, antiproliferative, and anticarcinogenic properties. A large number of flavonoids, mostly O-glycosides, are polyphenolic compounds of natural origin that are present in most fruits and vegetables. The average intake of the compounds by humans on a normal diet is more than 1 g per day. Although flavonoids are devoid of classical nutritional value, they are increasingly viewed as beneficial dietary components that act as potential protectors against human diseases such as coronary heart disease, cancers, and inflammatory bowel disease. Rutin acts as a quercetin deliverer to the large intestine; moreover, quercetin is extensively metabolized in the large intestine, which suggests that quercetin liberated from rutin and/or its colonic metabolites may play a role. Rutin's anti-inflammatory actions are mediated through a molecular mechanism that underlies the quercetin-mediated therapeutic effects: quercetin-mediated inhibition of tumor necrosis factor-alpha (TNF-alpha)-induced nuclear factor kappa B (NFkB) activation. TNF-alpha-induced NFkB activity plays a central role in the production of pro-inflammatory mediators involved in progression of gut inflammation. (PMID:16132362 ).

Structure

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

  Mrv1652309272007282D          

 43 47  0  0  0  0            999 V2000
   -4.0938    2.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8082    1.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3793    2.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3793    1.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6647    2.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6647    1.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6647    0.1937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9504    2.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2359    2.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5214    3.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2359    3.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5214    2.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1929    3.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9075    3.9063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1929    2.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9075    2.2563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9504    1.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8082    2.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5227    2.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0938    1.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0938    0.1937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2359    1.0187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2359    0.1937    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9503   -0.2188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5214   -0.2188    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1931    0.1937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2359   -1.4563    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2359   -2.2813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5214   -1.0438    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1931   -1.4563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9503   -1.0438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6647   -1.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6647   -2.2813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0938   -2.2813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5227   -2.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0938   -3.9313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0938   -4.7563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3793   -3.5188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6647   -3.9313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8082   -3.5188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5227   -3.9313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  1  3  1  0  0  0  0
 18  2  1  0  0  0  0
  2 20  2  0  0  0  0
 20  4  1  0  0  0  0
  5  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6 17  1  0  0  0  0
 17  8  2  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
 11  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 22  1  0  0  0  0
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 20 21  1  0  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
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 24 31  1  0  0  0  0
 31 27  1  0  0  0  0
 27 29  1  0  0  0  0
 29 25  1  0  0  0  0
 25 26  1  6  0  0  0
 27 28  1  6  0  0  0
 29 30  1  1  0  0  0
 31 32  1  1  0  0  0
 32 33  1  0  0  0  0
 34 33  1  1  0  0  0
 40 34  1  0  0  0  0
 35 34  1  0  0  0  0
 35 36  1  0  0  0  0
 36 42  1  0  0  0  0
 42 38  1  0  0  0  0
 38 40  1  0  0  0  0
 36 37  1  6  0  0  0
 38 39  1  6  0  0  0
 40 41  1  6  0  0  0
 42 43  1  1  0  0  0
M  END

HMDB0003249
     RDKit          3D
Rutin
 73 77  0  0  0  0  0  0  0  0999 V2000
    5.3025   -1.2290   -1.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0444   -0.7008   -0.2014 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2802   -0.4694    0.9034 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3008    0.5312    0.7074 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5004    0.6125    1.7689 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    0.5340    1.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4466   -0.7396    1.5559 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0884   -0.5313    1.6947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.5191    0.5895 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8025    0.3619    0.9707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240   -0.0853    0.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4904    1.3295   -1.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1399    3.0224   -2.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9221    3.0573   -3.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8829   -1.4372    0.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4177   -2.3494    1.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7099   -2.7852    1.0153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7216   -2.8387    2.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4027   -2.3982    2.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7447   -2.9093    3.5758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8656   -1.4815    1.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5910   -1.0182    1.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8263   -1.3594    2.6812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0105   -0.1399   -0.6501 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8135   -0.3562   -1.8041 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1463   -1.1268   -0.8890 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9565   -0.6546   -1.8940 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8179   -1.5215    0.3733 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5196   -2.9036    0.6768 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1527    1.8314    0.6346 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3543    2.9471    0.5486 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0805    1.7722   -0.5307 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4194    1.8860   -1.7456 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8863    0.4856   -0.5630 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9375    0.5767    0.3310 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1183   -1.5855   -2.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6885   -0.4649   -1.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8110    0.4405   -0.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6099    1.6637   -4.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1653    0.7117   -2.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4547   -1.0573   -0.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4566   -2.2538    1.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1719   -3.5464    2.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8494   -2.7427    3.8951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3597    0.8808   -0.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4113   -1.1370   -1.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6392   -2.0608   -1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3006   -1.4299   -2.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9031   -1.5537    0.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7658   -3.0994    1.6056 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7400    1.8899    1.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9133    3.1669    1.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8150    2.5963   -0.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2594    2.8339   -1.9870 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5693    0.3856    1.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
  3  4  1  0
  4  5  1  0
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  9 32  1  0
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  4 38  1  0
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 42  2  1  0
 36  7  1  0
 30 11  1  0
 20 13  1  0
 29 22  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  2 47  1  1
  4 48  1  6
  6 49  1  0
  6 50  1  0
  7 51  1  1
  9 52  1  6
 14 53  1  0
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 25 59  1  0
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 28 61  1  0
 32 62  1  1
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 37 67  1  0
 38 68  1  1
 39 69  1  0
 40 70  1  1
 41 71  1  0
 42 72  1  6
 43 73  1  0
M  END

  Mrv1652309272007282D          

 43 47  0  0  0  0            999 V2000
   -4.0938    2.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8082    1.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3793    2.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3793    1.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6647    2.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6647    1.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6647    0.1937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9504    2.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2359    2.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5214    3.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2359    3.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5214    2.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1929    3.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9075    3.9063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1929    2.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9075    2.2563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8082    2.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0938    1.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0938    0.1937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2359    1.0187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9503   -0.2188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1931    0.1937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2359   -2.2813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5214   -1.0438    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1931   -1.4563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9503   -1.0438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6647   -1.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6647   -2.2813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3793   -2.6938    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0938   -2.2813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8082   -2.6938    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5227   -2.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0938   -3.9313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0938   -4.7563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3793   -3.5188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6647   -3.9313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8082   -3.5188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5227   -3.9313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  1  3  1  0  0  0  0
 18  2  1  0  0  0  0
  2 20  2  0  0  0  0
 20  4  1  0  0  0  0
  5  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6 17  1  0  0  0  0
 17  8  2  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
 11  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 31  1  0  0  0  0
 31 27  1  0  0  0  0
 27 29  1  0  0  0  0
 29 25  1  0  0  0  0
 25 26  1  6  0  0  0
 27 28  1  6  0  0  0
 29 30  1  1  0  0  0
 31 32  1  1  0  0  0
 32 33  1  0  0  0  0
 34 33  1  1  0  0  0
 40 34  1  0  0  0  0
 35 34  1  0  0  0  0
 35 36  1  0  0  0  0
 36 42  1  0  0  0  0
 42 38  1  0  0  0  0
 38 40  1  0  0  0  0
 36 37  1  6  0  0  0
 38 39  1  6  0  0  0
 40 41  1  6  0  0  0
 42 43  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0003249

> <DATABASE_NAME>
hmdb

> <SMILES>
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1

> <INCHI_KEY>
IKGXIBQEEMLURG-NVPNHPEKSA-N

> <FORMULA>
C27H30O16

> <MOLECULAR_WEIGHT>
610.5175

> <EXACT_MASS>
610.153384912

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
57.078103361322206

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one

> <ALOGPS_LOGP>
0.15

> <JCHEM_LOGP>
-0.8687609749999999

> <ALOGPS_LOGS>
-2.24

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.872507279445984

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.372405087704667

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6764969324490426

> <JCHEM_POLAR_SURFACE_AREA>
265.52

> <JCHEM_REFRACTIVITY>
140.14509999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.54e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
troxerutin

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0003249
     RDKit          3D
Rutin
 73 77  0  0  0  0  0  0  0  0999 V2000
    5.3025   -1.2290   -1.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0444   -0.7008   -0.2014 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2802   -0.4694    0.9034 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3008    0.5312    0.7074 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5004    0.6125    1.7689 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    0.5340    1.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4466   -0.7396    1.5559 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0884   -0.5313    1.6947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.5191    0.5895 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8025    0.3619    0.9707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240   -0.0853    0.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8731    0.3618   -0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4904    1.3295   -1.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4245    2.1592   -1.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1399    3.0224   -2.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9221    3.0573   -3.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5886    3.9525   -4.3711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0095    2.2262   -3.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7895    2.2719   -4.5704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2876    1.3754   -2.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1122   -0.1452   -0.2983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5883   -1.0046    0.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8829   -1.4372    0.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4177   -2.3494    1.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7099   -2.7852    1.0153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7216   -2.8387    2.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4027   -2.3982    2.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7447   -2.9093    3.5758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8656   -1.4815    1.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5910   -1.0182    1.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8263   -1.3594    2.6812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0105   -0.1399   -0.6501 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8135   -0.3562   -1.8041 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1463   -1.1268   -0.8890 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9565   -0.6546   -1.8940 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8179   -1.5215    0.3733 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5196   -2.9036    0.6768 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1527    1.8314    0.6346 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3543    2.9471    0.5486 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0805    1.7722   -0.5307 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4194    1.8860   -1.7456 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8863    0.4856   -0.5630 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9375    0.5767    0.3310 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1183   -1.5855   -2.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6885   -0.4649   -1.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7742   -2.1417   -1.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7630   -1.5254    0.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8110    0.4405   -0.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8666    0.8962    2.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7045    1.3817    1.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7002   -1.4034    2.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1638   -1.5456    0.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7956    2.1528   -0.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2642    3.6564   -2.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1873    3.9584   -5.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6099    1.6637   -4.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1653    0.7117   -2.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4547   -1.0573   -0.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4566   -2.2538    1.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1719   -3.5464    2.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8494   -2.7427    3.8951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3597    0.8808   -0.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4113   -1.1370   -1.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6392   -2.0608   -1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3006   -1.4299   -2.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9031   -1.5537    0.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7658   -3.0994    1.6056 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7400    1.8899    1.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9133    3.1669    1.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8150    2.5963   -0.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2594    2.8339   -1.9870 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2573    0.3419   -1.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5693    0.3856    1.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 12 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 30  1  0
 30 31  2  0
  9 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
  4 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 42  2  1  0
 36  7  1  0
 30 11  1  0
 20 13  1  0
 29 22  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  2 47  1  1
  4 48  1  6
  6 49  1  0
  6 50  1  0
  7 51  1  1
  9 52  1  6
 14 53  1  0
 15 54  1  0
 17 55  1  0
 19 56  1  0
 20 57  1  0
 23 58  1  0
 25 59  1  0
 26 60  1  0
 28 61  1  0
 32 62  1  1
 33 63  1  0
 34 64  1  6
 35 65  1  0
 36 66  1  6
 37 67  1  0
 38 68  1  1
 39 69  1  0
 40 70  1  1
 41 71  1  0
 42 72  1  6
 43 73  1  0
M  END

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0      -7.642   4.982   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -8.975   2.672   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.308   4.212   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.308   2.672   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -4.974   4.982   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -4.974   1.902   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -4.974   0.362   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -3.641   4.212   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.307   4.982   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.973   7.292   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.307   6.522   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.973   4.212   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.360   6.522   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       1.694   7.292   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       0.360   4.982   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.694   4.212   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -3.641   2.672   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -8.975   4.212   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0     -10.309   4.982   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -7.642   1.902   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -7.642   0.362   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -2.307   1.902   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -2.307   0.362   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -3.641  -0.408   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -0.973  -0.408   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       0.360   0.362   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -2.307  -2.718   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -2.307  -4.258   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -0.973  -1.948   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       0.360  -2.718   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -3.641  -1.948   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -4.974  -2.718   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -4.974  -4.258   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -6.308  -5.028   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -7.642  -4.258   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -8.975  -5.028   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0     -10.309  -4.258   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -7.642  -7.338   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -7.642  -8.878   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      -6.308  -6.568   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -4.974  -7.338   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -8.975  -6.568   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0     -10.309  -7.338   0.000  0.00  0.00           O+0
CONECT    1   18    3                                                       
CONECT    2   18   20                                                       
CONECT    3    1    5    4                                                  
CONECT    4   20    3    6                                                  
CONECT    5    3    8                                                       
CONECT    6    4   17    7                                                  
CONECT    7    6                                                            
CONECT    8    5   17    9                                                  
CONECT    9    8   11   12                                                  
CONECT   10   11   13                                                       
CONECT   11    9   10                                                       
CONECT   12    9   15                                                       
CONECT   13   10   15   14                                                  
CONECT   14   13                                                            
CONECT   15   12   13   16                                                  
CONECT   16   15                                                            
CONECT   17    6    8   22                                                  
CONECT   18    1    2   19                                                  
CONECT   19   18                                                            
CONECT   20    2    4   21                                                  
CONECT   21   20                                                            
CONECT   22   17   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23   31                                                       
CONECT   25   23   29   26                                                  
CONECT   26   25                                                            
CONECT   27   31   29   28                                                  
CONECT   28   27                                                            
CONECT   29   27   25   30                                                  
CONECT   30   29                                                            
CONECT   31   24   27   32                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   40   35                                                  
CONECT   35   34   36                                                       
CONECT   36   35   42   37                                                  
CONECT   37   36                                                            
CONECT   38   42   40   39                                                  
CONECT   39   38                                                            
CONECT   40   34   38   41                                                  
CONECT   41   40                                                            
CONECT   42   36   38   43                                                  
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   94    0
END

COMPND    HMDB0003249
HETATM    1  C1  UNL     1       5.302  -1.229  -1.408  1.00  0.00           C  
HETATM    2  C2  UNL     1       6.044  -0.701  -0.201  1.00  0.00           C  
HETATM    3  O1  UNL     1       5.280  -0.469   0.903  1.00  0.00           O  
HETATM    4  C3  UNL     1       4.301   0.531   0.707  1.00  0.00           C  
HETATM    5  O2  UNL     1       3.500   0.613   1.769  1.00  0.00           O  
HETATM    6  C4  UNL     1       2.186   0.534   1.818  1.00  0.00           C  
HETATM    7  C5  UNL     1       1.447  -0.740   1.556  1.00  0.00           C  
HETATM    8  O3  UNL     1       0.088  -0.531   1.695  1.00  0.00           O  
HETATM    9  C6  UNL     1      -0.700  -0.519   0.590  1.00  0.00           C  
HETATM   10  O4  UNL     1      -1.803   0.362   0.971  1.00  0.00           O  
HETATM   11  C7  UNL     1      -3.124  -0.085   0.814  1.00  0.00           C  
HETATM   12  C8  UNL     1      -3.873   0.362  -0.219  1.00  0.00           C  
HETATM   13  C9  UNL     1      -3.490   1.329  -1.242  1.00  0.00           C  
HETATM   14  C10 UNL     1      -2.425   2.159  -1.170  1.00  0.00           C  
HETATM   15  C11 UNL     1      -2.140   3.022  -2.217  1.00  0.00           C  
HETATM   16  C12 UNL     1      -2.922   3.057  -3.337  1.00  0.00           C  
HETATM   17  O5  UNL     1      -2.589   3.952  -4.371  1.00  0.00           O  
HETATM   18  C13 UNL     1      -4.010   2.226  -3.435  1.00  0.00           C  
HETATM   19  O6  UNL     1      -4.789   2.272  -4.570  1.00  0.00           O  
HETATM   20  C14 UNL     1      -4.288   1.375  -2.401  1.00  0.00           C  
HETATM   21  O7  UNL     1      -5.112  -0.145  -0.298  1.00  0.00           O  
HETATM   22  C15 UNL     1      -5.588  -1.005   0.548  1.00  0.00           C  
HETATM   23  C16 UNL     1      -6.883  -1.437   0.338  1.00  0.00           C  
HETATM   24  C17 UNL     1      -7.418  -2.349   1.220  1.00  0.00           C  
HETATM   25  O8  UNL     1      -8.710  -2.785   1.015  1.00  0.00           O  
HETATM   26  C18 UNL     1      -6.722  -2.839   2.287  1.00  0.00           C  
HETATM   27  C19 UNL     1      -5.403  -2.398   2.502  1.00  0.00           C  
HETATM   28  O9  UNL     1      -4.745  -2.909   3.576  1.00  0.00           O  
HETATM   29  C20 UNL     1      -4.866  -1.482   1.615  1.00  0.00           C  
HETATM   30  C21 UNL     1      -3.591  -1.018   1.769  1.00  0.00           C  
HETATM   31  O10 UNL     1      -2.826  -1.359   2.681  1.00  0.00           O  
HETATM   32  C22 UNL     1      -0.010  -0.140  -0.650  1.00  0.00           C  
HETATM   33  O11 UNL     1      -0.813  -0.356  -1.804  1.00  0.00           O  
HETATM   34  C23 UNL     1       1.146  -1.127  -0.889  1.00  0.00           C  
HETATM   35  O12 UNL     1       1.957  -0.655  -1.894  1.00  0.00           O  
HETATM   36  C24 UNL     1       1.818  -1.521   0.373  1.00  0.00           C  
HETATM   37  O13 UNL     1       1.520  -2.904   0.677  1.00  0.00           O  
HETATM   38  C25 UNL     1       5.153   1.831   0.635  1.00  0.00           C  
HETATM   39  O14 UNL     1       4.354   2.947   0.549  1.00  0.00           O  
HETATM   40  C26 UNL     1       6.080   1.772  -0.531  1.00  0.00           C  
HETATM   41  O15 UNL     1       5.419   1.886  -1.746  1.00  0.00           O  
HETATM   42  C27 UNL     1       6.886   0.486  -0.563  1.00  0.00           C  
HETATM   43  O16 UNL     1       7.937   0.577   0.331  1.00  0.00           O  
HETATM   44  H1  UNL     1       6.118  -1.585  -2.109  1.00  0.00           H  
HETATM   45  H2  UNL     1       4.689  -0.465  -1.919  1.00  0.00           H  
HETATM   46  H3  UNL     1       4.774  -2.142  -1.115  1.00  0.00           H  
HETATM   47  H4  UNL     1       6.763  -1.525   0.078  1.00  0.00           H  
HETATM   48  H5  UNL     1       3.811   0.440  -0.252  1.00  0.00           H  
HETATM   49  H6  UNL     1       1.867   0.896   2.871  1.00  0.00           H  
HETATM   50  H7  UNL     1       1.705   1.382   1.187  1.00  0.00           H  
HETATM   51  H8  UNL     1       1.700  -1.403   2.461  1.00  0.00           H  
HETATM   52  H9  UNL     1      -1.164  -1.546   0.401  1.00  0.00           H  
HETATM   53  H10 UNL     1      -1.796   2.153  -0.279  1.00  0.00           H  
HETATM   54  H11 UNL     1      -1.264   3.656  -2.079  1.00  0.00           H  
HETATM   55  H12 UNL     1      -3.187   3.958  -5.193  1.00  0.00           H  
HETATM   56  H13 UNL     1      -5.610   1.664  -4.679  1.00  0.00           H  
HETATM   57  H14 UNL     1      -5.165   0.712  -2.493  1.00  0.00           H  
HETATM   58  H15 UNL     1      -7.455  -1.057  -0.509  1.00  0.00           H  
HETATM   59  H16 UNL     1      -9.457  -2.254   1.461  1.00  0.00           H  
HETATM   60  H17 UNL     1      -7.172  -3.546   2.953  1.00  0.00           H  
HETATM   61  H18 UNL     1      -3.849  -2.743   3.895  1.00  0.00           H  
HETATM   62  H19 UNL     1       0.360   0.881  -0.716  1.00  0.00           H  
HETATM   63  H20 UNL     1      -1.411  -1.137  -1.661  1.00  0.00           H  
HETATM   64  H21 UNL     1       0.639  -2.061  -1.288  1.00  0.00           H  
HETATM   65  H22 UNL     1       2.301  -1.430  -2.406  1.00  0.00           H  
HETATM   66  H23 UNL     1       2.903  -1.554   0.227  1.00  0.00           H  
HETATM   67  H24 UNL     1       1.766  -3.099   1.606  1.00  0.00           H  
HETATM   68  H25 UNL     1       5.740   1.890   1.575  1.00  0.00           H  
HETATM   69  H26 UNL     1       3.913   3.167   1.411  1.00  0.00           H  
HETATM   70  H27 UNL     1       6.815   2.596  -0.468  1.00  0.00           H  
HETATM   71  H28 UNL     1       5.259   2.834  -1.987  1.00  0.00           H  
HETATM   72  H29 UNL     1       7.257   0.342  -1.596  1.00  0.00           H  
HETATM   73  H30 UNL     1       7.569   0.386   1.240  1.00  0.00           H  
CONECT    1    2   44   45   46
CONECT    2    3   42   47
CONECT    3    4
CONECT    4    5   38   48
CONECT    5    6
CONECT    6    7   49   50
CONECT    7    8   36   51
CONECT    8    9
CONECT    9   10   32   52
CONECT   10   11
CONECT   11   12   12   30
CONECT   12   13   21
CONECT   13   14   14   20
CONECT   14   15   53
CONECT   15   16   16   54
CONECT   16   17   18
CONECT   17   55
CONECT   18   19   20   20
CONECT   19   56
CONECT   20   57
CONECT   21   22
CONECT   22   23   23   29
CONECT   23   24   58
CONECT   24   25   26   26
CONECT   25   59
CONECT   26   27   60
CONECT   27   28   29   29
CONECT   28   61
CONECT   29   30
CONECT   30   31   31
CONECT   32   33   34   62
CONECT   33   63
CONECT   34   35   36   64
CONECT   35   65
CONECT   36   37   66
CONECT   37   67
CONECT   38   39   40   68
CONECT   39   69
CONECT   40   41   42   70
CONECT   41   71
CONECT   42   43   72
CONECT   43   73
END

HMDB0003249
     RDKit          3D
Rutin
 73 77  0  0  0  0  0  0  0  0999 V2000
    5.3025   -1.2290   -1.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0444   -0.7008   -0.2014 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2802   -0.4694    0.9034 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3008    0.5312    0.7074 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5004    0.6125    1.7689 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    0.5340    1.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4466   -0.7396    1.5559 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0884   -0.5313    1.6947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.5191    0.5895 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8025    0.3619    0.9707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240   -0.0853    0.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8731    0.3618   -0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4904    1.3295   -1.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4245    2.1592   -1.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1399    3.0224   -2.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9221    3.0573   -3.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5886    3.9525   -4.3711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0095    2.2262   -3.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7895    2.2719   -4.5704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2876    1.3754   -2.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1122   -0.1452   -0.2983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5883   -1.0046    0.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8829   -1.4372    0.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4177   -2.3494    1.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7099   -2.7852    1.0153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7216   -2.8387    2.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4027   -2.3982    2.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7447   -2.9093    3.5758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8656   -1.4815    1.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5910   -1.0182    1.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8263   -1.3594    2.6812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0105   -0.1399   -0.6501 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8135   -0.3562   -1.8041 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1463   -1.1268   -0.8890 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9565   -0.6546   -1.8940 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8179   -1.5215    0.3733 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5196   -2.9036    0.6768 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1527    1.8314    0.6346 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3543    2.9471    0.5486 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0805    1.7722   -0.5307 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4194    1.8860   -1.7456 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8863    0.4856   -0.5630 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9375    0.5767    0.3310 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1183   -1.5855   -2.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6885   -0.4649   -1.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7742   -2.1417   -1.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7630   -1.5254    0.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8110    0.4405   -0.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8666    0.8962    2.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7045    1.3817    1.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7002   -1.4034    2.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1638   -1.5456    0.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7956    2.1528   -0.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2642    3.6564   -2.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1873    3.9584   -5.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6099    1.6637   -4.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1653    0.7117   -2.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4547   -1.0573   -0.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4566   -2.2538    1.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1719   -3.5464    2.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8494   -2.7427    3.8951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3597    0.8808   -0.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4113   -1.1370   -1.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6392   -2.0608   -1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3006   -1.4299   -2.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9031   -1.5537    0.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7658   -3.0994    1.6056 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7400    1.8899    1.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9133    3.1669    1.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8150    2.5963   -0.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2594    2.8339   -1.9870 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2573    0.3419   -1.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5693    0.3856    1.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 12 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 30  1  0
 30 31  2  0
  9 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
  4 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 42  2  1  0
 36  7  1  0
 30 11  1  0
 20 13  1  0
 29 22  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  2 47  1  1
  4 48  1  6
  6 49  1  0
  6 50  1  0
  7 51  1  1
  9 52  1  6
 14 53  1  0
 15 54  1  0
 17 55  1  0
 19 56  1  0
 20 57  1  0
 23 58  1  0
 25 59  1  0
 26 60  1  0
 28 61  1  0
 32 62  1  1
 33 63  1  0
 34 64  1  6
 35 65  1  0
 36 66  1  6
 37 67  1  0
 38 68  1  1
 39 69  1  0
 40 70  1  1
 41 71  1  0
 42 72  1  6
 43 73  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	ChEBI
3-Rhamnoglucosylquercetin	ChEBI
3-Rutinosyl quercetin	ChEBI
Phytomelin	ChEBI
Quercetin 3-rutinoside	ChEBI
Quercetin-3-rutinoside	ChEBI
Rutoside	ChEBI
Venoruton	Kegg
3-[[6-O-(6-Deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	Generator
3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	Generator
3-Rhamnosyl-glucosyl quercetin	MeSH
Quercetin 3 rutinoside	MeSH
Quercetin, 3-rhamnosyl-glucosyl	MeSH
3,3',4',5,7-Pentahydroxyflavone-3-rutinoside	HMDB
3-Rhamnoglucoside OF 3,3',4',5,7-pentahydroxyflavone	HMDB
beta-Quercetin-3-rutinoside	HMDB
Bioflavonoid	HMDB
Birutan	HMDB
Birutan forte	HMDB
Birutin	HMDB
Eldrin	HMDB
Globulariacitrin	HMDB
Globularicitrin	HMDB
Ilixanthin	HMDB
Melin	HMDB
Myrticolorin	HMDB
Neoisorutin	HMDB
Osyritrin	HMDB
Oxyritin	HMDB
Paliuroside	HMDB
Quercetin 3-O-beta-D-rutinoside	HMDB
Quercetin 3-O-beta-delta-rutinoside	HMDB
Quercetin 3-O-rutinoside	HMDB
Quercetin 3-rhamnoglucoside	HMDB
Quercetin rhamnoglucosine	HMDB
Quercetin-3beta-rutinoside	HMDB
Quercetol 3-rhamnoglucoside	HMDB
Quercitin 3-rutinoside	HMDB
RUT	HMDB
Rutabion	HMDB
Rutin trihydrate	HMDB
Rutine	HMDB
Rutinic acid	HMDB
Rutinion acid	HMDB
Rutinum	HMDB
Rutosid	HMDB
Rutosido	HMDB
Rutosidum	HMDB
Rutozyd	HMDB
Sophorin	HMDB
Tanrutin	HMDB
Violaquercitrin	HMDB
Vitamin P	HMDB
Rutin	KEGG
3,3',4',5,7-Pentahydroxyflavone 3-O-rutinoside	PhytoBank
3,3’,4’,5,7-Pentahydroxyflavone 3-O-rutinoside	PhytoBank
3,3',4',5,7-Pentahydroxyflavone 3-rutinoside	PhytoBank
3,3’,4’,5,7-Pentahydroxyflavone 3-rutinoside	PhytoBank
3-O-Rutinosylquercetin	PhytoBank
3-Rutinosylquercetin	PhytoBank
5,7,3',4'-Tetrahydroxyflavonol-3-O-rutinoside	PhytoBank
5,7,3’,4’-Tetrahydroxyflavonol-3-O-rutinoside	PhytoBank
Ilixathin	PhytoBank
Myrticalorin	PhytoBank
Myticolorin	PhytoBank
Quercetin 3-(6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranoside)	PhytoBank
Quercetin 3-(6-O-α-L-rhamnopyranosyl-β-D-glucopyranoside)	PhytoBank
Quercetin 6-O-alpha-L-rhamnosyl-beta-D-glucoside	PhytoBank
Quercetin 6-O-α-L-rhamnosyl-β-D-glucoside	PhytoBank
Quercetin-3-O-[alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside]	PhytoBank
Quercetin-3-O-[α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside]	PhytoBank
Quercetin 3-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside	PhytoBank
Quercetin 3-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside	PhytoBank
Quercetin 3-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranoside	PhytoBank
Quercetin 3-O-α-L-rhamnopyranosyl-β-D-glucopyranoside	PhytoBank
Quercetin 3-O-alpha-rhamnopyranosyl(1''->6')-beta-D-glucopyranoside	PhytoBank
Quercetin 3-O-α-rhamnopyranosyl(1''→6')-β-D-glucopyranoside	PhytoBank
Quercetin 3-O-α-rhamnopyranosyl(1’’→6’)-β-D-glucopyranoside	PhytoBank
Quercetin 3-O-alpha-rhamnopyranosyl(1->6)-beta-glucopyranoside	PhytoBank
Quercetin 3-O-α-rhamnopyranosyl(1→6)-β-glucopyranoside	PhytoBank
Quercetin 3-O-alpha-rhamnopyranosyl-(1'''->6'')-beta-glucopyranoside	PhytoBank
Quercetin 3-O-α-rhamnopyranosyl-(1'''→6'')-β-glucopyranoside	PhytoBank
Quercetin 3-O-α-rhamnopyranosyl-(1’’’→6’’)-β-glucopyranoside	PhytoBank
Quercetin 3-O-beta-D-(6''-O-alpha-L-rhamnopyranosyl)glucopyranoside	PhytoBank
Quercetin 3-O-β-D-(6''-O-α-L-rhamnopyranosyl)glucopyranoside	PhytoBank
Quercetin 3-O-β-D-(6’’-O-α-L-rhamnopyranosyl)glucopyranoside	PhytoBank
Quercetin 3-O-β-D-rutinoside	PhytoBank
Quercetin 3-O-beta-rutinoside	PhytoBank
Quercetin 3-O-β-rutinoside	PhytoBank
Quercetin 3-beta-rutinoside	PhytoBank
Quercetin 3-β-rutinoside	PhytoBank
Quercetin-3-O-[alpha-L-rhamnopyranosyl-(1→6)-beta-D-glucopyranoside]	PhytoBank
Quercetin 3-O-alpha-L-rhamnopyranosyl-(1→6)-beta-D-glucopyranoside	PhytoBank
Quercetin 3-O-alpha-rhamnopyranosyl(1''→6')-beta-D-glucopyranoside	PhytoBank
Quercetin 3-O-alpha-rhamnopyranosyl(1→6)-beta-glucopyranoside	PhytoBank
Quercetin 3-O-alpha-rhamnopyranosyl-(1'''→6'')-beta-glucopyranoside	PhytoBank
Quercetin rutinoside	PhytoBank
Rutozid	PhytoBank
Violaquercetrin	PhytoBank

Chemical Formula

C₂₇H₃₀O₁₆

Average Molecular Weight

610.5175

Monoisotopic Molecular Weight

610.153384912

IUPAC Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one

Traditional Name

troxerutin

CAS Registry Number

153-18-4

SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1

InChI Key

IKGXIBQEEMLURG-NVPNHPEKSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-3-O-glycosides

Alternative Parents

Substituents

Flavonoid-3-o-glycoside
Hydroxyflavonoid
Flavone
3'-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
O-glycosyl compound
Glycosyl compound
Disaccharide
Chromone
1-benzopyran
Benzopyran
Catechol
1-hydroxy-2-unsubstituted benzenoid
Phenol
1-hydroxy-4-unsubstituted benzenoid
Pyranone
Monocyclic benzene moiety
Benzenoid
Pyran
Oxane
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Acetal
Polyol
Organic oxide
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

rutinoside (CHEBI:28527 )
disaccharide derivative (CHEBI:28527 )
tetrahydroxyflavone (CHEBI:28527 )
quercetin O-glucoside (CHEBI:28527 )
flavonols (C05625 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 10353226)

Cellular substructure

Cytoplasm (HMDB: HMDB0003249)

Source

Exogenous

Exogenous (HMDB: HMDB0003249)

Food

Fruit

Drupe

Apricot (FooDB: FOOD00144)
Sweet cherry (FooDB: FOOD00145)

Berry

Blackberry (FooDB: FOOD00906)

Vegetable

Shoot vegetable

Asparagus (FooDB: FOOD00021)

Fruit vegetable

Olive (FooDB: FOOD00121)
Cherry tomato (FooDB: FOOD00172)

Beverage

Other beverage

Fruit juice (FooDB: FOOD00763)

Milk and milk product

Unfermented milk

Milk (Cow) (FooDB: FOOD00618)

Tea

Black tea (FooDB: FOOD00907)
Green tea (FooDB: FOOD00908)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	125 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	0.12 mg/mL	Not Available
LogP	-2.020 (est)	The Good Scents Company Information System

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	Baker	235.492	30932474
[M-H]-	MetCCS_train_neg	231.043	30932474
[M+H]+	Baker	236.196	30932474
[M+H]+	MetCCS_train_pos	232.614	30932474
[M-H]-	Not Available	233.3	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000436
[M+H]+	Not Available	234.9	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000436

Predicted Molecular Properties

Property	Value	Source
Water Solubility	3.54 g/L	ALOGPS
logP	0.15	ALOGPS
logP	-0.87	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	6.37	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	265.52 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	140.15 m³·mol⁻¹	ChemAxon
Polarizability	57.08 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	230.899	30932474
DeepCCS	[M-H]-	228.787	30932474
DeepCCS	[M-2H]-	262.547	30932474
DeepCCS	[M+Na]+	236.918	30932474
AllCCS	[M+H]+	231.1	32859911
AllCCS	[M+H-H2O]+	229.9	32859911
AllCCS	[M+NH4]+	232.1	32859911
AllCCS	[M+Na]+	232.4	32859911
AllCCS	[M-H]-	227.8	32859911
AllCCS	[M+Na-2H]-	229.9	32859911
AllCCS	[M+HCOO]-	232.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Rutin	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	6600.6	Standard polar	33892256
Rutin	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4992.3	Standard non polar	33892256
Rutin	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5560.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Rutin,1TMS,isomer #1	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5261.9	Semi standard non polar	33892256
Rutin,1TMS,isomer #10	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5220.0	Semi standard non polar	33892256
Rutin,1TMS,isomer #2	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5249.9	Semi standard non polar	33892256
Rutin,1TMS,isomer #3	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5236.9	Semi standard non polar	33892256
Rutin,1TMS,isomer #4	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5256.2	Semi standard non polar	33892256
Rutin,1TMS,isomer #5	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5235.2	Semi standard non polar	33892256
Rutin,1TMS,isomer #6	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5219.4	Semi standard non polar	33892256
Rutin,1TMS,isomer #7	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	5227.4	Semi standard non polar	33892256
Rutin,1TMS,isomer #8	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5242.7	Semi standard non polar	33892256
Rutin,1TMS,isomer #9	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	5210.4	Semi standard non polar	33892256
Rutin,2TMS,isomer #1	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5126.2	Semi standard non polar	33892256
Rutin,2TMS,isomer #10	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5113.9	Semi standard non polar	33892256
Rutin,2TMS,isomer #11	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5100.1	Semi standard non polar	33892256
Rutin,2TMS,isomer #12	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5120.1	Semi standard non polar	33892256
Rutin,2TMS,isomer #13	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5104.6	Semi standard non polar	33892256
Rutin,2TMS,isomer #14	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	5124.6	Semi standard non polar	33892256
Rutin,2TMS,isomer #15	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5116.4	Semi standard non polar	33892256
Rutin,2TMS,isomer #16	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	5094.1	Semi standard non polar	33892256
Rutin,2TMS,isomer #17	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5108.7	Semi standard non polar	33892256
Rutin,2TMS,isomer #18	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5095.9	Semi standard non polar	33892256
Rutin,2TMS,isomer #19	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5091.3	Semi standard non polar	33892256
Rutin,2TMS,isomer #2	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5112.5	Semi standard non polar	33892256
Rutin,2TMS,isomer #20	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5071.0	Semi standard non polar	33892256
Rutin,2TMS,isomer #21	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	5094.8	Semi standard non polar	33892256
Rutin,2TMS,isomer #22	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5086.5	Semi standard non polar	33892256
Rutin,2TMS,isomer #23	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	5063.2	Semi standard non polar	33892256
Rutin,2TMS,isomer #24	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5081.7	Semi standard non polar	33892256
Rutin,2TMS,isomer #25	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5112.9	Semi standard non polar	33892256
Rutin,2TMS,isomer #26	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5094.8	Semi standard non polar	33892256
Rutin,2TMS,isomer #27	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	5119.7	Semi standard non polar	33892256
Rutin,2TMS,isomer #28	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5108.3	Semi standard non polar	33892256
Rutin,2TMS,isomer #29	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	5085.6	Semi standard non polar	33892256
Rutin,2TMS,isomer #3	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5131.7	Semi standard non polar	33892256
Rutin,2TMS,isomer #30	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5103.0	Semi standard non polar	33892256
Rutin,2TMS,isomer #31	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5103.4	Semi standard non polar	33892256
Rutin,2TMS,isomer #32	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	5112.5	Semi standard non polar	33892256
Rutin,2TMS,isomer #33	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5111.5	Semi standard non polar	33892256
Rutin,2TMS,isomer #34	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	5095.1	Semi standard non polar	33892256
Rutin,2TMS,isomer #35	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5101.9	Semi standard non polar	33892256
Rutin,2TMS,isomer #36	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	5111.2	Semi standard non polar	33892256
Rutin,2TMS,isomer #37	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5096.9	Semi standard non polar	33892256
Rutin,2TMS,isomer #38	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	5080.7	Semi standard non polar	33892256
Rutin,2TMS,isomer #39	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5092.0	Semi standard non polar	33892256
Rutin,2TMS,isomer #4	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5144.1	Semi standard non polar	33892256
Rutin,2TMS,isomer #40	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5112.1	Semi standard non polar	33892256
Rutin,2TMS,isomer #41	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	5096.1	Semi standard non polar	33892256
Rutin,2TMS,isomer #42	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5102.3	Semi standard non polar	33892256
Rutin,2TMS,isomer #43	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	5093.3	Semi standard non polar	33892256
Rutin,2TMS,isomer #44	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	5099.5	Semi standard non polar	33892256
Rutin,2TMS,isomer #45	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	5083.6	Semi standard non polar	33892256
Rutin,2TMS,isomer #5	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5127.6	Semi standard non polar	33892256
Rutin,2TMS,isomer #6	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	5147.6	Semi standard non polar	33892256
Rutin,2TMS,isomer #7	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5142.6	Semi standard non polar	33892256
Rutin,2TMS,isomer #8	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	5118.2	Semi standard non polar	33892256
Rutin,2TMS,isomer #9	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5129.2	Semi standard non polar	33892256
Rutin,3TMS,isomer #1	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5000.9	Semi standard non polar	33892256
Rutin,3TMS,isomer #10	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4966.5	Semi standard non polar	33892256
Rutin,3TMS,isomer #100	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4951.5	Semi standard non polar	33892256
Rutin,3TMS,isomer #101	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	5040.2	Semi standard non polar	33892256
Rutin,3TMS,isomer #102	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5010.4	Semi standard non polar	33892256
Rutin,3TMS,isomer #103	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4991.0	Semi standard non polar	33892256
Rutin,3TMS,isomer #104	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5005.4	Semi standard non polar	33892256
Rutin,3TMS,isomer #105	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5028.9	Semi standard non polar	33892256
Rutin,3TMS,isomer #106	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	5013.6	Semi standard non polar	33892256
Rutin,3TMS,isomer #107	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5026.6	Semi standard non polar	33892256
Rutin,3TMS,isomer #108	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	5007.9	Semi standard non polar	33892256
Rutin,3TMS,isomer #109	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	5017.1	Semi standard non polar	33892256
Rutin,3TMS,isomer #11	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4943.1	Semi standard non polar	33892256
Rutin,3TMS,isomer #110	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4997.0	Semi standard non polar	33892256
Rutin,3TMS,isomer #111	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5022.6	Semi standard non polar	33892256
Rutin,3TMS,isomer #112	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	5001.9	Semi standard non polar	33892256
Rutin,3TMS,isomer #113	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5017.3	Semi standard non polar	33892256
Rutin,3TMS,isomer #114	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4992.8	Semi standard non polar	33892256
Rutin,3TMS,isomer #115	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	5000.1	Semi standard non polar	33892256
Rutin,3TMS,isomer #116	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4980.7	Semi standard non polar	33892256
Rutin,3TMS,isomer #117	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	5017.3	Semi standard non polar	33892256
Rutin,3TMS,isomer #118	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	5024.0	Semi standard non polar	33892256
Rutin,3TMS,isomer #119	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	5003.4	Semi standard non polar	33892256
Rutin,3TMS,isomer #12	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4975.7	Semi standard non polar	33892256
Rutin,3TMS,isomer #120	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	5005.2	Semi standard non polar	33892256
Rutin,3TMS,isomer #13	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4965.2	Semi standard non polar	33892256
Rutin,3TMS,isomer #14	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4932.8	Semi standard non polar	33892256
Rutin,3TMS,isomer #15	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4962.8	Semi standard non polar	33892256
Rutin,3TMS,isomer #16	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5011.9	Semi standard non polar	33892256
Rutin,3TMS,isomer #17	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4993.1	Semi standard non polar	33892256
Rutin,3TMS,isomer #18	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	5020.9	Semi standard non polar	33892256
Rutin,3TMS,isomer #19	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5012.8	Semi standard non polar	33892256
Rutin,3TMS,isomer #2	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4977.6	Semi standard non polar	33892256
Rutin,3TMS,isomer #20	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4986.7	Semi standard non polar	33892256
Rutin,3TMS,isomer #21	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5014.7	Semi standard non polar	33892256
Rutin,3TMS,isomer #22	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5029.4	Semi standard non polar	33892256
Rutin,3TMS,isomer #23	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	5047.5	Semi standard non polar	33892256
Rutin,3TMS,isomer #24	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5039.4	Semi standard non polar	33892256
Rutin,3TMS,isomer #25	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	5017.2	Semi standard non polar	33892256
Rutin,3TMS,isomer #26	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5036.1	Semi standard non polar	33892256
Rutin,3TMS,isomer #27	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	5036.5	Semi standard non polar	33892256
Rutin,3TMS,isomer #28	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5019.0	Semi standard non polar	33892256
Rutin,3TMS,isomer #29	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4996.9	Semi standard non polar	33892256
Rutin,3TMS,isomer #3	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4982.8	Semi standard non polar	33892256
Rutin,3TMS,isomer #30	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5020.4	Semi standard non polar	33892256
Rutin,3TMS,isomer #31	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5045.8	Semi standard non polar	33892256
Rutin,3TMS,isomer #32	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	5023.4	Semi standard non polar	33892256
Rutin,3TMS,isomer #33	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5043.1	Semi standard non polar	33892256
Rutin,3TMS,isomer #34	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	5024.3	Semi standard non polar	33892256
Rutin,3TMS,isomer #35	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	5028.1	Semi standard non polar	33892256
Rutin,3TMS,isomer #36	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	5010.8	Semi standard non polar	33892256
Rutin,3TMS,isomer #37	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4973.0	Semi standard non polar	33892256
Rutin,3TMS,isomer #38	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4958.5	Semi standard non polar	33892256
Rutin,3TMS,isomer #39	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4940.3	Semi standard non polar	33892256
Rutin,3TMS,isomer #4	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4959.0	Semi standard non polar	33892256
Rutin,3TMS,isomer #40	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4970.3	Semi standard non polar	33892256
Rutin,3TMS,isomer #41	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4957.7	Semi standard non polar	33892256
Rutin,3TMS,isomer #42	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4931.8	Semi standard non polar	33892256
Rutin,3TMS,isomer #43	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4961.2	Semi standard non polar	33892256
Rutin,3TMS,isomer #44	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4942.8	Semi standard non polar	33892256
Rutin,3TMS,isomer #45	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4922.3	Semi standard non polar	33892256
Rutin,3TMS,isomer #46	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4953.2	Semi standard non polar	33892256
Rutin,3TMS,isomer #47	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4943.4	Semi standard non polar	33892256
Rutin,3TMS,isomer #48	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4914.9	Semi standard non polar	33892256
Rutin,3TMS,isomer #49	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4943.4	Semi standard non polar	33892256
Rutin,3TMS,isomer #5	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4991.6	Semi standard non polar	33892256
Rutin,3TMS,isomer #50	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4996.6	Semi standard non polar	33892256
Rutin,3TMS,isomer #51	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	5015.1	Semi standard non polar	33892256
Rutin,3TMS,isomer #52	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5006.9	Semi standard non polar	33892256
Rutin,3TMS,isomer #53	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4987.6	Semi standard non polar	33892256
Rutin,3TMS,isomer #54	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5007.1	Semi standard non polar	33892256
Rutin,3TMS,isomer #55	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	5005.4	Semi standard non polar	33892256
Rutin,3TMS,isomer #56	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4990.7	Semi standard non polar	33892256
Rutin,3TMS,isomer #57	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4971.2	Semi standard non polar	33892256
Rutin,3TMS,isomer #58	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4994.1	Semi standard non polar	33892256
Rutin,3TMS,isomer #59	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	5014.8	Semi standard non polar	33892256
Rutin,3TMS,isomer #6	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4978.0	Semi standard non polar	33892256
Rutin,3TMS,isomer #60	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4994.1	Semi standard non polar	33892256
Rutin,3TMS,isomer #61	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5015.2	Semi standard non polar	33892256
Rutin,3TMS,isomer #62	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4991.6	Semi standard non polar	33892256
Rutin,3TMS,isomer #63	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4998.5	Semi standard non polar	33892256
Rutin,3TMS,isomer #64	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4979.1	Semi standard non polar	33892256
Rutin,3TMS,isomer #65	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4980.3	Semi standard non polar	33892256
Rutin,3TMS,isomer #66	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4961.7	Semi standard non polar	33892256
Rutin,3TMS,isomer #67	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4988.2	Semi standard non polar	33892256
Rutin,3TMS,isomer #68	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4980.2	Semi standard non polar	33892256
Rutin,3TMS,isomer #69	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4956.0	Semi standard non polar	33892256
Rutin,3TMS,isomer #7	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4949.3	Semi standard non polar	33892256
Rutin,3TMS,isomer #70	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4980.0	Semi standard non polar	33892256
Rutin,3TMS,isomer #71	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4950.3	Semi standard non polar	33892256
Rutin,3TMS,isomer #72	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4970.9	Semi standard non polar	33892256
Rutin,3TMS,isomer #73	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4962.6	Semi standard non polar	33892256
Rutin,3TMS,isomer #74	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4936.6	Semi standard non polar	33892256
Rutin,3TMS,isomer #75	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4960.2	Semi standard non polar	33892256
Rutin,3TMS,isomer #76	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4958.1	Semi standard non polar	33892256
Rutin,3TMS,isomer #77	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4936.9	Semi standard non polar	33892256
Rutin,3TMS,isomer #78	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4910.9	Semi standard non polar	33892256
Rutin,3TMS,isomer #79	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4940.9	Semi standard non polar	33892256
Rutin,3TMS,isomer #8	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4979.8	Semi standard non polar	33892256
Rutin,3TMS,isomer #80	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4971.5	Semi standard non polar	33892256
Rutin,3TMS,isomer #81	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4943.7	Semi standard non polar	33892256
Rutin,3TMS,isomer #82	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4967.7	Semi standard non polar	33892256
Rutin,3TMS,isomer #83	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4951.5	Semi standard non polar	33892256
Rutin,3TMS,isomer #84	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4957.7	Semi standard non polar	33892256
Rutin,3TMS,isomer #85	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4939.5	Semi standard non polar	33892256
Rutin,3TMS,isomer #86	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4963.6	Semi standard non polar	33892256
Rutin,3TMS,isomer #87	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4983.6	Semi standard non polar	33892256
Rutin,3TMS,isomer #88	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4974.4	Semi standard non polar	33892256
Rutin,3TMS,isomer #89	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4949.4	Semi standard non polar	33892256
Rutin,3TMS,isomer #9	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4960.2	Semi standard non polar	33892256
Rutin,3TMS,isomer #90	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4974.3	Semi standard non polar	33892256
Rutin,3TMS,isomer #91	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4971.4	Semi standard non polar	33892256
Rutin,3TMS,isomer #92	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4949.2	Semi standard non polar	33892256
Rutin,3TMS,isomer #93	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4925.7	Semi standard non polar	33892256
Rutin,3TMS,isomer #94	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4955.4	Semi standard non polar	33892256
Rutin,3TMS,isomer #95	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4983.3	Semi standard non polar	33892256
Rutin,3TMS,isomer #96	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4957.5	Semi standard non polar	33892256
Rutin,3TMS,isomer #97	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4982.3	Semi standard non polar	33892256
Rutin,3TMS,isomer #98	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4962.5	Semi standard non polar	33892256
Rutin,3TMS,isomer #99	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4968.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #1	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4884.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #10	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4863.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #100	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4864.1	Semi standard non polar	33892256
Rutin,4TMS,isomer #101	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4833.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #102	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4865.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #103	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4855.9	Semi standard non polar	33892256
Rutin,4TMS,isomer #104	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4856.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #105	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4839.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #106	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4835.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #107	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4848.1	Semi standard non polar	33892256
Rutin,4TMS,isomer #108	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4845.9	Semi standard non polar	33892256
Rutin,4TMS,isomer #109	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4810.5	Semi standard non polar	33892256
Rutin,4TMS,isomer #11	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4861.8	Semi standard non polar	33892256
Rutin,4TMS,isomer #110	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4843.1	Semi standard non polar	33892256
Rutin,4TMS,isomer #111	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4842.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #112	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4814.3	Semi standard non polar	33892256
Rutin,4TMS,isomer #113	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4780.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #114	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4812.8	Semi standard non polar	33892256
Rutin,4TMS,isomer #115	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4851.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #116	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4819.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #117	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4851.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #118	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4846.3	Semi standard non polar	33892256
Rutin,4TMS,isomer #119	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4843.9	Semi standard non polar	33892256
Rutin,4TMS,isomer #12	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4826.3	Semi standard non polar	33892256
Rutin,4TMS,isomer #120	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4828.1	Semi standard non polar	33892256
Rutin,4TMS,isomer #121	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4963.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #122	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4940.5	Semi standard non polar	33892256
Rutin,4TMS,isomer #123	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4913.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #124	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4943.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #125	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4955.3	Semi standard non polar	33892256
Rutin,4TMS,isomer #126	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4933.5	Semi standard non polar	33892256
Rutin,4TMS,isomer #127	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4961.8	Semi standard non polar	33892256
Rutin,4TMS,isomer #128	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4946.1	Semi standard non polar	33892256
Rutin,4TMS,isomer #129	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4955.8	Semi standard non polar	33892256
Rutin,4TMS,isomer #13	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4860.9	Semi standard non polar	33892256
Rutin,4TMS,isomer #130	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4938.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #131	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4950.1	Semi standard non polar	33892256
Rutin,4TMS,isomer #132	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4921.3	Semi standard non polar	33892256
Rutin,4TMS,isomer #133	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4952.1	Semi standard non polar	33892256
Rutin,4TMS,isomer #134	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4919.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #135	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4930.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #136	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4909.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #137	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4949.9	Semi standard non polar	33892256
Rutin,4TMS,isomer #138	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4962.9	Semi standard non polar	33892256
Rutin,4TMS,isomer #139	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4942.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #14	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4875.9	Semi standard non polar	33892256
Rutin,4TMS,isomer #140	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4947.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #141	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4896.8	Semi standard non polar	33892256
Rutin,4TMS,isomer #142	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4909.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #143	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4915.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #144	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4877.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #145	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4912.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #146	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4900.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #147	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4876.8	Semi standard non polar	33892256
Rutin,4TMS,isomer #148	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4841.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #149	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4877.3	Semi standard non polar	33892256
Rutin,4TMS,isomer #15	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4891.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #150	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4917.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #151	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4881.3	Semi standard non polar	33892256
Rutin,4TMS,isomer #152	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4916.8	Semi standard non polar	33892256
Rutin,4TMS,isomer #153	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4906.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #154	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4911.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #155	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4892.1	Semi standard non polar	33892256
Rutin,4TMS,isomer #156	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4906.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #157	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4876.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #158	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4842.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #159	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4875.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #16	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4881.8	Semi standard non polar	33892256
Rutin,4TMS,isomer #160	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4889.1	Semi standard non polar	33892256
Rutin,4TMS,isomer #161	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4858.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #162	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4890.1	Semi standard non polar	33892256
Rutin,4TMS,isomer #163	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4884.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #164	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4891.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #165	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4874.1	Semi standard non polar	33892256
Rutin,4TMS,isomer #166	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4883.3	Semi standard non polar	33892256
Rutin,4TMS,isomer #167	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4848.3	Semi standard non polar	33892256
Rutin,4TMS,isomer #168	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4882.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #169	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4847.9	Semi standard non polar	33892256
Rutin,4TMS,isomer #17	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4847.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #170	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4853.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #171	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4833.9	Semi standard non polar	33892256
Rutin,4TMS,isomer #172	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4887.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #173	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4895.1	Semi standard non polar	33892256
Rutin,4TMS,isomer #174	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4877.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #175	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4897.8	Semi standard non polar	33892256
Rutin,4TMS,isomer #176	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4912.8	Semi standard non polar	33892256
Rutin,4TMS,isomer #177	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4883.5	Semi standard non polar	33892256
Rutin,4TMS,isomer #178	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4851.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #179	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4883.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #18	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4881.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #180	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4898.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #181	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4867.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #182	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4900.3	Semi standard non polar	33892256
Rutin,4TMS,isomer #183	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4890.1	Semi standard non polar	33892256
Rutin,4TMS,isomer #184	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4899.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #185	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4880.5	Semi standard non polar	33892256
Rutin,4TMS,isomer #186	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4892.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #187	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4857.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #188	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4891.1	Semi standard non polar	33892256
Rutin,4TMS,isomer #189	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4855.5	Semi standard non polar	33892256
Rutin,4TMS,isomer #19	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4884.1	Semi standard non polar	33892256
Rutin,4TMS,isomer #190	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4863.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #191	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4842.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #192	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4894.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #193	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4904.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #194	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4884.3	Semi standard non polar	33892256
Rutin,4TMS,isomer #195	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4901.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #196	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4998.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #197	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4985.3	Semi standard non polar	33892256
Rutin,4TMS,isomer #198	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	5006.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #199	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4966.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #2	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4903.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #20	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4850.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #200	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4972.8	Semi standard non polar	33892256
Rutin,4TMS,isomer #201	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4962.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #202	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4978.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #203	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4987.8	Semi standard non polar	33892256
Rutin,4TMS,isomer #204	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4980.1	Semi standard non polar	33892256
Rutin,4TMS,isomer #205	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4983.5	Semi standard non polar	33892256
Rutin,4TMS,isomer #206	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4979.9	Semi standard non polar	33892256
Rutin,4TMS,isomer #207	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4989.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #208	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4976.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #209	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4963.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #21	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4815.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #210	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4990.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #22	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4850.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #23	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4889.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #24	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4856.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #25	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4890.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #26	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4879.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #27	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4879.8	Semi standard non polar	33892256
Rutin,4TMS,isomer #28	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4863.1	Semi standard non polar	33892256
Rutin,4TMS,isomer #29	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4839.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #3	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4878.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #30	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4815.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #31	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4850.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #32	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4849.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #33	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4812.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #34	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4847.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #35	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4863.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #36	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4878.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #37	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4871.5	Semi standard non polar	33892256
Rutin,4TMS,isomer #38	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4835.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #39	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4869.5	Semi standard non polar	33892256
Rutin,4TMS,isomer #4	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4912.9	Semi standard non polar	33892256
Rutin,4TMS,isomer #40	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4871.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #41	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4837.9	Semi standard non polar	33892256
Rutin,4TMS,isomer #42	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4803.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #43	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4837.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #44	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4878.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #45	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4843.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #46	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4877.9	Semi standard non polar	33892256
Rutin,4TMS,isomer #47	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4870.3	Semi standard non polar	33892256
Rutin,4TMS,isomer #48	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4868.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #49	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4853.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #5	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4910.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #50	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4910.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #51	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4926.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #52	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4933.8	Semi standard non polar	33892256
Rutin,4TMS,isomer #53	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4898.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #54	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4933.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #55	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4915.3	Semi standard non polar	33892256
Rutin,4TMS,isomer #56	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4899.1	Semi standard non polar	33892256
Rutin,4TMS,isomer #57	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4862.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #58	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4900.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #59	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4936.9	Semi standard non polar	33892256
Rutin,4TMS,isomer #6	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4875.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #60	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4900.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #61	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4936.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #62	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4919.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #63	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4928.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #64	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4904.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #65	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4992.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #66	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4969.3	Semi standard non polar	33892256
Rutin,4TMS,isomer #67	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4941.3	Semi standard non polar	33892256
Rutin,4TMS,isomer #68	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4970.5	Semi standard non polar	33892256
Rutin,4TMS,isomer #69	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4986.5	Semi standard non polar	33892256
Rutin,4TMS,isomer #7	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4908.3	Semi standard non polar	33892256
Rutin,4TMS,isomer #70	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4963.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #71	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4989.9	Semi standard non polar	33892256
Rutin,4TMS,isomer #72	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4975.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #73	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4985.5	Semi standard non polar	33892256
Rutin,4TMS,isomer #74	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4965.8	Semi standard non polar	33892256
Rutin,4TMS,isomer #75	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4978.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #76	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4949.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #77	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4978.5	Semi standard non polar	33892256
Rutin,4TMS,isomer #78	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4945.8	Semi standard non polar	33892256
Rutin,4TMS,isomer #79	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4954.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #8	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4853.8	Semi standard non polar	33892256
Rutin,4TMS,isomer #80	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4933.5	Semi standard non polar	33892256
Rutin,4TMS,isomer #81	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4979.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #82	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4991.1	Semi standard non polar	33892256
Rutin,4TMS,isomer #83	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4970.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #84	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4979.3	Semi standard non polar	33892256
Rutin,4TMS,isomer #85	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4874.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #86	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4850.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #87	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4883.5	Semi standard non polar	33892256
Rutin,4TMS,isomer #88	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4883.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #89	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4848.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #9	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4829.3	Semi standard non polar	33892256
Rutin,4TMS,isomer #90	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4879.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #91	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4848.4	Semi standard non polar	33892256
Rutin,4TMS,isomer #92	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4862.7	Semi standard non polar	33892256
Rutin,4TMS,isomer #93	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4857.2	Semi standard non polar	33892256
Rutin,4TMS,isomer #94	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4823.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #95	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4855.9	Semi standard non polar	33892256
Rutin,4TMS,isomer #96	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	4857.0	Semi standard non polar	33892256
Rutin,4TMS,isomer #97	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4826.5	Semi standard non polar	33892256
Rutin,4TMS,isomer #98	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4794.6	Semi standard non polar	33892256
Rutin,4TMS,isomer #99	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4827.5	Semi standard non polar	33892256
Rutin,1TBDMS,isomer #1	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5455.0	Semi standard non polar	33892256
Rutin,1TBDMS,isomer #10	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5442.6	Semi standard non polar	33892256
Rutin,1TBDMS,isomer #2	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5440.6	Semi standard non polar	33892256
Rutin,1TBDMS,isomer #3	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5420.4	Semi standard non polar	33892256
Rutin,1TBDMS,isomer #4	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5450.1	Semi standard non polar	33892256
Rutin,1TBDMS,isomer #5	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5437.5	Semi standard non polar	33892256
Rutin,1TBDMS,isomer #6	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5425.1	Semi standard non polar	33892256
Rutin,1TBDMS,isomer #7	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O	5441.2	Semi standard non polar	33892256
Rutin,1TBDMS,isomer #8	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	5449.1	Semi standard non polar	33892256
Rutin,1TBDMS,isomer #9	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5420.6	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #1	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5511.9	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #10	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5493.6	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #11	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5462.7	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #12	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5463.5	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #13	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5457.6	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #14	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O	5472.0	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #15	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	5471.5	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #16	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5447.0	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #17	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5474.9	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #18	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5462.9	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #19	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5439.8	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #2	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5482.5	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #20	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5432.2	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #21	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O	5448.0	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #22	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	5445.3	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #23	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5423.3	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #24	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5453.1	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #25	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5468.2	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #26	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5458.8	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #27	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O	5476.0	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #28	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	5472.3	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #29	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5449.9	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #3	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5471.7	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #30	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5481.4	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #31	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5472.0	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #32	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O	5473.7	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #33	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	5475.0	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #34	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5455.8	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #35	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5476.5	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #36	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O	5482.2	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #37	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	5466.8	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #38	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5444.3	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #39	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5466.7	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #4	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5481.2	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #40	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	5480.4	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #41	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5459.5	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #42	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5479.4	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #43	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5480.3	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #44	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5478.9	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #45	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	5463.2	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #5	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	5471.4	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #6	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O	5486.7	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #7	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	5487.2	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #8	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5461.9	Semi standard non polar	33892256
Rutin,2TBDMS,isomer #9	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5488.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (Non-derivatized) - 70eV, Positive	splash10-052p-7581190000-d9593c696e6c6e2454ed	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rutin GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Rutin Quattro_QQQ 10V, Positive-QTOF (Annotated)	splash10-03di-0000009000-a6b8403579a83c69506b	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Rutin Quattro_QQQ 25V, Positive-QTOF (Annotated)	splash10-03di-0002009000-ffacf122369038644c02	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Rutin Quattro_QQQ 40V, Positive-QTOF (Annotated)	splash10-0w29-5009015000-f74826ba5205775d12b8	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Rutin LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 5V, Positive-QTOF	splash10-03di-0003109000-85542c3510756d258e11	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Rutin LC-ESI-ITTOF (LCMS-IT-TOF) , Positive-QTOF	splash10-0ik9-0008109000-f0d08078ad4b887cce0d	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Rutin LC-ESI-ITTOF (LCMS-IT-TOF) , Negative-QTOF	splash10-0a4i-0000009000-f07697affe03ff93dad3	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Rutin LC-ESI-ITTOF (LCMS-IT-TOF) , Positive-QTOF	splash10-0udi-0009000000-1b117e308c1ab00aa4a7	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Rutin ESI-TOF , Negative-QTOF	splash10-0a4i-0000009000-270308e3f77a0404dea8	2017-08-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Rutin ESI-TOF 10V, Negative-QTOF	splash10-0a4i-0010009000-f94b0edacf4c3bc9c9e3	2017-08-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Rutin ESI-TOF 40V, Negative-QTOF	splash10-0udi-0049001000-8327d9d15b0d22a0c968	2017-08-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Rutin ESI-TOF , Negative-QTOF	splash10-0a4i-0000009000-270308e3f77a0404dea8	2017-09-12	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Rutin ESI-TOF 10V, Negative-QTOF	splash10-0a4i-0010009000-f94b0edacf4c3bc9c9e3	2017-09-12	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Rutin ESI-TOF 40V, Negative-QTOF	splash10-0udi-0049001000-8327d9d15b0d22a0c968	2017-09-12	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Rutin LC-ESI-qTof , Positive-QTOF	splash10-0udi-0009100000-dfc0a2b72193a5072dde	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Rutin LC-ESI-QTOF , negative-QTOF	splash10-0a4i-0000009000-dd163a2a17fe559c3482	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Rutin LC-ESI-QTOF , negative-QTOF	splash10-0a4i-0000009000-7b408d31853f85c12619	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Rutin LC-ESI-QTOF , negative-QTOF	splash10-0a4i-0001009000-3a559cbd175dfd7bafc9	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Rutin LC-ESI-QTOF , negative-QTOF	splash10-0udi-0009005000-a090fd87b44b66b9f0c0	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Rutin LC-ESI-QTOF , negative-QTOF	splash10-0udi-0009000000-8454cc7afaccaa2be7ac	2017-09-14	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Rutin 10V, Positive-QTOF	splash10-0udi-0139143000-0b231bbaf0f8cd578ce9	2017-07-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Rutin 20V, Positive-QTOF	splash10-0udi-0249200000-5766b78c90749219634c	2017-07-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Rutin 40V, Positive-QTOF	splash10-0udr-1955000000-49ac7b74c557179bbcae	2017-07-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Rutin 10V, Negative-QTOF	splash10-0pb9-5539337000-13a750c25d00b7185c08	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Rutin 20V, Negative-QTOF	splash10-0udi-3539010000-707593795636ef3841c1	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Rutin 40V, Negative-QTOF	splash10-0udi-3966000000-61676ecb8f5b5e514760	2017-07-26	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Experimental 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, CD₃OD, experimental)	2012-12-05	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm (predicted from logP)

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.72-0.75 uM	Adult (>18 years old)	Both	Normal	9003810	details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 296	10353226	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB01698

Phenol Explorer Compound ID

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Rutin

METLIN ID

3677

PubChem Compound

5280805

PDB ID

Not Available

ChEBI ID

28527

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1302941

References

Synthesis Reference

Winderlich, A. Viola Rutin (Violaquercitrin). Arch. Pharm. (1909), 246 224-38. CAN 3:1624 AN 1909:1624

Material Safety Data Sheet (MSDS)

Not Available

General References

Lindahl M, Tagesson C: Flavonoids as phospholipase A2 inhibitors: importance of their structure for selective inhibition of group II phospholipase A2. Inflammation. 1997 Jun;21(3):347-56. [PubMed:9246576 ]
Olthof MR, Hollman PC, Buijsman MN, van Amelsvoort JM, Katan MB: Chlorogenic acid, quercetin-3-rutinoside and black tea phenols are extensively metabolized in humans. J Nutr. 2003 Jun;133(6):1806-14. [PubMed:12771321 ]
Broks PD: Effect of o-(beta-hydroxyethyl)-rutoside in lymphangiography. AJR Am J Roentgenol. 1977 Feb;128(2):263-5. [PubMed:401613 ]
Hackett AM, Griffiths LA, Luyckx AS, van Cauwenberge H: Metabolism of hydroxyethylrutosides (HR): metabolism of [14C]-HR in man. Arzneimittelforschung. 1976;26(5):925-8. [PubMed:989368 ]
Nielsen SE, Freese R, Cornett C, Dragsted LO: Identification and quantification of flavonoids in human urine samples by column-switching liquid chromatography coupled to atmospheric pressure chemical ionization mass spectrometry. Anal Chem. 2000 Apr 1;72(7):1503-9. [PubMed:10763246 ]
Bihari I, Meleg M: [Conservative management of lymphedema of the limbs]. Orv Hetil. 1991 Aug 4;132(31):1705-8. [PubMed:1866167 ]
Gerdin B, Svensjo E: Inhibitory effect of the flavonoid O-(beta-hydroxyethyl)-rutoside on increased microvascular permeability induced by various agents in rat skin. Int J Microcirc Clin Exp. 1983;2(1):39-46. [PubMed:6088413 ]
Kim H, Kong H, Choi B, Yang Y, Kim Y, Lim MJ, Neckers L, Jung Y: Metabolic and pharmacological properties of rutin, a dietary quercetin glycoside, for treatment of inflammatory bowel disease. Pharm Res. 2005 Sep;22(9):1499-509. Epub 2005 Aug 24. [PubMed:16132362 ]

Enzymes

Enzyme Details

1. Aldo-keto reductase family 1 member C3

General function:: Involved in oxidoreductase activity
Specific function:: Catalyzes the conversion of aldehydes and ketones to alcohols. Catalyzes the reduction of prostaglandin (PG) D2, PGH2 and phenanthrenequinone (PQ) and the oxidation of 9-alpha,11-beta-PGF2 to PGD2. Functions as a bi-directional 3-alpha-, 17-beta- and 20-alpha HSD. Can interconvert active androgens, estrogens and progestins with their cognate inactive metabolites. Preferentially transforms androstenedione (4-dione) to testosterone.
Gene Name:: AKR1C3
Uniprot ID:: P42330
Molecular weight:: 36866.91

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]

Enzyme Details

2. Cytochrome P450 3A4

General function:: Involved in monooxygenase activity
Specific function:: Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation reactions (e.g. caffeine 8-oxidation, omeprazole sulphoxidation, midazolam 1'-hydroxylation and midazolam 4-hydroxylation) of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,8-cineole 2-exo-monooxygenase. The enzyme also hydroxylates etoposide.
Gene Name:: CYP3A4
Uniprot ID:: P08684
Molecular weight:: 57255.585

References

Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]

Enzyme Details

3. Cytochrome P450 2C9

General function:: Involved in monooxygenase activity
Specific function:: Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. This enzyme contributes to the wide pharmacokinetics variability of the metabolism of drugs such as S-warfarin, diclofenac, phenytoin, tolbutamide and losartan.
Gene Name:: CYP2C9
Uniprot ID:: P11712
Molecular weight:: 55627.365

References

Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]

Enzyme Details

4. Cytochrome P450 2D6

General function:: Involved in monooxygenase activity
Specific function:: Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic antidepressants.
Gene Name:: CYP2D6
Uniprot ID:: P10635
Molecular weight:: 55768.94

References

Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]

Enzyme Details

5. Cytochrome P450 2C8

General function:: Involved in monooxygenase activity
Specific function:: Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. In the epoxidation of arachidonic acid it generates only 14,15- and 11,12-cis-epoxyeicosatrienoic acids. It is the principal enzyme responsible for the metabolism the anti-cancer drug paclitaxel (taxol).
Gene Name:: CYP2C8
Uniprot ID:: P10632
Molecular weight:: 55824.275

References

Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]

Showing metabocard for Rutin (HMDB0003249)

MOL for HMDB0003249 (Rutin)

3D MOL for HMDB0003249 (Rutin)

3D SDF for HMDB0003249 (Rutin)

3D-SDF for HMDB0003249 (Rutin)

PDB for HMDB0003249 (Rutin)

3D PDB for HMDB0003249 (Rutin)

SMILES for HMDB0003249 (Rutin)

INCHI for HMDB0003249 (Rutin)

Structure for HMDB0003249 (Rutin)

3D Structure for HMDB0003249 (Rutin)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

References

References

References

References

References