Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 01:39:55 UTC

Update Date

2022-03-07 02:56:28 UTC

HMDB ID

HMDB0040126

Secondary Accession Numbers

HMDB40126

Metabolite Identification

Common Name

Mulberroside F

Description

Mulberroside F belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. Mulberroside F has been detected, but not quantified in, fats and oils and herbs and spices. This could make mulberroside F a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Mulberroside F.

Structure

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


  Mrv0541 05061311382D          

 40 44  0  0  0  0            999 V2000
    1.3556    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659    0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5784    4.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6909    0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6909    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1659    3.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5784    2.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1659    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3409    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9284    2.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279   -0.5396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4034    4.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034    0.0940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424    0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4034    2.9519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424    2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5784    1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    3.1729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9284    1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034    2.9519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    1.1104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3409    3.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
 10  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  3  1  0  0  0  0
 12  6  2  0  0  0  0
 13  2  1  0  0  0  0
 13  7  2  0  0  0  0
 14  4  2  0  0  0  0
 14  6  1  0  0  0  0
 15  5  2  0  0  0  0
 15 11  1  0  0  0  0
 16  7  1  0  0  0  0
 16 10  2  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
 27  8  1  0  0  0  0
 28  9  1  0  0  0  0
 29 12  1  0  0  0  0
 30 19  1  0  0  0  0
 31 20  1  0  0  0  0
 32 21  1  0  0  0  0
 33 22  1  0  0  0  0
 34 23  1  0  0  0  0
 35 24  1  0  0  0  0
 36 13  1  0  0  0  0
 36 25  1  0  0  0  0
 37 14  1  0  0  0  0
 37 26  1  0  0  0  0
 38 15  1  0  0  0  0
 38 16  1  0  0  0  0
 39 17  1  0  0  0  0
 39 25  1  0  0  0  0
 40 18  1  0  0  0  0
 40 26  1  0  0  0  0
M  END

HMDB0040126
     RDKit          3D
Mulberroside F
 70 74  0  0  0  0  0  0  0  0999 V2000
   -9.5808    1.9562    0.9308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2268    1.7972    0.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1149    1.3305   -0.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7950    1.1648   -1.1055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2443   -0.0630   -0.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8708   -0.0527   -0.6645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1090   -0.2661    0.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6244   -0.5296    1.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8324   -0.7438    2.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4255   -1.0044    4.0531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4676   -0.6829    2.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8812   -0.4239    1.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4075   -0.3570    1.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142   -0.5291    2.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7837   -0.3859    1.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0599   -0.4497    2.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1741   -0.2610    1.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9614   -0.0065    0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0210    0.1918   -0.7313 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3818    0.1876   -0.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0009   -0.6875   -1.3347 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3370   -0.5442   -1.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0585   -1.8916   -1.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4291   -1.6249   -1.8452 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0988    0.2312   -0.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092   -0.5841    0.5455 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3779    1.4813   -0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0591    2.6488   -0.3482 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0038    1.5693   -0.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1694    1.8271   -2.0564 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    0.0543   -0.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5472   -0.1319    0.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2522   -0.1235    0.1922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7101   -0.2230    0.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8012   -1.1461   -1.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8866   -2.3153   -0.8956 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1997   -0.7562   -2.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1313   -0.0913   -3.2859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8862    0.0821   -1.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0196   -0.6356    0.1590 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0073    2.6501    0.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7352    2.7927    0.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8016    1.0718    1.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5451    2.1473   -1.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6806   -0.2738    0.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6919   -0.5881    1.8851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8696   -1.1587    4.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8258   -0.8446    3.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3372   -0.7377    3.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1922   -0.6549    3.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1822   -0.3196    1.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6021   -0.0383    0.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4898   -0.0425   -2.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7232   -2.4216   -2.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9296   -2.5007   -0.7325 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9346   -1.6822   -0.9877 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0416    0.5949   -1.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3578   -0.1871    0.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2829    1.4240    1.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458    3.3818    0.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4555    2.3710   -0.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5235    2.5434   -2.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5146    0.2576   -1.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2863   -0.0169   -0.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1627   -1.2377   -2.5165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9642   -2.6417   -0.6876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7763   -1.6930   -2.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3489    0.8831   -3.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9186    0.2750   -1.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6725   -1.3654    0.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 18 31  1  0
 31 32  2  0
 32 33  1  0
 12 34  2  0
  5 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39  3  1  0
 34  7  1  0
 33 13  1  0
 32 15  1  0
 29 20  1  0
  1 41  1  0
  2 42  1  0
  2 43  1  0
  3 44  1  0
  5 45  1  0
  8 46  1  0
 10 47  1  0
 11 48  1  0
 14 49  1  0
 16 50  1  0
 17 51  1  0
 20 52  1  0
 22 53  1  0
 23 54  1  0
 23 55  1  0
 24 56  1  0
 25 57  1  0
 26 58  1  0
 27 59  1  0
 28 60  1  0
 29 61  1  0
 30 62  1  0
 31 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 38 68  1  0
 39 69  1  0
 40 70  1  0
M  END


  Mrv0541 05061311382D          

 40 44  0  0  0  0            999 V2000
    1.3556    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659    0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5784    4.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6909    0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6909    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1659    3.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5784    2.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1659    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3409    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9284    2.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279   -0.5396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4034    4.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034    0.0940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424    0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4034    2.9519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424    2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5784    1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    3.1729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9284    1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034    2.9519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    1.1104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3409    3.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
 10  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  3  1  0  0  0  0
 12  6  2  0  0  0  0
 13  2  1  0  0  0  0
 13  7  2  0  0  0  0
 14  4  2  0  0  0  0
 14  6  1  0  0  0  0
 15  5  2  0  0  0  0
 15 11  1  0  0  0  0
 16  7  1  0  0  0  0
 16 10  2  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
 27  8  1  0  0  0  0
 28  9  1  0  0  0  0
 29 12  1  0  0  0  0
 30 19  1  0  0  0  0
 31 20  1  0  0  0  0
 32 21  1  0  0  0  0
 33 22  1  0  0  0  0
 34 23  1  0  0  0  0
 35 24  1  0  0  0  0
 36 13  1  0  0  0  0
 36 25  1  0  0  0  0
 37 14  1  0  0  0  0
 37 26  1  0  0  0  0
 38 15  1  0  0  0  0
 38 16  1  0  0  0  0
 39 17  1  0  0  0  0
 39 25  1  0  0  0  0
 40 18  1  0  0  0  0
 40 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0040126

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=CC3=C(C=C(O3)C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C26H30O14/c27-8-17-19(30)21(32)23(34)25(39-17)36-13-2-1-10-5-15(38-16(10)7-13)11-3-12(29)6-14(4-11)37-26-24(35)22(33)20(31)18(9-28)40-26/h1-7,17-35H,8-9H2

> <INCHI_KEY>
YPMOTUXWPXDQDJ-UHFFFAOYSA-N

> <FORMULA>
C26H30O14

> <MOLECULAR_WEIGHT>
566.508

> <EXACT_MASS>
566.163555668

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
55.9368189876308

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[2-(3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1-benzofuran-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-0.35

> <JCHEM_LOGP>
-1.747236449333333

> <ALOGPS_LOGS>
-2.42

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.900381109478053

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.985318391871237

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810923437306167

> <JCHEM_POLAR_SURFACE_AREA>
232.12999999999994

> <JCHEM_REFRACTIVITY>
130.14429999999993

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.17e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{[2-(3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1-benzofuran-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0040126
     RDKit          3D
Mulberroside F
 70 74  0  0  0  0  0  0  0  0999 V2000
   -9.5808    1.9562    0.9308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2268    1.7972    0.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1149    1.3305   -0.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7950    1.1648   -1.1055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2443   -0.0630   -0.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8708   -0.0527   -0.6645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1090   -0.2661    0.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6244   -0.5296    1.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8324   -0.7438    2.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4255   -1.0044    4.0531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4676   -0.6829    2.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8812   -0.4239    1.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4075   -0.3570    1.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142   -0.5291    2.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7837   -0.3859    1.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0599   -0.4497    2.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1741   -0.2610    1.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9614   -0.0065    0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0210    0.1918   -0.7313 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3818    0.1876   -0.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0009   -0.6875   -1.3347 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3370   -0.5442   -1.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0585   -1.8916   -1.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4291   -1.6249   -1.8452 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0988    0.2312   -0.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092   -0.5841    0.5455 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3779    1.4813   -0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0591    2.6488   -0.3482 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0038    1.5693   -0.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1694    1.8271   -2.0564 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    0.0543   -0.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5472   -0.1319    0.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2522   -0.1235    0.1922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7101   -0.2230    0.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8012   -1.1461   -1.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8866   -2.3153   -0.8956 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1997   -0.7562   -2.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1313   -0.0913   -3.2859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8862    0.0821   -1.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0196   -0.6356    0.1590 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0073    2.6501    0.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7352    2.7927    0.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8016    1.0718    1.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5451    2.1473   -1.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6806   -0.2738    0.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6919   -0.5881    1.8851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8696   -1.1587    4.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8258   -0.8446    3.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3372   -0.7377    3.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1922   -0.6549    3.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1822   -0.3196    1.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6021   -0.0383    0.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4898   -0.0425   -2.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7232   -2.4216   -2.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9296   -2.5007   -0.7325 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9346   -1.6822   -0.9877 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0416    0.5949   -1.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3578   -0.1871    0.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2829    1.4240    1.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458    3.3818    0.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4555    2.3710   -0.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5235    2.5434   -2.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5146    0.2576   -1.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2863   -0.0169   -0.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1627   -1.2377   -2.5165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9642   -2.6417   -0.6876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7763   -1.6930   -2.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3489    0.8831   -3.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9186    0.2750   -1.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6725   -1.3654    0.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 18 31  1  0
 31 32  2  0
 32 33  1  0
 12 34  2  0
  5 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39  3  1  0
 34  7  1  0
 33 13  1  0
 32 15  1  0
 29 20  1  0
  1 41  1  0
  2 42  1  0
  2 43  1  0
  3 44  1  0
  5 45  1  0
  8 46  1  0
 10 47  1  0
 11 48  1  0
 14 49  1  0
 16 50  1  0
 17 51  1  0
 20 52  1  0
 22 53  1  0
 23 54  1  0
 23 55  1  0
 24 56  1  0
 25 57  1  0
 26 58  1  0
 27 59  1  0
 28 60  1  0
 29 61  1  0
 30 62  1  0
 31 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 38 68  1  0
 39 69  1  0
 40 70  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       2.530   1.303   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.864   2.073   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.483   1.509   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.483   4.176   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.268   1.597   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.793   2.843   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.530   4.383   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.865  -0.237   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -10.413   8.177   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.197   2.073   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.713   2.843   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.023   1.509   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.864   3.613   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.023   4.176   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.173   2.843   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.197   3.613   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.865   1.303   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -9.643   6.844   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.199   2.073   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -10.413   5.510   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.199   3.613   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -9.643   4.176   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.865   4.383   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -8.103   4.176   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.531   3.613   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -7.333   5.510   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       9.199  -1.007   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0     -11.953   8.177   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -5.793   0.175   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      10.532   1.303   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0     -11.953   5.510   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      10.532   4.383   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0     -10.413   2.843   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       7.865   5.923   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -7.333   2.843   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       5.198   4.383   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -5.793   5.510   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -0.268   4.089   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       6.531   2.073   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -8.103   6.844   0.000  0.00  0.00           O+0
CONECT    1    2   10                                                       
CONECT    2    1   13                                                       
CONECT    3   11   12                                                       
CONECT    4   11   14                                                       
CONECT    5   10   15                                                       
CONECT    6   12   14                                                       
CONECT    7   13   16                                                       
CONECT    8   17   27                                                       
CONECT    9   18   28                                                       
CONECT   10    1    5   16                                                  
CONECT   11    3    4   15                                                  
CONECT   12    3    6   29                                                  
CONECT   13    2    7   36                                                  
CONECT   14    4    6   37                                                  
CONECT   15    5   11   38                                                  
CONECT   16    7   10   38                                                  
CONECT   17    8   19   39                                                  
CONECT   18    9   20   40                                                  
CONECT   19   17   21   30                                                  
CONECT   20   18   22   31                                                  
CONECT   21   19   23   32                                                  
CONECT   22   20   24   33                                                  
CONECT   23   21   25   34                                                  
CONECT   24   22   26   35                                                  
CONECT   25   23   36   39                                                  
CONECT   26   24   37   40                                                  
CONECT   27    8                                                            
CONECT   28    9                                                            
CONECT   29   12                                                            
CONECT   30   19                                                            
CONECT   31   20                                                            
CONECT   32   21                                                            
CONECT   33   22                                                            
CONECT   34   23                                                            
CONECT   35   24                                                            
CONECT   36   13   25                                                       
CONECT   37   14   26                                                       
CONECT   38   15   16                                                       
CONECT   39   17   25                                                       
CONECT   40   18   26                                                       
MASTER        0    0    0    0    0    0    0    0   40    0   88    0
END

COMPND    HMDB0040126
HETATM    1  O1  UNL     1      -9.581   1.956   0.931  1.00  0.00           O  
HETATM    2  C1  UNL     1      -8.227   1.797   0.643  1.00  0.00           C  
HETATM    3  C2  UNL     1      -8.115   1.331  -0.806  1.00  0.00           C  
HETATM    4  O2  UNL     1      -6.795   1.165  -1.106  1.00  0.00           O  
HETATM    5  C3  UNL     1      -6.244  -0.063  -0.713  1.00  0.00           C  
HETATM    6  O3  UNL     1      -4.871  -0.053  -0.665  1.00  0.00           O  
HETATM    7  C4  UNL     1      -4.109  -0.266   0.454  1.00  0.00           C  
HETATM    8  C5  UNL     1      -4.624  -0.530   1.700  1.00  0.00           C  
HETATM    9  C6  UNL     1      -3.832  -0.744   2.829  1.00  0.00           C  
HETATM   10  O4  UNL     1      -4.426  -1.004   4.053  1.00  0.00           O  
HETATM   11  C7  UNL     1      -2.468  -0.683   2.659  1.00  0.00           C  
HETATM   12  C8  UNL     1      -1.881  -0.424   1.443  1.00  0.00           C  
HETATM   13  C9  UNL     1      -0.407  -0.357   1.299  1.00  0.00           C  
HETATM   14  C10 UNL     1       0.514  -0.529   2.307  1.00  0.00           C  
HETATM   15  C11 UNL     1       1.784  -0.386   1.749  1.00  0.00           C  
HETATM   16  C12 UNL     1       3.060  -0.450   2.261  1.00  0.00           C  
HETATM   17  C13 UNL     1       4.174  -0.261   1.457  1.00  0.00           C  
HETATM   18  C14 UNL     1       3.961  -0.007   0.123  1.00  0.00           C  
HETATM   19  O5  UNL     1       5.021   0.192  -0.731  1.00  0.00           O  
HETATM   20  C15 UNL     1       6.382   0.188  -0.454  1.00  0.00           C  
HETATM   21  O6  UNL     1       7.001  -0.687  -1.335  1.00  0.00           O  
HETATM   22  C16 UNL     1       8.337  -0.544  -1.512  1.00  0.00           C  
HETATM   23  C17 UNL     1       9.059  -1.892  -1.664  1.00  0.00           C  
HETATM   24  O7  UNL     1      10.429  -1.625  -1.845  1.00  0.00           O  
HETATM   25  C18 UNL     1       9.099   0.231  -0.497  1.00  0.00           C  
HETATM   26  O8  UNL     1       9.509  -0.584   0.546  1.00  0.00           O  
HETATM   27  C19 UNL     1       8.378   1.481  -0.043  1.00  0.00           C  
HETATM   28  O9  UNL     1       9.059   2.649  -0.348  1.00  0.00           O  
HETATM   29  C20 UNL     1       7.004   1.569  -0.702  1.00  0.00           C  
HETATM   30  O10 UNL     1       7.169   1.827  -2.056  1.00  0.00           O  
HETATM   31  C21 UNL     1       2.650   0.054  -0.379  1.00  0.00           C  
HETATM   32  C22 UNL     1       1.547  -0.132   0.415  1.00  0.00           C  
HETATM   33  O11 UNL     1       0.252  -0.123   0.192  1.00  0.00           O  
HETATM   34  C23 UNL     1      -2.710  -0.223   0.375  1.00  0.00           C  
HETATM   35  C24 UNL     1      -6.801  -1.146  -1.638  1.00  0.00           C  
HETATM   36  O12 UNL     1      -6.887  -2.315  -0.896  1.00  0.00           O  
HETATM   37  C25 UNL     1      -8.200  -0.756  -2.089  1.00  0.00           C  
HETATM   38  O13 UNL     1      -8.131  -0.091  -3.286  1.00  0.00           O  
HETATM   39  C26 UNL     1      -8.886   0.082  -1.031  1.00  0.00           C  
HETATM   40  O14 UNL     1      -9.020  -0.636   0.159  1.00  0.00           O  
HETATM   41  H1  UNL     1     -10.007   2.650   0.367  1.00  0.00           H  
HETATM   42  H2  UNL     1      -7.735   2.793   0.700  1.00  0.00           H  
HETATM   43  H3  UNL     1      -7.802   1.072   1.339  1.00  0.00           H  
HETATM   44  H4  UNL     1      -8.545   2.147  -1.428  1.00  0.00           H  
HETATM   45  H5  UNL     1      -6.681  -0.274   0.271  1.00  0.00           H  
HETATM   46  H6  UNL     1      -5.692  -0.588   1.885  1.00  0.00           H  
HETATM   47  H7  UNL     1      -3.870  -1.159   4.862  1.00  0.00           H  
HETATM   48  H8  UNL     1      -1.826  -0.845   3.515  1.00  0.00           H  
HETATM   49  H9  UNL     1       0.337  -0.738   3.350  1.00  0.00           H  
HETATM   50  H10 UNL     1       3.192  -0.655   3.330  1.00  0.00           H  
HETATM   51  H11 UNL     1       5.182  -0.320   1.904  1.00  0.00           H  
HETATM   52  H12 UNL     1       6.602  -0.038   0.588  1.00  0.00           H  
HETATM   53  H13 UNL     1       8.490  -0.042  -2.512  1.00  0.00           H  
HETATM   54  H14 UNL     1       8.723  -2.422  -2.574  1.00  0.00           H  
HETATM   55  H15 UNL     1       8.930  -2.501  -0.733  1.00  0.00           H  
HETATM   56  H16 UNL     1      10.935  -1.682  -0.988  1.00  0.00           H  
HETATM   57  H17 UNL     1      10.042   0.595  -1.008  1.00  0.00           H  
HETATM   58  H18 UNL     1      10.358  -0.187   0.904  1.00  0.00           H  
HETATM   59  H19 UNL     1       8.283   1.424   1.062  1.00  0.00           H  
HETATM   60  H20 UNL     1       8.546   3.382   0.106  1.00  0.00           H  
HETATM   61  H21 UNL     1       6.455   2.371  -0.192  1.00  0.00           H  
HETATM   62  H22 UNL     1       6.524   2.543  -2.345  1.00  0.00           H  
HETATM   63  H23 UNL     1       2.515   0.258  -1.443  1.00  0.00           H  
HETATM   64  H24 UNL     1      -2.286  -0.017  -0.599  1.00  0.00           H  
HETATM   65  H25 UNL     1      -6.163  -1.238  -2.517  1.00  0.00           H  
HETATM   66  H26 UNL     1      -5.964  -2.642  -0.688  1.00  0.00           H  
HETATM   67  H27 UNL     1      -8.776  -1.693  -2.199  1.00  0.00           H  
HETATM   68  H28 UNL     1      -8.349   0.883  -3.216  1.00  0.00           H  
HETATM   69  H29 UNL     1      -9.919   0.275  -1.388  1.00  0.00           H  
HETATM   70  H30 UNL     1      -9.673  -1.365   0.065  1.00  0.00           H  
CONECT    1    2   41
CONECT    2    3   42   43
CONECT    3    4   39   44
CONECT    4    5
CONECT    5    6   35   45
CONECT    6    7
CONECT    7    8    8   34
CONECT    8    9   46
CONECT    9   10   11   11
CONECT   10   47
CONECT   11   12   48
CONECT   12   13   34   34
CONECT   13   14   14   33
CONECT   14   15   49
CONECT   15   16   16   32
CONECT   16   17   50
CONECT   17   18   18   51
CONECT   18   19   31
CONECT   19   20
CONECT   20   21   29   52
CONECT   21   22
CONECT   22   23   25   53
CONECT   23   24   54   55
CONECT   24   56
CONECT   25   26   27   57
CONECT   26   58
CONECT   27   28   29   59
CONECT   28   60
CONECT   29   30   61
CONECT   30   62
CONECT   31   32   32   63
CONECT   32   33
CONECT   34   64
CONECT   35   36   37   65
CONECT   36   66
CONECT   37   38   39   67
CONECT   38   68
CONECT   39   40   69
CONECT   40   70
END

HMDB0040126
     RDKit          3D
Mulberroside F
 70 74  0  0  0  0  0  0  0  0999 V2000
   -9.5808    1.9562    0.9308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2268    1.7972    0.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1149    1.3305   -0.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7950    1.1648   -1.1055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2443   -0.0630   -0.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8708   -0.0527   -0.6645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1090   -0.2661    0.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6244   -0.5296    1.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8324   -0.7438    2.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4255   -1.0044    4.0531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4676   -0.6829    2.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8812   -0.4239    1.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4075   -0.3570    1.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142   -0.5291    2.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7837   -0.3859    1.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0599   -0.4497    2.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1741   -0.2610    1.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9614   -0.0065    0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0210    0.1918   -0.7313 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3818    0.1876   -0.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0009   -0.6875   -1.3347 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3370   -0.5442   -1.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0585   -1.8916   -1.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4291   -1.6249   -1.8452 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0988    0.2312   -0.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092   -0.5841    0.5455 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3779    1.4813   -0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0591    2.6488   -0.3482 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0038    1.5693   -0.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1694    1.8271   -2.0564 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    0.0543   -0.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5472   -0.1319    0.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2522   -0.1235    0.1922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7101   -0.2230    0.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8012   -1.1461   -1.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8866   -2.3153   -0.8956 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1997   -0.7562   -2.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1313   -0.0913   -3.2859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8862    0.0821   -1.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0196   -0.6356    0.1590 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0073    2.6501    0.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7352    2.7927    0.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8016    1.0718    1.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5451    2.1473   -1.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6806   -0.2738    0.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6919   -0.5881    1.8851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8696   -1.1587    4.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8258   -0.8446    3.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3372   -0.7377    3.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1922   -0.6549    3.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1822   -0.3196    1.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6021   -0.0383    0.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4898   -0.0425   -2.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7232   -2.4216   -2.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9296   -2.5007   -0.7325 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9346   -1.6822   -0.9877 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0416    0.5949   -1.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3578   -0.1871    0.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2829    1.4240    1.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458    3.3818    0.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4555    2.3710   -0.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5235    2.5434   -2.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5146    0.2576   -1.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2863   -0.0169   -0.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1627   -1.2377   -2.5165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9642   -2.6417   -0.6876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7763   -1.6930   -2.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3489    0.8831   -3.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9186    0.2750   -1.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6725   -1.3654    0.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 18 31  1  0
 31 32  2  0
 32 33  1  0
 12 34  2  0
  5 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39  3  1  0
 34  7  1  0
 33 13  1  0
 32 15  1  0
 29 20  1  0
  1 41  1  0
  2 42  1  0
  2 43  1  0
  3 44  1  0
  5 45  1  0
  8 46  1  0
 10 47  1  0
 11 48  1  0
 14 49  1  0
 16 50  1  0
 17 51  1  0
 20 52  1  0
 22 53  1  0
 23 54  1  0
 23 55  1  0
 24 56  1  0
 25 57  1  0
 26 58  1  0
 27 59  1  0
 28 60  1  0
 29 61  1  0
 30 62  1  0
 31 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 38 68  1  0
 39 69  1  0
 40 70  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₆H₃₀O₁₄

Average Molecular Weight

566.508

Monoisotopic Molecular Weight

566.163555668

IUPAC Name

2-{[2-(3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1-benzofuran-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

2-{[2-(3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1-benzofuran-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

Not Available

SMILES

OCC1OC(OC2=CC3=C(C=C(O3)C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C26H30O14/c27-8-17-19(30)21(32)23(34)25(39-17)36-13-2-1-10-5-15(38-16(10)7-13)11-3-12(29)6-14(4-11)37-26-24(35)22(33)20(31)18(9-28)40-26/h1-7,17-35H,8-9H2

InChI Key

YPMOTUXWPXDQDJ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

2-arylbenzofuran flavonoids

Sub Class

Not Available

Direct Parent

2-arylbenzofuran flavonoids

Alternative Parents

Substituents

2-arylbenzofuran flavonoid
2-phenylbenzofuran
Phenylbenzofuran
Phenolic glycoside
Glycosyl compound
O-glycosyl compound
Benzofuran
Phenoxy compound
Phenol ether
Phenol
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Monocyclic benzene moiety
Monosaccharide
Oxane
Benzenoid
Furan
Heteroaromatic compound
Secondary alcohol
Organoheterocyclic compound
Acetal
Oxacycle
Polyol
Alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Primary 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: HMDB0040126)
Cytoplasm (HMDB: HMDB0040126)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0040126)

Source

Exogenous

Food

Food (HMDB: HMDB0040126)

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Fat and oil

Fats and oils (FooDB: FOOD00864)

Endogenous

Plant

Plant (HMDB: HMDB0040126)

Not Available

Nutrient (HMDB: HMDB0040126)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	231 - 234 °C	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	2.17 g/L	ALOGPS
logP	-0.35	ALOGPS
logP	-1.7	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	8.99	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	232.13 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	130.14 m³·mol⁻¹	ChemAxon
Polarizability	55.94 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
DarkChem	[M+H]+	227.152	31661259
DarkChem	[M-H]-	226.203	31661259
DeepCCS	[M+H]+	222.529	30932474
DeepCCS	[M-H]-	220.133	30932474
DeepCCS	[M-2H]-	253.018	30932474
DeepCCS	[M+Na]+	228.441	30932474
AllCCS	[M+H]+	225.6	32859911
AllCCS	[M+H-H2O]+	224.3	32859911
AllCCS	[M+NH4]+	226.9	32859911
AllCCS	[M+Na]+	227.2	32859911
AllCCS	[M-H]-	217.7	32859911
AllCCS	[M+Na-2H]-	219.5	32859911
AllCCS	[M+HCOO]-	221.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Mulberroside F	OCC1OC(OC2=CC3=C(C=C(O3)C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C=C2)C(O)C(O)C1O	5434.6	Standard polar	33892256
Mulberroside F	OCC1OC(OC2=CC3=C(C=C(O3)C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C=C2)C(O)C(O)C1O	5187.6	Standard non polar	33892256
Mulberroside F	OCC1OC(OC2=CC3=C(C=C(O3)C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C=C2)C(O)C(O)C1O	5401.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Mulberroside F,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)C(O)C(O)C1O	5237.6	Semi standard non polar	33892256
Mulberroside F,1TMS,isomer #2	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=C1	5288.9	Semi standard non polar	33892256
Mulberroside F,1TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O)C(O)C1O	5237.6	Semi standard non polar	33892256
Mulberroside F,1TMS,isomer #4	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O)C1O	5265.1	Semi standard non polar	33892256
Mulberroside F,1TMS,isomer #5	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C1O	5256.8	Semi standard non polar	33892256
Mulberroside F,1TMS,isomer #6	C[Si](C)(C)OC1C(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)OC(CO)C(O)C1O	5270.3	Semi standard non polar	33892256
Mulberroside F,1TMS,isomer #7	C[Si](C)(C)OC1C(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)OC(CO)C(O)C1O	5270.1	Semi standard non polar	33892256
Mulberroside F,1TMS,isomer #8	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)C1O	5257.1	Semi standard non polar	33892256
Mulberroside F,1TMS,isomer #9	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)C(O)C1O	5265.1	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	5161.0	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #10	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=C1	5175.4	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #11	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=C1	5150.2	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #12	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=C1	5175.6	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #13	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=C1	5175.5	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #14	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=C1	5148.8	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #15	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=C1	5176.0	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)=C2)C(O)C(O)C1O	5133.8	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O)C(O)C1O	5126.5	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C(O)C1O	5150.2	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O[Si](C)(C)C)C(O)C1O	5165.6	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O)C=C4O3)=C2)C(O)C(O)C1O	5136.9	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O)C(O[Si](C)(C)C)C1O	5146.9	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O)C(O)C1O[Si](C)(C)C	5147.6	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #22	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)=C2)C(O)C1O	5138.0	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #23	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O)C1O	5120.5	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #24	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C1O	5154.2	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #25	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O[Si](C)(C)C)C1O	5151.0	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #26	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O)C1O[Si](C)(C)C	5140.7	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #27	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)=C4)OC3=C2)C(O)C1O	5121.1	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #28	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C1O	5101.4	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #29	C[Si](C)(C)OC1C(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)=C4)OC3=C2)OC(CO)C(O)C1O	5137.0	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)=C4)OC3=C2)C(O)C(O)C1O	5133.9	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #30	C[Si](C)(C)OC1C(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)OC(CO)C(O)C1O[Si](C)(C)C	5166.2	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #31	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)=C4)OC3=C2)C(O)C1O	5152.9	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #32	C[Si](C)(C)OC1C(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)OC(CO)C(O)C1O	5134.3	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #33	C[Si](C)(C)OC1C(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)OC(CO)C(O)C1O	5178.6	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #34	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)C(O[Si](C)(C)C)C1O	5151.4	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #35	C[Si](C)(C)OC1C(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)OC(CO)C(O)C1O[Si](C)(C)C	5165.9	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #36	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)C(O)C1O[Si](C)(C)C	5139.5	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)=C4)OC3=C2)C(O)C(O)C1O	5128.9	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	5149.1	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	5168.2	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	5144.6	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	5148.2	Semi standard non polar	33892256
Mulberroside F,2TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O)C(O)C1O	5160.6	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O)C=C4O3)=C2)C(O)C(O)C1O	5009.9	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C(O)C1O	5008.3	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	5007.9	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O)=C4)OC3=C2)C(O)C(O)C1O	4973.1	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)=C4)OC3=C2)C(O)C(O)C1O	4982.3	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)=C4)OC3=C2)C(O)C(O)C1O	4982.4	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	5002.9	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	5027.9	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4986.7	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	5003.5	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	5015.8	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	5021.4	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	5007.1	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4968.7	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4985.3	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	5052.1	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	5003.2	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	5023.4	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5016.2	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5050.3	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4988.4	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)=C2)C(O)C(O)C1O	5021.2	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	5000.2	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O)C(O)C1O	4996.6	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C(O)C1O	5034.9	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O[Si](C)(C)C)C(O)C1O	5049.6	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O)C(O[Si](C)(C)C)C1O	5015.3	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O)C(O)C1O[Si](C)(C)C	5030.6	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #35	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=C1	5024.4	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #36	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=C1	5048.5	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #37	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=C1	5042.1	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #38	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=C1	5015.9	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #39	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=C1	5054.9	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	5032.6	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #40	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=C1	5061.2	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #41	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=C1	5016.9	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #42	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=C1	4988.6	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #43	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=C1	5023.2	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #44	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(C2=CC3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=C1	5053.4	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #45	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=C1	5021.6	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #46	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=C1	5071.3	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #47	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=C1	5021.8	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #48	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=C1	5047.9	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #49	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=C1	5059.8	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	5050.9	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #50	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O)C(O)C1O	4980.1	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #51	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C(O)C1O	5002.9	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #52	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)=C2)C(O[Si](C)(C)C)C(O)C1O	5026.4	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #53	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)=C2)C(O)C(O[Si](C)(C)C)C1O	4987.4	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #54	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)=C2)C(O)C(O)C1O[Si](C)(C)C	5003.3	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #55	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C(O)C1O	5013.0	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #56	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O[Si](C)(C)C)C(O)C1O	5005.3	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #57	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O)C(O[Si](C)(C)C)C1O	4968.7	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #58	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O)C(O)C1O[Si](C)(C)C	4984.9	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #59	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O[Si](C)(C)C)C(O)C1O	5052.1	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	5012.9	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #60	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C(O[Si](C)(C)C)C1O	5005.9	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #61	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C(O)C1O[Si](C)(C)C	5024.5	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #62	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5017.6	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #63	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5047.9	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #64	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4989.6	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #65	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O)C1O	4997.7	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #66	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C1O	5026.4	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #67	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)=C4)OC3=C2)C(O)C1O	5026.8	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #68	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)=C4)OC3=C2)C(O)C1O	4998.7	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #69	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C1O	5037.1	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	5029.9	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #70	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O[Si](C)(C)C)C1O	5006.8	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #71	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)=C4)OC3=C2)C1O	4978.0	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #72	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O[Si](C)(C)C)C1O	5045.3	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #73	C[Si](C)(C)OC1C(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)=C4)OC3=C2)OC(CO)C(O)C1O	5015.0	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #74	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5059.6	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #75	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)=C4)OC3=C2)C(O)C1O	5038.3	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #76	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)=C4)OC3=C2)C(O[Si](C)(C)C)C1O	5007.4	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #77	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C1O	4978.7	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #78	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)=C2)C1O	5016.4	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #79	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)=C4)OC3=C2)C1O	5017.3	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)=C2)C(O)C(O)C1O	4981.5	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #80	C[Si](C)(C)OC1C(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)=C4)OC3=C2)OC(CO)C(O)C1O	5055.0	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #81	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C1O	5044.5	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #82	C[Si](C)(C)OC1C(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)OC(CO)C(O)C1O	5012.5	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #83	C[Si](C)(C)OC1C(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)=C2)OC(CO)C(O)C1O	5053.4	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #84	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5058.9	Semi standard non polar	33892256
Mulberroside F,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O)C(O)C1O	4970.4	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)=C2)C(O)C(O)C1O	4895.6	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4897.3	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #100	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4956.9	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #101	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4899.0	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #102	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)=C2)C(O[Si](C)(C)C)C(O)C1O	4940.2	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #103	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C(O[Si](C)(C)C)C1O	4888.6	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #104	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C(O)C1O[Si](C)(C)C	4915.4	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #105	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4890.5	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #106	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4922.1	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #107	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4867.7	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #108	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4939.2	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #109	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4978.8	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4919.8	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #110	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4913.8	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #111	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4980.6	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #112	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C1O	4941.3	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #113	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O[Si](C)(C)C)C1O	4908.4	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #114	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O)C1O[Si](C)(C)C	4886.3	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #115	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O[Si](C)(C)C)C1O	4934.2	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #116	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)=C4)OC3=C2)C(O[Si](C)(C)C)C1O	4909.6	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #117	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)=C4)OC3=C2)C(O)C1O	4940.3	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #118	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)=C2)C(O[Si](C)(C)C)C1O	4934.9	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #119	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C1O[Si](C)(C)C	4910.1	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4921.8	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #120	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)=C4)OC3=C2)C1O	4910.2	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #121	C[Si](C)(C)OC1C(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)=C4)OC3=C2)OC(CO)C(O)C1O	4957.2	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #122	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C1O	4934.3	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #123	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)=C4)OC3=C2)C(O)C1O[Si](C)(C)C	4908.5	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #124	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)=C2)C1O	4911.4	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #125	C[Si](C)(C)OC1C(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)=C2)OC(CO)C(O)C1O[Si](C)(C)C	4930.9	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #126	C[Si](C)(C)OC1C(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)=C2)OC(CO)C(O)C1O	4955.1	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4905.8	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4857.9	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4884.8	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4962.6	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4904.7	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4935.7	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4939.6	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O)C(O)C1O	4874.2	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4967.6	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4916.9	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O)C(O)C1O	4880.1	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C(O)C1O	4942.5	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)=C2)C(O[Si](C)(C)C)C(O)C1O	4926.7	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)=C2)C(O)C(O[Si](C)(C)C)C1O	4865.8	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)=C2)C(O)C(O)C1O[Si](C)(C)C	4894.6	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C(O)C1O	4906.3	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O[Si](C)(C)C)C(O)C1O	4890.7	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O)C(O[Si](C)(C)C)C1O	4838.5	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C(O)C1O	4926.3	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4867.7	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O[Si](C)(C)C)C(O)C1O	4962.1	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4894.0	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4928.2	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4943.3	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4906.3	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)=C4)OC3=C2)C(O)C(O)C1O	4880.3	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4918.8	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4919.4	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #39	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4863.3	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4922.0	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4889.9	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4946.8	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4887.6	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #43	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4913.5	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #44	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4924.7	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #45	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4958.2	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #46	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4897.6	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #47	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4940.9	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #48	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4886.2	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #49	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4912.0	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4876.8	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #50	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4892.0	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #51	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4924.3	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #52	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4868.4	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #53	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4938.4	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #54	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4977.2	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #55	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4912.4	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #56	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4983.9	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #57	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O)C(O)C1O	4903.9	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #58	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C(O)C1O	4923.7	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #59	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)=C2)C(O[Si](C)(C)C)C(O)C1O	4945.5	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4898.1	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #60	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)=C2)C(O)C(O[Si](C)(C)C)C1O	4896.4	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #61	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)=C2)C(O)C(O)C1O[Si](C)(C)C	4920.1	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #62	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C(O)C1O	4922.0	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #63	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O[Si](C)(C)C)C(O)C1O	4903.4	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #64	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O)C(O[Si](C)(C)C)C1O	4856.5	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #65	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O)C(O)C1O[Si](C)(C)C	4884.8	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #66	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O[Si](C)(C)C)C(O)C1O	4963.2	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #67	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C(O[Si](C)(C)C)C1O	4906.8	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #68	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C(O)C1O[Si](C)(C)C	4938.2	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #69	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4939.3	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4905.0	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #70	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4966.9	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #71	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4917.9	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #72	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=C1	4963.2	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #73	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=C1	4924.9	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #74	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=C1	4886.1	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #75	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=C1	4934.7	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #76	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(C2=CC3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=C1	4944.8	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #77	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=C1	4909.4	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #78	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=C1	4957.8	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #79	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=C1	4924.7	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4922.1	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #80	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=C1	4946.3	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #81	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=C1	4946.2	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #82	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(C2=CC3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=C1	4944.9	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #83	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=C1	4907.8	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #84	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=C1	4954.5	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #85	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=C1	4885.1	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #86	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=C1	4911.1	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #87	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=C1	4910.2	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #88	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(C2=CC3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=C1	4932.2	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #89	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(C2=CC3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=C1	4956.3	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)=CC(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4946.7	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #90	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=C1	4953.9	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #91	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=C1	4963.5	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #92	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C(O)C1O	4920.3	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #93	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O[Si](C)(C)C)C(O)C1O	4917.3	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #94	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O)C(O[Si](C)(C)C)C1O	4864.2	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #95	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)=C2)C(O)C(O)C1O[Si](C)(C)C	4892.7	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #96	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O[Si](C)(C)C)C(O)C1O	4945.3	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #97	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C(O[Si](C)(C)C)C1O	4888.8	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #98	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4O3)=C2)C(O)C(O)C1O[Si](C)(C)C	4916.7	Semi standard non polar	33892256
Mulberroside F,4TMS,isomer #99	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4924.0	Semi standard non polar	33892256
Mulberroside F,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)C(O)C(O)C1O	5473.9	Semi standard non polar	33892256
Mulberroside F,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=C1	5520.3	Semi standard non polar	33892256
Mulberroside F,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O)C(O)C1O	5474.1	Semi standard non polar	33892256
Mulberroside F,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O)C1O	5528.7	Semi standard non polar	33892256
Mulberroside F,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C1O	5533.2	Semi standard non polar	33892256
Mulberroside F,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)OC(CO)C(O)C1O	5537.1	Semi standard non polar	33892256
Mulberroside F,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)OC(CO)C(O)C1O	5536.4	Semi standard non polar	33892256
Mulberroside F,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)C1O	5532.5	Semi standard non polar	33892256
Mulberroside F,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)C(O)C1O	5528.0	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	5604.6	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=C1	5633.4	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=C1	5631.5	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=C1	5630.4	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=C1	5632.7	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=C1	5629.7	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(C2=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=C1	5628.6	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C=C4O3)=C2)C(O)C(O)C1O	5577.5	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C=C4O3)=C2)C(O)C(O)C1O	5580.6	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C=C4O3)=C2)C(O)C(O)C1O	5588.1	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5606.9	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C5O)C=C4O3)=C2)C(O)C(O)C1O	5568.0	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5610.5	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5583.9	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C=C4O3)=C2)C(O)C1O	5587.6	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C=C4O3)=C2)C(O)C1O	5585.8	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C=C4O3)=C2)C(O)C1O	5600.1	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O[Si](C)(C)C(C)(C)C)C1O	5621.9	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O)C1O[Si](C)(C)C(C)(C)C	5610.6	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)=C4)OC3=C2)C(O)C1O	5586.8	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C=C4O3)=C2)C1O	5580.1	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)=C4)OC3=C2)OC(CO)C(O)C1O	5589.5	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)=C4)OC3=C2)C(O)C(O)C1O	5578.2	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	5632.3	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C1O	5601.1	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C=C4O3)=C2)OC(CO)C(O)C1O	5589.5	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C=C4O3)=C2)OC(CO)C(O)C1O	5610.5	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C1O	5620.4	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	5631.2	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)C(O)C1O[Si](C)(C)C(C)(C)C	5609.0	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)=C4)OC3=C2)C(O)C(O)C1O	5582.0	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	5590.1	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5605.3	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5609.6	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3C=C(C4=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5583.1	Semi standard non polar	33892256
Mulberroside F,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=CC(C3=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)=C2)C(O)C(O)C1O	5604.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (Non-derivatized) - 70eV, Positive	splash10-0kbb-2400690000-7db0c864a6817dd9e9b7	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (1 TMS) - 70eV, Positive	splash10-00di-5720219000-059378da360a2f0a6cc3	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS ("Mulberroside F,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mulberroside F GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mulberroside F 10V, Positive-QTOF	splash10-052r-0009760000-7694dc8d874f6c872139	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mulberroside F 20V, Positive-QTOF	splash10-052u-0169300000-8ebc6d390bcdedd98e55	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mulberroside F 40V, Positive-QTOF	splash10-000f-4898320000-b7f2d74de27ed04bdbaa	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mulberroside F 10V, Negative-QTOF	splash10-0uy0-0213790000-3a12e090e99c79adf105	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mulberroside F 20V, Negative-QTOF	splash10-0udr-1239830000-0833f52f5c37ceb15831	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mulberroside F 40V, Negative-QTOF	splash10-000x-3292200000-c24b424dfb4ed04fa3fa	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mulberroside F 10V, Negative-QTOF	splash10-014i-0230390000-6a27af30013eabbb2654	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mulberroside F 20V, Negative-QTOF	splash10-0f6x-3083930000-cdb356132dc94b5446f0	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mulberroside F 40V, Negative-QTOF	splash10-0006-1091210000-604a986a3b0fd8a7fb66	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mulberroside F 10V, Positive-QTOF	splash10-0a4u-0265950000-3ea0c816c3bb3da0d6be	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mulberroside F 20V, Positive-QTOF	splash10-052n-0352940000-4914b37fef96f4557c0f	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mulberroside F 40V, Positive-QTOF	splash10-0a4i-9401300000-ae02f5678d380e3e4881	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)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	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

FDB019819

KNApSAcK ID

C00057204

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

72683289

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.. .

Showing metabocard for Mulberroside F (HMDB0040126)

MOL for HMDB0040126 (Mulberroside F)

3D MOL for HMDB0040126 (Mulberroside F)

3D SDF for HMDB0040126 (Mulberroside F)

3D-SDF for HMDB0040126 (Mulberroside F)

PDB for HMDB0040126 (Mulberroside F)

3D PDB for HMDB0040126 (Mulberroside F)

SMILES for HMDB0040126 (Mulberroside F)

INCHI for HMDB0040126 (Mulberroside F)

Structure for HMDB0040126 (Mulberroside F)

3D Structure for HMDB0040126 (Mulberroside F)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra