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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:44:12 UTC

Update Date

2022-03-07 02:56:09 UTC

HMDB ID

HMDB0039321

Secondary Accession Numbers

HMDB39321

Metabolite Identification

Common Name

Kaempferol 3-rhamnoside 4'-xyloside

Description

Kaempferol 3-rhamnoside 4'-xyloside belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Kaempferol 3-rhamnoside 4'-xyloside has been detected, but not quantified in, herbs and spices. This could make kaempferol 3-rhamnoside 4'-xyloside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Kaempferol 3-rhamnoside 4'-xyloside.

Structure

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

  Mrv0541 05061311002D          

 40 44  0  0  0  0            999 V2000
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  2  0  0  0  0
 10  3  1  0  0  0  0
 11  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  2  0  0  0  0
 16 13  2  0  0  0  0
 16 15  1  0  0  0  0
 17  9  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 10  1  0  0  0  0
 24 19  1  0  0  0  0
 24 23  2  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 27 11  1  0  0  0  0
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 30 17  1  0  0  0  0
 31 18  1  0  0  0  0
 32 19  2  0  0  0  0
 33 20  1  0  0  0  0
 34 21  1  0  0  0  0
 35 22  1  0  0  0  0
 36  8  1  0  0  0  0
 36 25  1  0  0  0  0
 37  9  1  0  0  0  0
 37 26  1  0  0  0  0
 38 12  1  0  0  0  0
 38 25  1  0  0  0  0
 39 15  1  0  0  0  0
 39 23  1  0  0  0  0
 40 24  1  0  0  0  0
 40 26  1  0  0  0  0
M  END

HMDB0039321
     RDKit          3D
Kaempferol 3-rhamnoside 4'-xyloside
 68 72  0  0  0  0  0  0  0  0999 V2000
   -6.0338   -2.4313   -1.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0978   -1.8156   -0.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3438   -0.8158   -0.9177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9591   -0.9393   -0.8951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6005   -0.3131    0.3571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3130    1.0061    0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1005    1.5711    0.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1170    0.7996    0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    1.4807   -0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4949    0.8815   -0.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6636   -0.4494   -0.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8627   -1.0858   -0.2569 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0952   -0.5829   -0.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5935   -1.2720   -1.7751 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8826   -0.8888   -2.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8717   -1.3649   -1.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8345   -0.4506   -0.7775 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0929   -1.7510    0.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0194   -1.8701    1.2048 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653   -0.6927    0.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4111   -1.0123    1.6582 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5237   -1.1480    0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2900   -0.5262    0.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9643    2.9207    0.4333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9743    3.7193    0.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8100    5.1053    0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9023    5.9274    0.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7219    7.3003    0.9146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1824    5.4343    0.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3322    4.0660    0.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6009    3.5280    0.9473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2340    3.2087    0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4212    1.8523    0.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5818    1.4048    0.6957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4754   -2.3245   -0.9184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7883   -2.9621   -2.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0495   -3.1821    0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2631   -3.1248    1.3235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4740   -2.8524    0.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5821   -2.5377    1.8050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7551   -1.6477   -1.7889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6316   -3.2183   -0.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5115   -2.9040   -2.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8587   -1.3014    0.2539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5304   -0.2830   -1.6881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1748    2.5250   -0.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3358    1.4911   -0.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9872    0.4891   -1.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174   -1.2310   -3.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9138    0.2149   -2.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3386   -2.2867   -1.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6150    0.1938   -0.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5976   -2.7212   -0.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2032   -2.8296    1.3678 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5809    0.2974    0.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8748   -1.8148    1.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6339   -2.1861    0.5141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5683   -1.0665    0.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8159    5.5214    0.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5707    7.6993    1.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0574    6.0607    1.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4085    4.1215    1.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3746   -2.4343   -0.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3350   -2.4751   -2.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9412   -4.2443   -0.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6634   -2.5902    2.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0733   -3.8148    0.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5553   -3.3776    2.3313 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  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
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 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
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 16 18  1  0
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 18 20  1  0
 20 21  1  0
 11 22  1  0
 22 23  2  0
  7 24  1  0
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 29 30  1  0
 30 31  1  0
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 32 33  1  0
 33 34  2  0
  4 35  1  0
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 32 25  1  0
 20 13  1  0
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 31 62  1  0
 35 63  1  0
 36 64  1  0
 37 65  1  0
 38 66  1  0
 39 67  1  0
 40 68  1  0
M  END

  Mrv0541 05061311002D          

 40 44  0  0  0  0            999 V2000
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  2  0  0  0  0
 10  3  1  0  0  0  0
 11  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  2  0  0  0  0
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 17  9  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 10  1  0  0  0  0
 24 19  1  0  0  0  0
 24 23  2  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 27 11  1  0  0  0  0
 28 13  1  0  0  0  0
 29 14  1  0  0  0  0
 30 17  1  0  0  0  0
 31 18  1  0  0  0  0
 32 19  2  0  0  0  0
 33 20  1  0  0  0  0
 34 21  1  0  0  0  0
 35 22  1  0  0  0  0
 36  8  1  0  0  0  0
 36 25  1  0  0  0  0
 37  9  1  0  0  0  0
 37 26  1  0  0  0  0
 38 12  1  0  0  0  0
 38 25  1  0  0  0  0
 39 15  1  0  0  0  0
 39 23  1  0  0  0  0
 40 24  1  0  0  0  0
 40 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039321

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(OC3OCC(O)C(O)C3O)C=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C26H28O14/c1-9-17(30)20(33)22(35)26(37-9)40-24-19(32)16-13(28)6-11(27)7-15(16)39-23(24)10-2-4-12(5-3-10)38-25-21(34)18(31)14(29)8-36-25/h2-7,9,14,17-18,20-22,25-31,33-35H,8H2,1H3

> <INCHI_KEY>
JNCDGNJMRRVEGE-UHFFFAOYSA-N

> <FORMULA>
C26H28O14

> <MOLECULAR_WEIGHT>
564.4921

> <EXACT_MASS>
564.147905604

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
54.82958766931665

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-{4-[(3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}-4H-chromen-4-one

> <ALOGPS_LOGP>
0.11

> <JCHEM_LOGP>
-0.4320931589999991

> <ALOGPS_LOGS>
-2.49

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.107408214316868

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.437297912394783

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5265985036382217

> <JCHEM_POLAR_SURFACE_AREA>
225.05999999999992

> <JCHEM_REFRACTIVITY>
131.93279999999993

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.81e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-{4-[(3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0039321
     RDKit          3D
Kaempferol 3-rhamnoside 4'-xyloside
 68 72  0  0  0  0  0  0  0  0999 V2000
   -6.0338   -2.4313   -1.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0978   -1.8156   -0.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3438   -0.8158   -0.9177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9591   -0.9393   -0.8951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6005   -0.3131    0.3571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3130    1.0061    0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1005    1.5711    0.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1170    0.7996    0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    1.4807   -0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4949    0.8815   -0.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6636   -0.4494   -0.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8627   -1.0858   -0.2569 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0952   -0.5829   -0.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5935   -1.2720   -1.7751 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8826   -0.8888   -2.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8717   -1.3649   -1.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8345   -0.4506   -0.7775 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0929   -1.7510    0.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0194   -1.8701    1.2048 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653   -0.6927    0.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4111   -1.0123    1.6582 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5237   -1.1480    0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2900   -0.5262    0.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9643    2.9207    0.4333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9743    3.7193    0.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8100    5.1053    0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9023    5.9274    0.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7219    7.3003    0.9146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1824    5.4343    0.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3322    4.0660    0.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6009    3.5280    0.9473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2340    3.2087    0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4212    1.8523    0.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5818    1.4048    0.6957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4754   -2.3245   -0.9184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7883   -2.9621   -2.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0495   -3.1821    0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2631   -3.1248    1.3235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4740   -2.8524    0.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5821   -2.5377    1.8050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7551   -1.6477   -1.7889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6316   -3.2183   -0.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5115   -2.9040   -2.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8587   -1.3014    0.2539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5304   -0.2830   -1.6881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1748    2.5250   -0.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3358    1.4911   -0.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9872    0.4891   -1.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174   -1.2310   -3.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9138    0.2149   -2.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3386   -2.2867   -1.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6150    0.1938   -0.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5976   -2.7212   -0.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2032   -2.8296    1.3678 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5809    0.2974    0.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8748   -1.8148    1.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6339   -2.1861    0.5141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5683   -1.0665    0.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8159    5.5214    0.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5707    7.6993    1.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0574    6.0607    1.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4085    4.1215    1.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3746   -2.4343   -0.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3350   -2.4751   -2.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9412   -4.2443   -0.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6634   -2.5902    2.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0733   -3.8148    0.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5553   -3.3776    2.3313 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  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 11 22  1  0
 22 23  2  0
  7 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 32 33  1  0
 33 34  2  0
  4 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39  2  1  0
 33  6  1  0
 23  8  1  0
 32 25  1  0
 20 13  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  2 44  1  0
  4 45  1  0
  9 46  1  0
 10 47  1  0
 13 48  1  0
 15 49  1  0
 15 50  1  0
 16 51  1  0
 17 52  1  0
 18 53  1  0
 19 54  1  0
 20 55  1  0
 21 56  1  0
 22 57  1  0
 23 58  1  0
 26 59  1  0
 28 60  1  0
 29 61  1  0
 31 62  1  0
 35 63  1  0
 36 64  1  0
 37 65  1  0
 38 66  1  0
 39 67  1  0
 40 68  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       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.669   6.160   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.336   6.930   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.002   6.160   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       9.336   8.470   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       6.668   6.930   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       8.002  -4.620   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      10.669   4.620   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
CONECT    1    9                                                            
CONECT    2    4   10                                                       
CONECT    3    5   10                                                       
CONECT    4    2   12                                                       
CONECT    5    3   12                                                       
CONECT    6   11   13                                                       
CONECT    7   11   15                                                       
CONECT    8   14   36                                                       
CONECT    9    1   17   37                                                  
CONECT   10    2    3   23                                                  
CONECT   11    6    7   27                                                  
CONECT   12    4    5   38                                                  
CONECT   13    6   16   28                                                  
CONECT   14    8   18   29                                                  
CONECT   15    7   16   39                                                  
CONECT   16   13   15   19                                                  
CONECT   17    9   20   30                                                  
CONECT   18   14   21   31                                                  
CONECT   19   16   24   32                                                  
CONECT   20   17   22   33                                                  
CONECT   21   18   25   34                                                  
CONECT   22   20   26   35                                                  
CONECT   23   10   24   39                                                  
CONECT   24   19   23   40                                                  
CONECT   25   21   36   38                                                  
CONECT   26   22   37   40                                                  
CONECT   27   11                                                            
CONECT   28   13                                                            
CONECT   29   14                                                            
CONECT   30   17                                                            
CONECT   31   18                                                            
CONECT   32   19                                                            
CONECT   33   20                                                            
CONECT   34   21                                                            
CONECT   35   22                                                            
CONECT   36    8   25                                                       
CONECT   37    9   26                                                       
CONECT   38   12   25                                                       
CONECT   39   15   23                                                       
CONECT   40   24   26                                                       
MASTER        0    0    0    0    0    0    0    0   40    0   88    0
END

COMPND    HMDB0039321
HETATM    1  C1  UNL     1      -6.034  -2.431  -1.488  1.00  0.00           C  
HETATM    2  C2  UNL     1      -5.098  -1.816  -0.431  1.00  0.00           C  
HETATM    3  O1  UNL     1      -4.344  -0.816  -0.918  1.00  0.00           O  
HETATM    4  C3  UNL     1      -2.959  -0.939  -0.895  1.00  0.00           C  
HETATM    5  O2  UNL     1      -2.600  -0.313   0.357  1.00  0.00           O  
HETATM    6  C4  UNL     1      -2.313   1.006   0.435  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.101   1.571   0.355  1.00  0.00           C  
HETATM    8  C6  UNL     1       0.117   0.800   0.181  1.00  0.00           C  
HETATM    9  C7  UNL     1       1.266   1.481  -0.241  1.00  0.00           C  
HETATM   10  C8  UNL     1       2.495   0.881  -0.389  1.00  0.00           C  
HETATM   11  C9  UNL     1       2.664  -0.449  -0.123  1.00  0.00           C  
HETATM   12  O3  UNL     1       3.863  -1.086  -0.257  1.00  0.00           O  
HETATM   13  C10 UNL     1       5.095  -0.583  -0.685  1.00  0.00           C  
HETATM   14  O4  UNL     1       5.593  -1.272  -1.775  1.00  0.00           O  
HETATM   15  C11 UNL     1       6.883  -0.889  -2.146  1.00  0.00           C  
HETATM   16  C12 UNL     1       7.872  -1.365  -1.088  1.00  0.00           C  
HETATM   17  O5  UNL     1       8.834  -0.451  -0.778  1.00  0.00           O  
HETATM   18  C13 UNL     1       7.093  -1.751   0.165  1.00  0.00           C  
HETATM   19  O6  UNL     1       8.019  -1.870   1.205  1.00  0.00           O  
HETATM   20  C14 UNL     1       6.065  -0.693   0.466  1.00  0.00           C  
HETATM   21  O7  UNL     1       5.411  -1.012   1.658  1.00  0.00           O  
HETATM   22  C15 UNL     1       1.524  -1.148   0.302  1.00  0.00           C  
HETATM   23  C16 UNL     1       0.290  -0.526   0.446  1.00  0.00           C  
HETATM   24  O8  UNL     1      -0.964   2.921   0.433  1.00  0.00           O  
HETATM   25  C17 UNL     1      -1.974   3.719   0.591  1.00  0.00           C  
HETATM   26  C18 UNL     1      -1.810   5.105   0.670  1.00  0.00           C  
HETATM   27  C19 UNL     1      -2.902   5.927   0.838  1.00  0.00           C  
HETATM   28  O9  UNL     1      -2.722   7.300   0.915  1.00  0.00           O  
HETATM   29  C20 UNL     1      -4.182   5.434   0.935  1.00  0.00           C  
HETATM   30  C21 UNL     1      -4.332   4.066   0.855  1.00  0.00           C  
HETATM   31  O10 UNL     1      -5.601   3.528   0.947  1.00  0.00           O  
HETATM   32  C22 UNL     1      -3.234   3.209   0.684  1.00  0.00           C  
HETATM   33  C23 UNL     1      -3.421   1.852   0.608  1.00  0.00           C  
HETATM   34  O11 UNL     1      -4.582   1.405   0.696  1.00  0.00           O  
HETATM   35  C24 UNL     1      -2.475  -2.325  -0.918  1.00  0.00           C  
HETATM   36  O12 UNL     1      -2.788  -2.962  -2.166  1.00  0.00           O  
HETATM   37  C25 UNL     1      -3.050  -3.182   0.175  1.00  0.00           C  
HETATM   38  O13 UNL     1      -2.263  -3.125   1.324  1.00  0.00           O  
HETATM   39  C26 UNL     1      -4.474  -2.852   0.425  1.00  0.00           C  
HETATM   40  O14 UNL     1      -4.582  -2.538   1.805  1.00  0.00           O  
HETATM   41  H1  UNL     1      -6.755  -1.648  -1.789  1.00  0.00           H  
HETATM   42  H2  UNL     1      -6.632  -3.218  -0.965  1.00  0.00           H  
HETATM   43  H3  UNL     1      -5.512  -2.904  -2.311  1.00  0.00           H  
HETATM   44  H4  UNL     1      -5.859  -1.301   0.254  1.00  0.00           H  
HETATM   45  H5  UNL     1      -2.530  -0.283  -1.688  1.00  0.00           H  
HETATM   46  H6  UNL     1       1.175   2.525  -0.461  1.00  0.00           H  
HETATM   47  H7  UNL     1       3.336   1.491  -0.722  1.00  0.00           H  
HETATM   48  H8  UNL     1       4.987   0.489  -1.003  1.00  0.00           H  
HETATM   49  H9  UNL     1       7.117  -1.231  -3.158  1.00  0.00           H  
HETATM   50  H10 UNL     1       6.914   0.215  -2.137  1.00  0.00           H  
HETATM   51  H11 UNL     1       8.339  -2.287  -1.470  1.00  0.00           H  
HETATM   52  H12 UNL     1       8.615   0.194  -0.082  1.00  0.00           H  
HETATM   53  H13 UNL     1       6.598  -2.721  -0.024  1.00  0.00           H  
HETATM   54  H14 UNL     1       8.203  -2.830   1.368  1.00  0.00           H  
HETATM   55  H15 UNL     1       6.581   0.297   0.555  1.00  0.00           H  
HETATM   56  H16 UNL     1       4.875  -1.815   1.510  1.00  0.00           H  
HETATM   57  H17 UNL     1       1.634  -2.186   0.514  1.00  0.00           H  
HETATM   58  H18 UNL     1      -0.568  -1.067   0.803  1.00  0.00           H  
HETATM   59  H19 UNL     1      -0.816   5.521   0.598  1.00  0.00           H  
HETATM   60  H20 UNL     1      -2.571   7.699   1.830  1.00  0.00           H  
HETATM   61  H21 UNL     1      -5.057   6.061   1.067  1.00  0.00           H  
HETATM   62  H22 UNL     1      -6.409   4.121   1.071  1.00  0.00           H  
HETATM   63  H23 UNL     1      -1.375  -2.434  -0.883  1.00  0.00           H  
HETATM   64  H24 UNL     1      -2.335  -2.475  -2.897  1.00  0.00           H  
HETATM   65  H25 UNL     1      -2.941  -4.244  -0.196  1.00  0.00           H  
HETATM   66  H26 UNL     1      -2.663  -2.590   2.046  1.00  0.00           H  
HETATM   67  H27 UNL     1      -5.073  -3.815   0.350  1.00  0.00           H  
HETATM   68  H28 UNL     1      -4.555  -3.378   2.331  1.00  0.00           H  
CONECT    1    2   41   42   43
CONECT    2    3   39   44
CONECT    3    4
CONECT    4    5   35   45
CONECT    5    6
CONECT    6    7    7   33
CONECT    7    8   24
CONECT    8    9    9   23
CONECT    9   10   46
CONECT   10   11   11   47
CONECT   11   12   22
CONECT   12   13
CONECT   13   14   20   48
CONECT   14   15
CONECT   15   16   49   50
CONECT   16   17   18   51
CONECT   17   52
CONECT   18   19   20   53
CONECT   19   54
CONECT   20   21   55
CONECT   21   56
CONECT   22   23   23   57
CONECT   23   58
CONECT   24   25
CONECT   25   26   26   32
CONECT   26   27   59
CONECT   27   28   29   29
CONECT   28   60
CONECT   29   30   61
CONECT   30   31   32   32
CONECT   31   62
CONECT   32   33
CONECT   33   34   34
CONECT   35   36   37   63
CONECT   36   64
CONECT   37   38   39   65
CONECT   38   66
CONECT   39   40   67
CONECT   40   68
END

HMDB0039321
     RDKit          3D
Kaempferol 3-rhamnoside 4'-xyloside
 68 72  0  0  0  0  0  0  0  0999 V2000
   -6.0338   -2.4313   -1.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0978   -1.8156   -0.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3438   -0.8158   -0.9177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9591   -0.9393   -0.8951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6005   -0.3131    0.3571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3130    1.0061    0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1005    1.5711    0.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1170    0.7996    0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    1.4807   -0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4949    0.8815   -0.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6636   -0.4494   -0.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8627   -1.0858   -0.2569 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0952   -0.5829   -0.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5935   -1.2720   -1.7751 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8826   -0.8888   -2.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8717   -1.3649   -1.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8345   -0.4506   -0.7775 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0929   -1.7510    0.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0194   -1.8701    1.2048 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653   -0.6927    0.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4111   -1.0123    1.6582 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5237   -1.1480    0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2900   -0.5262    0.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9643    2.9207    0.4333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9743    3.7193    0.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8100    5.1053    0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9023    5.9274    0.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7219    7.3003    0.9146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1824    5.4343    0.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3322    4.0660    0.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6009    3.5280    0.9473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2340    3.2087    0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4212    1.8523    0.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5818    1.4048    0.6957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4754   -2.3245   -0.9184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7883   -2.9621   -2.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0495   -3.1821    0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2631   -3.1248    1.3235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4740   -2.8524    0.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5821   -2.5377    1.8050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7551   -1.6477   -1.7889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6316   -3.2183   -0.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5115   -2.9040   -2.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8587   -1.3014    0.2539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5304   -0.2830   -1.6881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1748    2.5250   -0.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3358    1.4911   -0.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9872    0.4891   -1.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174   -1.2310   -3.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9138    0.2149   -2.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3386   -2.2867   -1.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6150    0.1938   -0.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5976   -2.7212   -0.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2032   -2.8296    1.3678 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5809    0.2974    0.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8748   -1.8148    1.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6339   -2.1861    0.5141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5683   -1.0665    0.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8159    5.5214    0.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5707    7.6993    1.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0574    6.0607    1.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4085    4.1215    1.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3746   -2.4343   -0.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3350   -2.4751   -2.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9412   -4.2443   -0.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6634   -2.5902    2.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0733   -3.8148    0.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5553   -3.3776    2.3313 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  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 11 22  1  0
 22 23  2  0
  7 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 32 33  1  0
 33 34  2  0
  4 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39  2  1  0
 33  6  1  0
 23  8  1  0
 32 25  1  0
 20 13  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  2 44  1  0
  4 45  1  0
  9 46  1  0
 10 47  1  0
 13 48  1  0
 15 49  1  0
 15 50  1  0
 16 51  1  0
 17 52  1  0
 18 53  1  0
 19 54  1  0
 20 55  1  0
 21 56  1  0
 22 57  1  0
 23 58  1  0
 26 59  1  0
 28 60  1  0
 29 61  1  0
 31 62  1  0
 35 63  1  0
 36 64  1  0
 37 65  1  0
 38 66  1  0
 39 67  1  0
 40 68  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Kaempferol 3-rhamnoside-4'-xyloside	HMDB

Chemical Formula

C₂₆H₂₈O₁₄

Average Molecular Weight

564.4921

Monoisotopic Molecular Weight

564.147905604

IUPAC Name

5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-{4-[(3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}-4H-chromen-4-one

Traditional Name

5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-{4-[(3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}chromen-4-one

CAS Registry Number

132536-65-3

SMILES

CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(OC3OCC(O)C(O)C3O)C=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C26H28O14/c1-9-17(30)20(33)22(35)26(37-9)40-24-19(32)16-13(28)6-11(27)7-15(16)39-23(24)10-2-4-12(5-3-10)38-25-21(34)18(31)14(29)8-36-25/h2-7,9,14,17-18,20-22,25-31,33-35H,8H2,1H3

InChI Key

JNCDGNJMRRVEGE-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-3-O-glycosides

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0039321)
Cytoplasm (HMDB: HMDB0039321)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0039321)

Source

Exogenous

Exogenous (HMDB: HMDB0039321)

Food

Food (HMDB: HMDB0039321)

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Endogenous

Plant

Plant (HMDB: HMDB0039321)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0039321)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	262 - 263 °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	1.81 g/L	ALOGPS
logP	0.11	ALOGPS
logP	-0.43	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	6.44	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	225.06 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	131.93 m³·mol⁻¹	ChemAxon
Polarizability	54.83 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	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	220.785	30932474
DeepCCS	[M-H]-	218.389	30932474
DeepCCS	[M-2H]-	251.274	30932474
DeepCCS	[M+Na]+	226.698	30932474
AllCCS	[M+H]+	225.7	32859911
AllCCS	[M+H-H2O]+	224.2	32859911
AllCCS	[M+NH4]+	227.1	32859911
AllCCS	[M+Na]+	227.5	32859911
AllCCS	[M-H]-	220.2	32859911
AllCCS	[M+Na-2H]-	221.9	32859911
AllCCS	[M+HCOO]-	223.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Kaempferol 3-rhamnoside 4'-xyloside	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(OC3OCC(O)C(O)C3O)C=C2)C(O)C(O)C1O	5225.0	Standard polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(OC3OCC(O)C(O)C3O)C=C2)C(O)C(O)C1O	4903.4	Standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(OC3OCC(O)C(O)C3O)C=C2)C(O)C(O)C1O	5298.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Kaempferol 3-rhamnoside 4'-xyloside,1TMS,isomer #1	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5147.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,1TMS,isomer #2	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5128.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,1TMS,isomer #3	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5123.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,1TMS,isomer #4	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5118.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,1TMS,isomer #5	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5123.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,1TMS,isomer #6	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5115.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,1TMS,isomer #7	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5108.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,1TMS,isomer #8	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5117.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #1	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5056.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #10	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5044.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #11	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5043.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #12	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5014.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #13	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5049.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #14	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5053.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #15	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5054.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #16	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5029.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #17	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5004.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #18	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5031.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #19	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5041.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #2	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5027.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #20	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5014.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #21	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4982.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #22	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5016.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #23	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5027.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #24	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5009.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #25	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5031.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #26	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5042.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #27	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5036.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #28	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5041.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #3	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5056.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #4	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5053.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #5	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5056.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #6	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5024.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #7	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5060.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #8	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5046.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TMS,isomer #9	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5021.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #1	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	4916.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #10	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4836.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #11	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4886.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #12	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4911.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #13	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4932.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #14	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4887.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #15	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4938.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #16	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4908.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #17	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4858.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #18	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4929.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #19	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4924.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #2	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	4932.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #20	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4920.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #21	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4911.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #22	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4895.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #23	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4916.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #24	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4897.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #25	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4847.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #26	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4904.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #27	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4893.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #28	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4853.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #29	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4795.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #3	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4914.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #30	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4859.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #31	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4900.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #32	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4852.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #33	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4908.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #34	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4891.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #35	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4892.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #36	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4886.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #37	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	4992.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #38	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4904.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #39	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4872.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #4	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4924.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #40	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4908.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #41	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4930.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #42	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4909.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #43	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4937.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #44	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4904.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #45	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4900.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #46	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4894.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #47	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4898.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #48	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4873.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #49	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4905.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #5	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4878.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #50	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4874.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #51	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4873.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #52	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4870.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #53	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4909.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #54	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4901.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #55	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4903.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #56	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4917.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #6	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4930.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #7	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	4914.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #8	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4854.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,3TMS,isomer #9	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4885.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #1	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	4837.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #10	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4764.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #11	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4697.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #12	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4769.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #13	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4782.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #14	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4796.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #15	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4776.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #16	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4754.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #17	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4803.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #18	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4736.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #19	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4804.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #2	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4737.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #20	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4699.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #21	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4652.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #22	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4707.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #23	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4733.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #24	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4748.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #25	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4727.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #26	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4782.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #27	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4703.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #28	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4785.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #29	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4805.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #3	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4790.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #30	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4818.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #31	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4801.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #32	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4762.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #33	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4773.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #34	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4755.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #35	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4821.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #36	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4816.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #37	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4765.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #38	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4698.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #39	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4767.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #4	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4716.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #40	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4797.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #41	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4733.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #42	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4802.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #43	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4758.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #44	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4770.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #45	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4754.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #46	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4772.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #47	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4714.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #48	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4778.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #49	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4703.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #5	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4787.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #50	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4717.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #51	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4701.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #52	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4771.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #53	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4782.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #54	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4769.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #55	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4790.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #56	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4845.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #57	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4799.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #58	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4850.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #59	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4774.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #6	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4764.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #60	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4797.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #61	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4776.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #62	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4816.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #63	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4836.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #64	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4818.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #65	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4809.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #66	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4788.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #67	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4813.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #68	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4789.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #69	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4776.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #7	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4824.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #70	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4832.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #8	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4752.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,4TMS,isomer #9	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4823.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,1TBDMS,isomer #1	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5344.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,1TBDMS,isomer #2	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	5325.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,1TBDMS,isomer #3	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5358.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,1TBDMS,isomer #4	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5356.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,1TBDMS,isomer #5	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5362.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,1TBDMS,isomer #6	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5349.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,1TBDMS,isomer #7	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5341.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,1TBDMS,isomer #8	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5357.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #1	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5447.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #10	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	5414.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #11	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5411.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #12	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5405.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #13	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5432.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #14	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5440.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #15	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5456.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #16	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5417.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #17	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5403.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #18	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5434.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #19	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5431.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #2	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5429.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #20	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5399.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #21	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5391.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #22	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5424.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #23	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5404.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #24	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5388.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #25	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5422.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #26	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	5411.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #27	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	5425.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #28	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5425.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #3	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5431.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #4	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	5435.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #5	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5431.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #6	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5424.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #7	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O)C4O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5452.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #8	CC1OC(OC2=C(C3=CC=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	5431.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 4'-xyloside,2TBDMS,isomer #9	CC1OC(OC2=C(C3=CC=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	5413.7	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 - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (Non-derivatized) - 70eV, Positive	splash10-000t-6400490000-bd53e5107def4bf0d0bd	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS ("Kaempferol 3-rhamnoside 4'-xyloside,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside GC-MS (TMS_2_15) - 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 - Kaempferol 3-rhamnoside 4'-xyloside 10V, Positive-QTOF	splash10-014i-0120930000-289d0f764c4224639af8	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside 20V, Positive-QTOF	splash10-000i-0290600000-b3eaabe7d9ee1b30f517	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside 40V, Positive-QTOF	splash10-000i-2290200000-95e678144049999b8926	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside 10V, Negative-QTOF	splash10-03di-3203980000-abfdb6970382180b7a17	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside 20V, Negative-QTOF	splash10-02aj-1335920000-7ee489b25fde38b90d0e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside 40V, Negative-QTOF	splash10-0043-5292100000-a11114d717efc050e8c4	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside 10V, Positive-QTOF	splash10-014i-0000090000-2b44d7c7097dece6794d	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside 20V, Positive-QTOF	splash10-014i-0000090000-b9bbfa94e3dd9b2bed68	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside 40V, Positive-QTOF	splash10-0uxr-1901130000-7209ce8ea9c82fc6b9d0	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside 10V, Negative-QTOF	splash10-03di-0000090000-7687d53c3775282478a1	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside 20V, Negative-QTOF	splash10-0ik9-0300190000-9cc9f1a1fe2cc11328dc	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 4'-xyloside 40V, Negative-QTOF	splash10-0udi-2933210000-bf9398f11250fef89f77	2021-09-23	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

FDB018874

KNApSAcK ID

C00005195

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

74978072

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 Kaempferol 3-rhamnoside 4'-xyloside (HMDB0039321)

MOL for HMDB0039321 (Kaempferol 3-rhamnoside 4'-xyloside)

3D MOL for HMDB0039321 (Kaempferol 3-rhamnoside 4'-xyloside)

3D SDF for HMDB0039321 (Kaempferol 3-rhamnoside 4'-xyloside)

3D-SDF for HMDB0039321 (Kaempferol 3-rhamnoside 4'-xyloside)

PDB for HMDB0039321 (Kaempferol 3-rhamnoside 4'-xyloside)

3D PDB for HMDB0039321 (Kaempferol 3-rhamnoside 4'-xyloside)

SMILES for HMDB0039321 (Kaempferol 3-rhamnoside 4'-xyloside)

INCHI for HMDB0039321 (Kaempferol 3-rhamnoside 4'-xyloside)

Structure for HMDB0039321 (Kaempferol 3-rhamnoside 4'-xyloside)

3D Structure for HMDB0039321 (Kaempferol 3-rhamnoside 4'-xyloside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra