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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (3) Show 3 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 22:39:21 UTC

Update Date

2022-03-07 02:55:19 UTC

HMDB ID

HMDB0037410

Secondary Accession Numbers

HMDB37410

Metabolite Identification

Common Name

6,8-Diglucosyldiosmetin

Description

6,8-Diglucosyldiosmetin belongs to the class of organic compounds known as flavonoid 8-c-glycosides. Flavonoid 8-C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. 6,8-Diglucosyldiosmetin is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, 6,8-Diglucosyldiosmetin has been detected, but not quantified in, citrus and lemons. This could make 6,8-diglucosyldiosmetin a potential biomarker for the consumption of these foods.

Structure

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


  Mrv0541 05061309462D          

 44 48  0  0  0  0            999 V2000
   -5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  8  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 11  9  2  0  0  0  0
 12  5  2  0  0  0  0
 12  8  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  2  0  0  0  0
 20 16  1  0  0  0  0
 21 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 26 15  1  0  0  0  0
 26 17  2  0  0  0  0
 27 16  1  0  0  0  0
 27 24  1  0  0  0  0
 28 17  1  0  0  0  0
 28 25  1  0  0  0  0
 29  6  1  0  0  0  0
 30  7  1  0  0  0  0
 31  9  1  0  0  0  0
 32 10  2  0  0  0  0
 33 18  1  0  0  0  0
 34 19  1  0  0  0  0
 35 20  1  0  0  0  0
 36 21  1  0  0  0  0
 37 22  1  0  0  0  0
 38 23  1  0  0  0  0
 39 24  1  0  0  0  0
 40 25  1  0  0  0  0
 41  1  1  0  0  0  0
 41 11  1  0  0  0  0
 42 12  1  0  0  0  0
 42 26  1  0  0  0  0
 43 13  1  0  0  0  0
 43 27  1  0  0  0  0
 44 14  1  0  0  0  0
 44 28  1  0  0  0  0
M  END

HMDB0037410
     RDKit          3D
6,8-Diglucosyldiosmetin
 76 80  0  0  0  0  0  0  0  0999 V2000
    8.7736    0.7219   -1.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0317   -0.4185   -0.9049 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6665   -0.5730   -1.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8571    0.4406   -1.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4760    0.2279   -1.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8965   -0.9690   -1.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610   -1.2046   -1.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9395   -2.4052   -1.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5803   -2.6695   -1.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0895   -3.7546   -1.7672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2308   -1.6782   -0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6101   -1.8634   -0.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2219   -2.9941   -1.0612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3934   -0.8178   -0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8105   -1.0885   -0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2322   -2.0978   -0.8086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4983   -2.5583   -0.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0637   -2.9264   -1.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2344   -3.9035   -2.5776 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4878   -1.6822    0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4576   -2.5471    0.6933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9597   -0.6984    1.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6208   -0.9519    2.3051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4910   -0.9636    1.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9301   -0.1906    2.2267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7995    0.3386    0.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4043    1.4441    0.7920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4186    0.5441    0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2119    1.7242    0.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1639    2.0139    1.8609 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7853    2.8191    2.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1539    2.2537    2.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2164    1.0203    3.3220 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9094    4.1349    1.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8532    4.9154    2.4283 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3930    3.8598    0.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3124    5.1118   -0.3128 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5492    2.8485   -0.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276    3.5374   -0.7268 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3368   -0.4724   -0.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6412   -0.2993   -0.6315 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8052   -1.9550   -0.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1427   -1.8031   -0.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9578   -2.8183   -0.2055 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4783    1.6110   -0.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8295    0.5213   -0.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7287    1.0309   -2.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2866    1.3903   -1.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8436    1.0428   -1.9229 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360   -3.2128   -1.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9612   -3.8128   -1.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3070   -0.1313   -0.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4635   -3.5450   -0.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0562   -3.3539   -1.9034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9966   -2.0557   -2.6454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7819   -3.5126   -3.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0893   -1.1566   -0.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1683   -3.4852    0.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1962    0.3386    0.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5065   -0.4951    2.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5524   -2.0612    1.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2701   -0.6539    2.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3226    1.7022    0.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3351    1.3185    0.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4090    3.0352    3.5005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7872    2.2357    1.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7065    2.9509    3.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    0.9269    3.6088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0979    4.5884    1.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9935    5.7034    1.8038 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4837    3.6275    0.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8814    5.0188   -1.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1208    2.5163   -1.1964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0885    2.8589   -1.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3633   -2.9145   -0.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5374   -3.6790    0.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
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 12 13  1  0
 12 14  1  0
 14 15  1  0
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 22 24  1  0
 24 25  1  0
 14 26  2  0
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 30 31  1  0
 31 32  1  0
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  6 42  1  0
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 43  3  1  0
 41  7  1  0
 40 11  1  0
 24 15  1  0
 38 29  1  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
  4 48  1  0
  5 49  1  0
  8 50  1  0
 13 51  1  0
 15 52  1  0
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 33 68  1  0
 34 69  1  0
 35 70  1  0
 36 71  1  0
 37 72  1  0
 38 73  1  0
 39 74  1  0
 42 75  1  0
 44 76  1  0
M  END


  Mrv0541 05061309462D          

 44 48  0  0  0  0            999 V2000
   -5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  8  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 11  9  2  0  0  0  0
 12  5  2  0  0  0  0
 12  8  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  2  0  0  0  0
 20 16  1  0  0  0  0
 21 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 26 15  1  0  0  0  0
 26 17  2  0  0  0  0
 27 16  1  0  0  0  0
 27 24  1  0  0  0  0
 28 17  1  0  0  0  0
 28 25  1  0  0  0  0
 29  6  1  0  0  0  0
 30  7  1  0  0  0  0
 31  9  1  0  0  0  0
 32 10  2  0  0  0  0
 33 18  1  0  0  0  0
 34 19  1  0  0  0  0
 35 20  1  0  0  0  0
 36 21  1  0  0  0  0
 37 22  1  0  0  0  0
 38 23  1  0  0  0  0
 39 24  1  0  0  0  0
 40 25  1  0  0  0  0
 41  1  1  0  0  0  0
 41 11  1  0  0  0  0
 42 12  1  0  0  0  0
 42 26  1  0  0  0  0
 43 13  1  0  0  0  0
 43 27  1  0  0  0  0
 44 14  1  0  0  0  0
 44 28  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037410

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C28H32O16/c1-41-11-3-2-8(4-9(11)31)12-5-10(32)15-20(35)16(27-24(39)22(37)18(33)13(6-29)43-27)21(36)17(26(15)42-12)28-25(40)23(38)19(34)14(7-30)44-28/h2-5,13-14,18-19,22-25,27-31,33-40H,6-7H2,1H3

> <INCHI_KEY>
GEFQDWALEWZTAR-UHFFFAOYSA-N

> <FORMULA>
C28H32O16

> <MOLECULAR_WEIGHT>
624.5441

> <EXACT_MASS>
624.169034976

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
60.76668689964504

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one

> <ALOGPS_LOGP>
-0.94

> <JCHEM_LOGP>
-2.9656239419999992

> <ALOGPS_LOGS>
-1.83

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.762383367009413

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.76379910964795

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6447308976215727

> <JCHEM_POLAR_SURFACE_AREA>
276.52

> <JCHEM_REFRACTIVITY>
145.6137

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.26e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037410
     RDKit          3D
6,8-Diglucosyldiosmetin
 76 80  0  0  0  0  0  0  0  0999 V2000
    8.7736    0.7219   -1.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0317   -0.4185   -0.9049 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6665   -0.5730   -1.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8571    0.4406   -1.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4760    0.2279   -1.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8965   -0.9690   -1.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610   -1.2046   -1.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9395   -2.4052   -1.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5803   -2.6695   -1.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0895   -3.7546   -1.7672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2308   -1.6782   -0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6101   -1.8634   -0.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2219   -2.9941   -1.0612 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4983   -2.5583   -0.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0637   -2.9264   -1.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2344   -3.9035   -2.5776 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4878   -1.6822    0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4576   -2.5471    0.6933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9597   -0.6984    1.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6208   -0.9519    2.3051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4910   -0.9636    1.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9301   -0.1906    2.2267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7995    0.3386    0.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4043    1.4441    0.7920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4186    0.5441    0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2119    1.7242    0.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1639    2.0139    1.8609 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7853    2.8191    2.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1539    2.2537    2.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2164    1.0203    3.3220 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9094    4.1349    1.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8532    4.9154    2.4283 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3930    3.8598    0.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3124    5.1118   -0.3128 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5492    2.8485   -0.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276    3.5374   -0.7268 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3368   -0.4724   -0.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6412   -0.2993   -0.6315 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8052   -1.9550   -0.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1427   -1.8031   -0.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9578   -2.8183   -0.2055 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4783    1.6110   -0.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8295    0.5213   -0.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7287    1.0309   -2.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2866    1.3903   -1.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8436    1.0428   -1.9229 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360   -3.2128   -1.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9612   -3.8128   -1.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3070   -0.1313   -0.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4635   -3.5450   -0.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0562   -3.3539   -1.9034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9966   -2.0557   -2.6454 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0893   -1.1566   -0.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1683   -3.4852    0.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1962    0.3386    0.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5065   -0.4951    2.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5524   -2.0612    1.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2701   -0.6539    2.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3226    1.7022    0.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3351    1.3185    0.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4090    3.0352    3.5005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7872    2.2357    1.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7065    2.9509    3.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    0.9269    3.6088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0979    4.5884    1.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9935    5.7034    1.8038 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4837    3.6275    0.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8814    5.0188   -1.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1208    2.5163   -1.1964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0885    2.8589   -1.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3633   -2.9145   -0.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5374   -3.6790    0.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 22 24  1  0
 24 25  1  0
 14 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
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 31 32  1  0
 32 33  1  0
 31 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 28 40  2  0
 40 41  1  0
  6 42  1  0
 42 43  2  0
 43 44  1  0
 43  3  1  0
 41  7  1  0
 40 11  1  0
 24 15  1  0
 38 29  1  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
  4 48  1  0
  5 49  1  0
  8 50  1  0
 13 51  1  0
 15 52  1  0
 17 53  1  0
 18 54  1  0
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 24 61  1  0
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 27 63  1  0
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 31 65  1  0
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 33 68  1  0
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 35 70  1  0
 36 71  1  0
 37 72  1  0
 38 73  1  0
 39 74  1  0
 42 75  1  0
 44 76  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -9.336   3.850   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.335   4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -6.668   3.850   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       5.335   6.160   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -8.002   1.540   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       1.334   8.470   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       8.002   0.000   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -1.334   6.930   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -8.002   4.620   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       2.667   4.620   0.000  0.00  0.00           O+0
CONECT    1   41                                                            
CONECT    2    3    8                                                       
CONECT    3    2   11                                                       
CONECT    4    8    9                                                       
CONECT    5   10   12                                                       
CONECT    6   13   29                                                       
CONECT    7   14   30                                                       
CONECT    8    2    4   12                                                  
CONECT    9    4   11   31                                                  
CONECT   10    5   15   32                                                  
CONECT   11    3    9   41                                                  
CONECT   12    5    8   42                                                  
CONECT   13    6   18   43                                                  
CONECT   14    7   19   44                                                  
CONECT   15   10   20   26                                                  
CONECT   16   20   21   27                                                  
CONECT   17   21   26   28                                                  
CONECT   18   13   22   33                                                  
CONECT   19   14   23   34                                                  
CONECT   20   15   16   35                                                  
CONECT   21   16   17   36                                                  
CONECT   22   18   24   37                                                  
CONECT   23   19   25   38                                                  
CONECT   24   22   27   39                                                  
CONECT   25   23   28   40                                                  
CONECT   26   15   17   42                                                  
CONECT   27   16   24   43                                                  
CONECT   28   17   25   44                                                  
CONECT   29    6                                                            
CONECT   30    7                                                            
CONECT   31    9                                                            
CONECT   32   10                                                            
CONECT   33   18                                                            
CONECT   34   19                                                            
CONECT   35   20                                                            
CONECT   36   21                                                            
CONECT   37   22                                                            
CONECT   38   23                                                            
CONECT   39   24                                                            
CONECT   40   25                                                            
CONECT   41    1   11                                                       
CONECT   42   12   26                                                       
CONECT   43   13   27                                                       
CONECT   44   14   28                                                       
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

COMPND    HMDB0037410
HETATM    1  C1  UNL     1       8.774   0.722  -1.233  1.00  0.00           C  
HETATM    2  O1  UNL     1       8.032  -0.418  -0.905  1.00  0.00           O  
HETATM    3  C2  UNL     1       6.666  -0.573  -1.021  1.00  0.00           C  
HETATM    4  C3  UNL     1       5.857   0.441  -1.478  1.00  0.00           C  
HETATM    5  C4  UNL     1       4.476   0.228  -1.573  1.00  0.00           C  
HETATM    6  C5  UNL     1       3.896  -0.969  -1.224  1.00  0.00           C  
HETATM    7  C6  UNL     1       2.461  -1.205  -1.113  1.00  0.00           C  
HETATM    8  C7  UNL     1       1.939  -2.405  -1.513  1.00  0.00           C  
HETATM    9  C8  UNL     1       0.580  -2.669  -1.410  1.00  0.00           C  
HETATM   10  O2  UNL     1       0.090  -3.755  -1.767  1.00  0.00           O  
HETATM   11  C9  UNL     1      -0.231  -1.678  -0.894  1.00  0.00           C  
HETATM   12  C10 UNL     1      -1.610  -1.863  -0.707  1.00  0.00           C  
HETATM   13  O3  UNL     1      -2.222  -2.994  -1.061  1.00  0.00           O  
HETATM   14  C11 UNL     1      -2.393  -0.818  -0.111  1.00  0.00           C  
HETATM   15  C12 UNL     1      -3.810  -1.088  -0.008  1.00  0.00           C  
HETATM   16  O4  UNL     1      -4.232  -2.098  -0.809  1.00  0.00           O  
HETATM   17  C13 UNL     1      -5.498  -2.558  -0.581  1.00  0.00           C  
HETATM   18  C14 UNL     1      -6.064  -2.926  -1.976  1.00  0.00           C  
HETATM   19  O5  UNL     1      -5.234  -3.904  -2.578  1.00  0.00           O  
HETATM   20  C15 UNL     1      -6.488  -1.682   0.087  1.00  0.00           C  
HETATM   21  O6  UNL     1      -7.458  -2.547   0.693  1.00  0.00           O  
HETATM   22  C16 UNL     1      -5.960  -0.698   1.082  1.00  0.00           C  
HETATM   23  O7  UNL     1      -6.621  -0.952   2.305  1.00  0.00           O  
HETATM   24  C17 UNL     1      -4.491  -0.964   1.301  1.00  0.00           C  
HETATM   25  O8  UNL     1      -3.930  -0.191   2.227  1.00  0.00           O  
HETATM   26  C18 UNL     1      -1.800   0.339   0.245  1.00  0.00           C  
HETATM   27  O9  UNL     1      -2.404   1.444   0.792  1.00  0.00           O  
HETATM   28  C19 UNL     1      -0.419   0.544   0.062  1.00  0.00           C  
HETATM   29  C20 UNL     1       0.212   1.724   0.591  1.00  0.00           C  
HETATM   30  O10 UNL     1      -0.164   2.014   1.861  1.00  0.00           O  
HETATM   31  C21 UNL     1       0.785   2.819   2.501  1.00  0.00           C  
HETATM   32  C22 UNL     1       2.154   2.254   2.626  1.00  0.00           C  
HETATM   33  O11 UNL     1       2.216   1.020   3.322  1.00  0.00           O  
HETATM   34  C23 UNL     1       0.909   4.135   1.751  1.00  0.00           C  
HETATM   35  O12 UNL     1       1.853   4.915   2.428  1.00  0.00           O  
HETATM   36  C24 UNL     1       1.393   3.860   0.366  1.00  0.00           C  
HETATM   37  O13 UNL     1       1.312   5.112  -0.313  1.00  0.00           O  
HETATM   38  C25 UNL     1       0.549   2.848  -0.329  1.00  0.00           C  
HETATM   39  O14 UNL     1      -0.628   3.537  -0.727  1.00  0.00           O  
HETATM   40  C26 UNL     1       0.337  -0.472  -0.499  1.00  0.00           C  
HETATM   41  O15 UNL     1       1.641  -0.299  -0.632  1.00  0.00           O  
HETATM   42  C27 UNL     1       4.805  -1.955  -0.771  1.00  0.00           C  
HETATM   43  C28 UNL     1       6.143  -1.803  -0.658  1.00  0.00           C  
HETATM   44  O16 UNL     1       6.958  -2.818  -0.205  1.00  0.00           O  
HETATM   45  H1  UNL     1       8.478   1.611  -0.629  1.00  0.00           H  
HETATM   46  H2  UNL     1       9.829   0.521  -0.929  1.00  0.00           H  
HETATM   47  H3  UNL     1       8.729   1.031  -2.308  1.00  0.00           H  
HETATM   48  H4  UNL     1       6.287   1.390  -1.753  1.00  0.00           H  
HETATM   49  H5  UNL     1       3.844   1.043  -1.923  1.00  0.00           H  
HETATM   50  H6  UNL     1       2.536  -3.213  -1.917  1.00  0.00           H  
HETATM   51  H7  UNL     1      -1.961  -3.813  -1.431  1.00  0.00           H  
HETATM   52  H8  UNL     1      -4.307  -0.131  -0.576  1.00  0.00           H  
HETATM   53  H9  UNL     1      -5.464  -3.545  -0.011  1.00  0.00           H  
HETATM   54  H10 UNL     1      -7.056  -3.354  -1.903  1.00  0.00           H  
HETATM   55  H11 UNL     1      -5.997  -2.056  -2.645  1.00  0.00           H  
HETATM   56  H12 UNL     1      -4.782  -3.513  -3.396  1.00  0.00           H  
HETATM   57  H13 UNL     1      -7.089  -1.157  -0.730  1.00  0.00           H  
HETATM   58  H14 UNL     1      -7.168  -3.485   0.671  1.00  0.00           H  
HETATM   59  H15 UNL     1      -6.196   0.339   0.764  1.00  0.00           H  
HETATM   60  H16 UNL     1      -7.506  -0.495   2.349  1.00  0.00           H  
HETATM   61  H17 UNL     1      -4.552  -2.061   1.766  1.00  0.00           H  
HETATM   62  H18 UNL     1      -3.270  -0.654   2.838  1.00  0.00           H  
HETATM   63  H19 UNL     1      -3.323   1.702   0.959  1.00  0.00           H  
HETATM   64  H20 UNL     1       1.335   1.318   0.799  1.00  0.00           H  
HETATM   65  H21 UNL     1       0.409   3.035   3.501  1.00  0.00           H  
HETATM   66  H22 UNL     1       2.787   2.236   1.749  1.00  0.00           H  
HETATM   67  H23 UNL     1       2.706   2.951   3.343  1.00  0.00           H  
HETATM   68  H24 UNL     1       3.154   0.927   3.609  1.00  0.00           H  
HETATM   69  H25 UNL     1      -0.098   4.588   1.719  1.00  0.00           H  
HETATM   70  H26 UNL     1       1.994   5.703   1.804  1.00  0.00           H  
HETATM   71  H27 UNL     1       2.484   3.627   0.323  1.00  0.00           H  
HETATM   72  H28 UNL     1       0.881   5.019  -1.210  1.00  0.00           H  
HETATM   73  H29 UNL     1       1.121   2.516  -1.196  1.00  0.00           H  
HETATM   74  H30 UNL     1      -1.088   2.859  -1.349  1.00  0.00           H  
HETATM   75  H31 UNL     1       4.363  -2.914  -0.497  1.00  0.00           H  
HETATM   76  H32 UNL     1       6.537  -3.679   0.067  1.00  0.00           H  
CONECT    1    2   45   46   47
CONECT    2    3
CONECT    3    4    4   43
CONECT    4    5   48
CONECT    5    6    6   49
CONECT    6    7   42
CONECT    7    8    8   41
CONECT    8    9   50
CONECT    9   10   10   11
CONECT   11   12   12   40
CONECT   12   13   14
CONECT   13   51
CONECT   14   15   26   26
CONECT   15   16   24   52
CONECT   16   17
CONECT   17   18   20   53
CONECT   18   19   54   55
CONECT   19   56
CONECT   20   21   22   57
CONECT   21   58
CONECT   22   23   24   59
CONECT   23   60
CONECT   24   25   61
CONECT   25   62
CONECT   26   27   28
CONECT   27   63
CONECT   28   29   40   40
CONECT   29   30   38   64
CONECT   30   31
CONECT   31   32   34   65
CONECT   32   33   66   67
CONECT   33   68
CONECT   34   35   36   69
CONECT   35   70
CONECT   36   37   38   71
CONECT   37   72
CONECT   38   39   73
CONECT   39   74
CONECT   40   41
CONECT   42   43   43   75
CONECT   43   44
CONECT   44   76
END

HMDB0037410
     RDKit          3D
6,8-Diglucosyldiosmetin
 76 80  0  0  0  0  0  0  0  0999 V2000
    8.7736    0.7219   -1.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0317   -0.4185   -0.9049 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6665   -0.5730   -1.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8571    0.4406   -1.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4760    0.2279   -1.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8965   -0.9690   -1.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610   -1.2046   -1.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9395   -2.4052   -1.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5803   -2.6695   -1.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0895   -3.7546   -1.7672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2308   -1.6782   -0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6101   -1.8634   -0.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2219   -2.9941   -1.0612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3934   -0.8178   -0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8105   -1.0885   -0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2322   -2.0978   -0.8086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4983   -2.5583   -0.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0637   -2.9264   -1.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2344   -3.9035   -2.5776 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4878   -1.6822    0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4576   -2.5471    0.6933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9597   -0.6984    1.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6208   -0.9519    2.3051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4910   -0.9636    1.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9301   -0.1906    2.2267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7995    0.3386    0.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4043    1.4441    0.7920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4186    0.5441    0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2119    1.7242    0.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1639    2.0139    1.8609 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7853    2.8191    2.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1539    2.2537    2.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2164    1.0203    3.3220 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9094    4.1349    1.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8532    4.9154    2.4283 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3930    3.8598    0.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3124    5.1118   -0.3128 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5492    2.8485   -0.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276    3.5374   -0.7268 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3368   -0.4724   -0.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6412   -0.2993   -0.6315 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8052   -1.9550   -0.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1427   -1.8031   -0.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9578   -2.8183   -0.2055 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4783    1.6110   -0.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8295    0.5213   -0.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7287    1.0309   -2.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2866    1.3903   -1.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8436    1.0428   -1.9229 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360   -3.2128   -1.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9612   -3.8128   -1.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3070   -0.1313   -0.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4635   -3.5450   -0.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0562   -3.3539   -1.9034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9966   -2.0557   -2.6454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7819   -3.5126   -3.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0893   -1.1566   -0.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1683   -3.4852    0.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1962    0.3386    0.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5065   -0.4951    2.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5524   -2.0612    1.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2701   -0.6539    2.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3226    1.7022    0.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3351    1.3185    0.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4090    3.0352    3.5005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7872    2.2357    1.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7065    2.9509    3.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    0.9269    3.6088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0979    4.5884    1.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9935    5.7034    1.8038 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4837    3.6275    0.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8814    5.0188   -1.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1208    2.5163   -1.1964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0885    2.8589   -1.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3633   -2.9145   -0.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5374   -3.6790    0.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 14 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 31 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 28 40  2  0
 40 41  1  0
  6 42  1  0
 42 43  2  0
 43 44  1  0
 43  3  1  0
 41  7  1  0
 40 11  1  0
 24 15  1  0
 38 29  1  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
  4 48  1  0
  5 49  1  0
  8 50  1  0
 13 51  1  0
 15 52  1  0
 17 53  1  0
 18 54  1  0
 18 55  1  0
 19 56  1  0
 20 57  1  0
 21 58  1  0
 22 59  1  0
 23 60  1  0
 24 61  1  0
 25 62  1  0
 27 63  1  0
 29 64  1  0
 31 65  1  0
 32 66  1  0
 32 67  1  0
 33 68  1  0
 34 69  1  0
 35 70  1  0
 36 71  1  0
 37 72  1  0
 38 73  1  0
 39 74  1  0
 42 75  1  0
 44 76  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
6,8-Di-C-glucopyranosyldiosmetin	HMDB
6,8-Diglucopyranosyl-3',5,7-trihydroxy-4'-methoxyflavone	HMDB
6,8-Diglucopyranosyldiosmetin	HMDB

Chemical Formula

C₂₈H₃₂O₁₆

Average Molecular Weight

624.5441

Monoisotopic Molecular Weight

624.169034976

IUPAC Name

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one

Traditional Name

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

CAS Registry Number

98813-28-6

SMILES

COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O1

InChI Identifier

InChI=1S/C28H32O16/c1-41-11-3-2-8(4-9(11)31)12-5-10(32)15-20(35)16(27-24(39)22(37)18(33)13(6-29)43-27)21(36)17(26(15)42-12)28-25(40)23(38)19(34)14(7-30)44-28/h2-5,13-14,18-19,22-25,27-31,33-40H,6-7H2,1H3

InChI Key

GEFQDWALEWZTAR-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid 8-c-glycosides. Flavonoid 8-C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid 8-C-glycosides

Alternative Parents

Substituents

Flavonoid-8-c-glycoside
4p-methoxyflavonoid-skeleton
3'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Flavone
Hydroxyflavonoid
Phenolic glycoside
Hexose monosaccharide
C-glycosyl compound
Chromone
Glycosyl compound
Benzopyran
Methoxyphenol
1-benzopyran
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Pyranone
Phenol
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Pyran
Oxane
Monocyclic benzene moiety
Benzenoid
Monosaccharide
Heteroaromatic compound
Vinylogous acid
Secondary alcohol
Oxacycle
Ether
Dialkyl ether
Polyol
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen compound
Primary alcohol
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0037410)
Cytoplasm (HMDB: HMDB0037410)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037410)

Source

Exogenous

Food

Food (HMDB: HMDB0037410)

Fruit

Citrus

Lemon (FooDB: FOOD00054)
Citrus (FooDB: FOOD00859)

Endogenous

Plant

Plant (HMDB: HMDB0037410)

Not Available

Nutrient (HMDB: HMDB0037410)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	9.26 g/L	ALOGPS
logP	-0.94	ALOGPS
logP	-3	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	5.76	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	276.52 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	145.61 m³·mol⁻¹	ChemAxon
Polarizability	60.77 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]+	232.882	30932474
DeepCCS	[M-H]-	230.875	30932474
DeepCCS	[M-2H]-	264.115	30932474
DeepCCS	[M+Na]+	238.66	30932474
AllCCS	[M+H]+	238.3	32859911
AllCCS	[M+H-H2O]+	237.0	32859911
AllCCS	[M+NH4]+	239.4	32859911
AllCCS	[M+Na]+	239.8	32859911
AllCCS	[M-H]-	239.6	32859911
AllCCS	[M+Na-2H]-	242.3	32859911
AllCCS	[M+HCOO]-	245.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
6,8-Diglucosyldiosmetin	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O1	5643.8	Standard polar	33892256
6,8-Diglucosyldiosmetin	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O1	4976.6	Standard non polar	33892256
6,8-Diglucosyldiosmetin	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(C3OC(CO)C(O)C(O)C3O)=C2O1	5919.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
6,8-Diglucosyldiosmetin,1TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5781.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,1TMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5825.6	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,1TMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5800.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,1TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5772.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,1TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5769.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,1TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5816.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,1TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5822.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,1TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5796.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,1TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5765.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,1TMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5769.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,1TMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5816.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5663.6	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	5663.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5654.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5664.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5656.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5660.0	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5682.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5653.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5661.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5653.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5660.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5652.6	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5673.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #21	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5660.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #22	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5656.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #23	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5631.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #24	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5654.6	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #25	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5652.9	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #26	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5652.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #27	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5653.4	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #28	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5687.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #29	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5662.4	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5663.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #30	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5638.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #31	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5650.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #32	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5659.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #33	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5649.6	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #34	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5661.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #35	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5679.4	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #36	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5629.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #37	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5643.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #38	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5642.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #39	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5640.4	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5651.0	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #40	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5647.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #41	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5636.6	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #42	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5646.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #43	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5653.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #44	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5645.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #45	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5656.0	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #46	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5633.0	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #47	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5639.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #48	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5631.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #49	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5643.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5657.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #50	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5675.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #51	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5667.0	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #52	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5664.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #53	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5694.6	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #54	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5671.4	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #55	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	5687.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5644.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5653.0	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5666.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	5658.0	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5532.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5566.6	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #100	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5461.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #101	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5475.9	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #102	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5455.0	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #103	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5474.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #104	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5549.0	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #105	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5521.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #106	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5535.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #107	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5539.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #108	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5533.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #109	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	5539.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5538.9	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #110	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5595.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #111	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5514.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #112	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5531.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #113	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5540.4	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #114	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5529.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #115	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5548.4	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #116	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5508.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #117	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5527.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #118	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5537.9	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #119	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5525.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5559.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #120	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5544.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #121	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5477.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #122	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5487.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #123	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5471.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #124	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5497.9	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #125	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5544.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #126	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5524.9	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #127	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5534.6	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #128	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5548.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #129	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5543.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5497.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #130	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	5550.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #131	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5514.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #132	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5533.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #133	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5544.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #134	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5533.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #135	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5551.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #136	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5455.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #137	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5471.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #138	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5454.9	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #139	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5484.4	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5537.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #140	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5525.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #141	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5504.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #142	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5516.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #143	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5530.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #144	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5525.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #145	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	5534.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #146	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5477.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #147	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5495.9	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #148	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5482.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #149	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5503.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5540.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #150	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5540.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #151	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5519.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #152	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5530.0	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #153	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5548.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #154	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5543.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #155	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	5550.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #156	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5498.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #157	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5480.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #158	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5494.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #159	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5515.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	5522.9	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #160	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5512.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #161	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	5513.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #162	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5568.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #163	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5565.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #164	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	5557.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #165	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	5601.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	5543.4	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5569.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5567.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5543.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5523.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #21	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5539.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #22	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5544.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #23	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	5530.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #24	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	5554.0	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #25	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5569.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #26	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5508.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #27	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5516.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #28	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5524.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #29	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	5508.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5526.0	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #30	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	5532.9	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #31	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5529.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #32	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5538.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #33	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5546.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #34	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	5531.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #35	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	5554.9	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #36	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5499.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #37	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5525.4	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #38	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	5509.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #39	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	5532.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5550.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #40	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5568.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #41	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	5543.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #42	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	5565.4	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #43	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	5575.9	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #44	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	5571.0	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #45	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	5573.4	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #46	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5529.6	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #47	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5513.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #48	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5528.4	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #49	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5474.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5536.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #50	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5501.9	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #51	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5507.4	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #52	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5484.9	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #53	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5508.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #54	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5540.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #55	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5531.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #56	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5501.6	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #57	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5508.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #58	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5506.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #59	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5487.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5532.6	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #60	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5517.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #61	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5536.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #62	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5473.6	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #63	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5488.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #64	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5491.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #65	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5471.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #66	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5505.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #67	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5509.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #68	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5509.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #69	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5516.0	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C	5542.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #70	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5502.0	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #71	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5523.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #72	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5476.4	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #73	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5497.0	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #74	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5467.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #75	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5504.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #76	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5530.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #77	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5510.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #78	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5525.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #79	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5538.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C	5525.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #80	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5528.9	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #81	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O	5534.4	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #82	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5560.6	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #83	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5559.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #84	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5495.4	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #85	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5547.0	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #86	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5545.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #87	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5533.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #88	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5548.4	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #89	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5550.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C	5550.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #90	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5480.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #91	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5513.4	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #92	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5519.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #93	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5504.6	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #94	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5520.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #95	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5492.6	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #96	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5528.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #97	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O	5529.0	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #98	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O	5515.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,3TMS,isomer #99	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O	5530.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,1TBDMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5966.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,1TBDMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	6062.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,1TBDMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	6039.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,1TBDMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6000.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,1TBDMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5959.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,1TBDMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6049.0	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,1TBDMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6056.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,1TBDMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6036.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,1TBDMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	5993.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,1TBDMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	5959.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,1TBDMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	6051.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #1	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	6071.9	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #10	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	6074.6	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #11	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6053.6	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #12	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6072.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #13	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6088.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #14	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6082.6	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #15	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6088.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #16	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	6054.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #17	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	6071.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #18	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	6087.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #19	COC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	6084.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #2	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	6042.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #20	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6071.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #21	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6078.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #22	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6073.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #23	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6025.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #24	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	6043.6	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #25	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	6052.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #26	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	6060.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #27	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	6061.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #28	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6092.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #29	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6087.9	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #3	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	6061.6	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #30	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6042.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #31	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	6050.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #32	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	6063.4	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #33	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	6069.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #34	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	6081.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #35	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6102.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #36	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6060.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #37	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	6051.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #38	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	6062.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #39	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	6082.0	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #4	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	6068.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #40	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	6083.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #41	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O	6054.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #42	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	6056.0	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #43	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	6077.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #44	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	6084.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #45	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	6089.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #46	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O	6026.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #47	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	6043.6	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #48	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	6058.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #49	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	6056.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #5	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	6069.0	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #50	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O	6077.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #51	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	6089.2	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #52	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	6082.8	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #53	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O	6102.3	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #54	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	6096.5	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #55	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O	6110.4	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #6	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	6045.9	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #7	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	6045.7	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #8	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	6066.1	Semi standard non polar	33892256
6,8-Diglucosyldiosmetin,2TBDMS,isomer #9	COC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(CO)C(O)C(O)C4O)=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C	6076.5	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 - 6,8-Diglucosyldiosmetin GC-MS (Non-derivatized) - 70eV, Positive	splash10-06sl-1000191000-9f4b8e971e44bc14329f	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_1_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6,8-Diglucosyldiosmetin GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Diglucosyldiosmetin 10V, Positive-QTOF	splash10-056r-0000129000-71da5b4b30d82731f91b	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Diglucosyldiosmetin 20V, Positive-QTOF	splash10-0a4r-2400598000-408f8d2c568765f06e65	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Diglucosyldiosmetin 40V, Positive-QTOF	splash10-05n0-1004930000-b42bd1b35bdecc727d53	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Diglucosyldiosmetin 10V, Negative-QTOF	splash10-00di-0000249000-872762ac71dd43c73cf5	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Diglucosyldiosmetin 20V, Negative-QTOF	splash10-05gl-4000393000-a51adcfcb4a9efd554a8	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Diglucosyldiosmetin 40V, Negative-QTOF	splash10-067l-5203490000-1cdee408f2e64e4fc21d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Diglucosyldiosmetin 10V, Positive-QTOF	splash10-004i-0000009000-0c5c9127c9eb15141315	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Diglucosyldiosmetin 20V, Positive-QTOF	splash10-004i-0000009000-4c37cc547a920c1bf1b0	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Diglucosyldiosmetin 40V, Positive-QTOF	splash10-001i-0000193000-ec6566dae5abc7d7e997	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Diglucosyldiosmetin 10V, Negative-QTOF	splash10-00di-0000009000-c62c491827bb857e783d	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Diglucosyldiosmetin 20V, Negative-QTOF	splash10-0a4i-0000009000-3836f34154ab27d44d4f	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6,8-Diglucosyldiosmetin 40V, Negative-QTOF	splash10-05di-0330229000-21573539b8c3752a1077	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB016456

KNApSAcK ID

C00006284

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

74977720

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Enzymes

Enzyme Details

1. Sulfotransferase family cytosolic 2B member 1

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

Reactions

6,8-Diglucosyldiosmetin → ({6-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid	details
6,8-Diglucosyldiosmetin → ({6-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-6-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid	details
6,8-Diglucosyldiosmetin → {2-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid	details
6,8-Diglucosyldiosmetin → {2-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-8-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxidanesulfonic acid	details
6,8-Diglucosyldiosmetin → {6-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-8-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid	details
6,8-Diglucosyldiosmetin → {2-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid	details
6,8-Diglucosyldiosmetin → {2-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-6-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxidanesulfonic acid	details
6,8-Diglucosyldiosmetin → {6-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-6-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid	details

Enzyme Details

2. UDP-glucuronosyltransferase 1-1

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

Reactions

6,8-Diglucosyldiosmetin → 3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid	details
6,8-Diglucosyldiosmetin → 3,4,5-trihydroxy-6-{[7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl]oxy}oxane-2-carboxylic acid	details
6,8-Diglucosyldiosmetin → 6-(5-{5,7-dihydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	details

Enzyme Details

3. Sulfotransferase 1A3

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

Reactions

6,8-Diglucosyldiosmetin → (5-{5,7-dihydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}-2-methoxyphenyl)oxidanesulfonic acid	details

Showing metabocard for 6,8-Diglucosyldiosmetin (HMDB0037410)

MOL for HMDB0037410 (6,8-Diglucosyldiosmetin)

3D MOL for HMDB0037410 (6,8-Diglucosyldiosmetin)

3D SDF for HMDB0037410 (6,8-Diglucosyldiosmetin)

3D-SDF for HMDB0037410 (6,8-Diglucosyldiosmetin)

PDB for HMDB0037410 (6,8-Diglucosyldiosmetin)

3D PDB for HMDB0037410 (6,8-Diglucosyldiosmetin)

SMILES for HMDB0037410 (6,8-Diglucosyldiosmetin)

INCHI for HMDB0037410 (6,8-Diglucosyldiosmetin)

Structure for HMDB0037410 (6,8-Diglucosyldiosmetin)

3D Structure for HMDB0037410 (6,8-Diglucosyldiosmetin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

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