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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:44:08 UTC

Update Date

2022-03-07 02:56:09 UTC

HMDB ID

HMDB0039320

Secondary Accession Numbers

HMDB39320

Metabolite Identification

Common Name

Kaempferol 3-rhamnoside 7-galacturonide

Description

Kaempferol 3-rhamnoside 7-galacturonide is found in coffee and coffee products. Kaempferol 3-rhamnoside 7-galacturonide is isolated from Silybum marianum (milk thistle). Kaempferol 3-rhamnoside 7-galacturonide is a natural flavonoid that has been isolated from tea, broccoli, Delphinium, Witch-hazel, grapefruit, brussel sprouts, apples and other plant sources. Kaempferol 3-rhamnoside 7-galacturonide is a yellow crystalline solid with a melting point of 276-278 Â°C. It is slightly soluble in water but soluble in hot ethanol and diethyl ether.

Structure

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


  Mrv0541 05061311002D          

 43 47  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
    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
    4.2868    0.8250    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
    0.0000   -1.6500    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
    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
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    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
   -0.7145    1.2375    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
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    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
    2.8579   -4.9500    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
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    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
   -2.8579    3.3000    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
   -1.4289    0.0000    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
   -2.1434    1.2375    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
  8  1  1  0  0  0  0
  9  2  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 19 18  1  0  0  0  0
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 22  9  1  0  0  0  0
 23 16  1  0  0  0  0
 23 22  2  0  0  0  0
 24 19  1  0  0  0  0
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 26 20  1  0  0  0  0
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 35 20  1  0  0  0  0
 36 21  1  0  0  0  0
 37 25  2  0  0  0  0
 38 25  1  0  0  0  0
 39  8  1  0  0  0  0
 39 26  1  0  0  0  0
 40 11  1  0  0  0  0
 40 27  1  0  0  0  0
 41 13  1  0  0  0  0
 41 22  1  0  0  0  0
 42 23  1  0  0  0  0
 42 26  1  0  0  0  0
 43 24  1  0  0  0  0
 43 27  1  0  0  0  0
M  END

HMDB0039320
     RDKit          3D
Kaempferol 3-rhamnoside 7-galacturonide
 71 75  0  0  0  0  0  0  0  0999 V2000
   -5.0147   -1.5880   -3.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3073   -1.7203   -2.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2775   -1.5165   -1.3521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0013   -0.3014   -0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3294   -0.6414    0.4434 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0138   -0.2881    0.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6406    0.7623    1.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5408    1.6373    2.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161    2.8588    2.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7704    3.7261    3.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0566    3.4136    3.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8624    4.2581    4.3920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5957    2.2205    3.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8137    1.3464    2.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3145    0.9808    1.5203 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5816    0.2318    0.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    0.5264    1.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -0.2282    0.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976    0.1764    0.7634 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4106   -0.3753    0.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9140   -1.1118    1.3222 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0611   -1.7657    0.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8299   -2.8699    0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6712   -3.1816   -0.2633 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8587   -3.6285   -0.5039 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1900   -0.8389    0.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5930   -0.2059    1.7849 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7341    0.1998   -0.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6263    1.2844   -0.2467 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3681    0.7021   -0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8669    1.3087   -1.3048 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5399   -1.2835   -0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2018   -1.6542   -0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9262   -2.7235   -1.2314 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2369   -0.8576    0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0858   -1.1240    0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4755   -2.0869   -0.6683 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1333    0.6172   -0.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6581    1.9507   -0.5152 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1235    0.5313   -1.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2249    1.3703   -1.5150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5424   -0.9145   -1.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5550   -1.1803   -2.6796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9558   -1.9311   -3.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1612   -0.5640   -4.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6707   -2.3278   -4.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6455   -2.8022   -2.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2365    0.2646   -1.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0032    3.1442    2.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3513    4.6709    3.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8039    3.9905    4.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3044    0.4327    2.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1585   -0.9931   -0.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4547   -2.2634    1.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0757   -3.4015   -1.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0010   -1.4373    0.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5538   -0.1009    1.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248   -0.1494   -1.4229 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4438    1.8149    0.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3868    1.5316    0.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5342    2.2153   -1.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3279   -1.8905   -0.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1424   -3.1812   -1.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7588    0.3840    0.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4133    2.5977   -0.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5568    0.8359   -2.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5084    1.1916   -0.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7656   -1.2176   -0.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6599   -2.1558   -2.7690 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
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  4 48  1  0
  9 49  1  0
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 32 64  1  0
 34 65  1  0
 38 66  1  0
 39 67  1  0
 40 68  1  0
 41 69  1  0
 42 70  1  0
 43 71  1  0
M  END


  Mrv0541 05061311002D          

 43 47  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
    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
    4.2868    0.8250    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
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    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
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    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    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
   -2.8579    3.3000    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
   -1.4289    0.0000    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
   -2.1434    1.2375    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
  8  1  1  0  0  0  0
  9  2  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22  9  1  0  0  0  0
 23 16  1  0  0  0  0
 23 22  2  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 26 20  1  0  0  0  0
 27 21  1  0  0  0  0
 28 10  1  0  0  0  0
 29 12  1  0  0  0  0
 30 15  1  0  0  0  0
 31 16  2  0  0  0  0
 32 17  1  0  0  0  0
 33 18  1  0  0  0  0
 34 19  1  0  0  0  0
 35 20  1  0  0  0  0
 36 21  1  0  0  0  0
 37 25  2  0  0  0  0
 38 25  1  0  0  0  0
 39  8  1  0  0  0  0
 39 26  1  0  0  0  0
 40 11  1  0  0  0  0
 40 27  1  0  0  0  0
 41 13  1  0  0  0  0
 41 22  1  0  0  0  0
 42 23  1  0  0  0  0
 42 26  1  0  0  0  0
 43 24  1  0  0  0  0
 43 27  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039320

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1OC(OC2=C(OC3=CC(OC4OC(C(O)C(O)C4O)C(O)=O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H28O16/c1-8-15(30)17(32)20(35)26(39-8)42-23-16(31)14-12(29)6-11(7-13(14)41-22(23)9-2-4-10(28)5-3-9)40-27-21(36)18(33)19(34)24(43-27)25(37)38/h2-8,15,17-21,24,26-30,32-36H,1H3,(H,37,38)

> <INCHI_KEY>
MKGZGCPBKPSTST-UHFFFAOYSA-N

> <FORMULA>
C27H28O16

> <MOLECULAR_WEIGHT>
608.5016

> <EXACT_MASS>
608.137734848

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
57.367197368631686

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid

> <ALOGPS_LOGP>
0.36

> <JCHEM_LOGP>
-0.7421535629999995

> <ALOGPS_LOGS>
-2.30

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.102040165623594

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.7195926464543416

> <JCHEM_PKA_STRONGEST_BASIC>
-3.686826778068572

> <JCHEM_POLAR_SURFACE_AREA>
262.3599999999999

> <JCHEM_REFRACTIVITY>
137.76269999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.02e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-7-yl]oxy}oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0039320
     RDKit          3D
Kaempferol 3-rhamnoside 7-galacturonide
 71 75  0  0  0  0  0  0  0  0999 V2000
   -5.0147   -1.5880   -3.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3073   -1.7203   -2.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2775   -1.5165   -1.3521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0013   -0.3014   -0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3294   -0.6414    0.4434 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0138   -0.2881    0.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6406    0.7623    1.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5408    1.6373    2.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161    2.8588    2.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7704    3.7261    3.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0566    3.4136    3.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8624    4.2581    4.3920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5957    2.2205    3.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8137    1.3464    2.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3145    0.9808    1.5203 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5816    0.2318    0.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    0.5264    1.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -0.2282    0.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976    0.1764    0.7634 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4106   -0.3753    0.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9140   -1.1118    1.3222 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0611   -1.7657    0.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8299   -2.8699    0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6712   -3.1816   -0.2633 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8587   -3.6285   -0.5039 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1900   -0.8389    0.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5930   -0.2059    1.7849 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7341    0.1998   -0.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6263    1.2844   -0.2467 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3681    0.7021   -0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8669    1.3087   -1.3048 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5399   -1.2835   -0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2018   -1.6542   -0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9262   -2.7235   -1.2314 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2369   -0.8576    0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0858   -1.1240    0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4755   -2.0869   -0.6683 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1333    0.6172   -0.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6581    1.9507   -0.5152 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1235    0.5313   -1.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2249    1.3703   -1.5150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5424   -0.9145   -1.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5550   -1.1803   -2.6796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9558   -1.9311   -3.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1612   -0.5640   -4.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6707   -2.3278   -4.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6455   -2.8022   -2.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2365    0.2646   -1.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0032    3.1442    2.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3513    4.6709    3.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8039    3.9905    4.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6088    1.9407    3.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3044    0.4327    2.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1940    1.3843    1.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1585   -0.9931   -0.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4547   -2.2634    1.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0757   -3.4015   -1.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0010   -1.4373    0.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5538   -0.1009    1.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248   -0.1494   -1.4229 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4438    1.8149    0.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3868    1.5316    0.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5342    2.2153   -1.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3279   -1.8905   -0.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1424   -3.1812   -1.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7588    0.3840    0.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4133    2.5977   -0.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5568    0.8359   -2.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5084    1.1916   -0.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7656   -1.2176   -0.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6599   -2.1558   -2.7690 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
 11 13  1  0
 13 14  2  0
  7 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 22 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 18 32  2  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 35 36  1  0
 36 37  2  0
  4 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 42  2  1  0
 36  6  1  0
 14  8  1  0
 35 16  1  0
 30 20  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  2 47  1  0
  4 48  1  0
  9 49  1  0
 10 50  1  0
 12 51  1  0
 13 52  1  0
 14 53  1  0
 17 54  1  0
 20 55  1  0
 22 56  1  0
 25 57  1  0
 26 58  1  0
 27 59  1  0
 28 60  1  0
 29 61  1  0
 30 62  1  0
 31 63  1  0
 32 64  1  0
 34 65  1  0
 38 66  1  0
 39 67  1  0
 40 68  1  0
 41 69  1  0
 42 70  1  0
 43 71  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       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.002   1.540   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       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -5.335   4.620   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  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       0.000  -4.620   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       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       0.000   4.620   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -2.667   6.160   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       0.000   1.540   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -6.668   3.850   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -5.335   6.160   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
CONECT    1    8                                                            
CONECT    2    4    9                                                       
CONECT    3    5    9                                                       
CONECT    4    2   10                                                       
CONECT    5    3   10                                                       
CONECT    6   11   12                                                       
CONECT    7   11   13                                                       
CONECT    8    1   15   39                                                  
CONECT    9    2    3   22                                                  
CONECT   10    4    5   28                                                  
CONECT   11    6    7   40                                                  
CONECT   12    6   14   29                                                  
CONECT   13    7   14   41                                                  
CONECT   14   12   13   16                                                  
CONECT   15    8   17   30                                                  
CONECT   16   14   23   31                                                  
CONECT   17   15   20   32                                                  
CONECT   18   19   21   33                                                  
CONECT   19   18   24   34                                                  
CONECT   20   17   26   35                                                  
CONECT   21   18   27   36                                                  
CONECT   22    9   23   41                                                  
CONECT   23   16   22   42                                                  
CONECT   24   19   25   43                                                  
CONECT   25   24   37   38                                                  
CONECT   26   20   39   42                                                  
CONECT   27   21   40   43                                                  
CONECT   28   10                                                            
CONECT   29   12                                                            
CONECT   30   15                                                            
CONECT   31   16                                                            
CONECT   32   17                                                            
CONECT   33   18                                                            
CONECT   34   19                                                            
CONECT   35   20                                                            
CONECT   36   21                                                            
CONECT   37   25                                                            
CONECT   38   25                                                            
CONECT   39    8   26                                                       
CONECT   40   11   27                                                       
CONECT   41   13   22                                                       
CONECT   42   23   26                                                       
CONECT   43   24   27                                                       
MASTER        0    0    0    0    0    0    0    0   43    0   94    0
END

COMPND    HMDB0039320
HETATM    1  C1  UNL     1      -5.015  -1.588  -3.650  1.00  0.00           C  
HETATM    2  C2  UNL     1      -5.307  -1.720  -2.184  1.00  0.00           C  
HETATM    3  O1  UNL     1      -4.277  -1.516  -1.352  1.00  0.00           O  
HETATM    4  C3  UNL     1      -4.001  -0.301  -0.809  1.00  0.00           C  
HETATM    5  O2  UNL     1      -3.329  -0.641   0.443  1.00  0.00           O  
HETATM    6  C4  UNL     1      -2.014  -0.288   0.670  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.641   0.762   1.423  1.00  0.00           C  
HETATM    8  C6  UNL     1      -2.541   1.637   2.116  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.016   2.859   2.562  1.00  0.00           C  
HETATM   10  C8  UNL     1      -2.770   3.726   3.309  1.00  0.00           C  
HETATM   11  C9  UNL     1      -4.057   3.414   3.633  1.00  0.00           C  
HETATM   12  O3  UNL     1      -4.862   4.258   4.392  1.00  0.00           O  
HETATM   13  C10 UNL     1      -4.596   2.220   3.206  1.00  0.00           C  
HETATM   14  C11 UNL     1      -3.814   1.346   2.447  1.00  0.00           C  
HETATM   15  O4  UNL     1      -0.315   0.981   1.520  1.00  0.00           O  
HETATM   16  C12 UNL     1       0.582   0.232   0.933  1.00  0.00           C  
HETATM   17  C13 UNL     1       1.926   0.526   1.099  1.00  0.00           C  
HETATM   18  C14 UNL     1       2.925  -0.228   0.513  1.00  0.00           C  
HETATM   19  O5  UNL     1       4.198   0.176   0.763  1.00  0.00           O  
HETATM   20  C15 UNL     1       5.411  -0.375   0.258  1.00  0.00           C  
HETATM   21  O6  UNL     1       5.914  -1.112   1.322  1.00  0.00           O  
HETATM   22  C16 UNL     1       7.061  -1.766   0.998  1.00  0.00           C  
HETATM   23  C17 UNL     1       6.830  -2.870   0.066  1.00  0.00           C  
HETATM   24  O7  UNL     1       5.671  -3.182  -0.263  1.00  0.00           O  
HETATM   25  O8  UNL     1       7.859  -3.629  -0.504  1.00  0.00           O  
HETATM   26  C18 UNL     1       8.190  -0.839   0.618  1.00  0.00           C  
HETATM   27  O9  UNL     1       8.593  -0.206   1.785  1.00  0.00           O  
HETATM   28  C19 UNL     1       7.734   0.200  -0.374  1.00  0.00           C  
HETATM   29  O10 UNL     1       8.626   1.284  -0.247  1.00  0.00           O  
HETATM   30  C20 UNL     1       6.368   0.702  -0.121  1.00  0.00           C  
HETATM   31  O11 UNL     1       5.867   1.309  -1.305  1.00  0.00           O  
HETATM   32  C21 UNL     1       2.540  -1.283  -0.242  1.00  0.00           C  
HETATM   33  C22 UNL     1       1.202  -1.654  -0.462  1.00  0.00           C  
HETATM   34  O12 UNL     1       0.926  -2.723  -1.231  1.00  0.00           O  
HETATM   35  C23 UNL     1       0.237  -0.858   0.152  1.00  0.00           C  
HETATM   36  C24 UNL     1      -1.086  -1.124   0.017  1.00  0.00           C  
HETATM   37  O13 UNL     1      -1.475  -2.087  -0.668  1.00  0.00           O  
HETATM   38  C25 UNL     1      -5.133   0.617  -0.570  1.00  0.00           C  
HETATM   39  O14 UNL     1      -4.658   1.951  -0.515  1.00  0.00           O  
HETATM   40  C26 UNL     1      -6.124   0.531  -1.748  1.00  0.00           C  
HETATM   41  O15 UNL     1      -7.225   1.370  -1.515  1.00  0.00           O  
HETATM   42  C27 UNL     1      -6.542  -0.914  -1.798  1.00  0.00           C  
HETATM   43  O16 UNL     1      -7.555  -1.180  -2.680  1.00  0.00           O  
HETATM   44  H1  UNL     1      -3.956  -1.931  -3.815  1.00  0.00           H  
HETATM   45  H2  UNL     1      -5.161  -0.564  -4.024  1.00  0.00           H  
HETATM   46  H3  UNL     1      -5.671  -2.328  -4.192  1.00  0.00           H  
HETATM   47  H4  UNL     1      -5.645  -2.802  -2.029  1.00  0.00           H  
HETATM   48  H5  UNL     1      -3.236   0.265  -1.423  1.00  0.00           H  
HETATM   49  H6  UNL     1      -1.003   3.144   2.329  1.00  0.00           H  
HETATM   50  H7  UNL     1      -2.351   4.671   3.651  1.00  0.00           H  
HETATM   51  H8  UNL     1      -5.804   3.990   4.599  1.00  0.00           H  
HETATM   52  H9  UNL     1      -5.609   1.941   3.438  1.00  0.00           H  
HETATM   53  H10 UNL     1      -4.304   0.433   2.173  1.00  0.00           H  
HETATM   54  H11 UNL     1       2.194   1.384   1.704  1.00  0.00           H  
HETATM   55  H12 UNL     1       5.159  -0.993  -0.599  1.00  0.00           H  
HETATM   56  H13 UNL     1       7.455  -2.263   1.975  1.00  0.00           H  
HETATM   57  H14 UNL     1       8.076  -3.401  -1.476  1.00  0.00           H  
HETATM   58  H15 UNL     1       9.001  -1.437   0.167  1.00  0.00           H  
HETATM   59  H16 UNL     1       9.554  -0.101   1.895  1.00  0.00           H  
HETATM   60  H17 UNL     1       7.825  -0.149  -1.423  1.00  0.00           H  
HETATM   61  H18 UNL     1       8.444   1.815   0.563  1.00  0.00           H  
HETATM   62  H19 UNL     1       6.387   1.532   0.637  1.00  0.00           H  
HETATM   63  H20 UNL     1       5.534   2.215  -1.106  1.00  0.00           H  
HETATM   64  H21 UNL     1       3.328  -1.891  -0.716  1.00  0.00           H  
HETATM   65  H22 UNL     1       0.142  -3.181  -1.538  1.00  0.00           H  
HETATM   66  H23 UNL     1      -5.759   0.384   0.315  1.00  0.00           H  
HETATM   67  H24 UNL     1      -5.413   2.598  -0.605  1.00  0.00           H  
HETATM   68  H25 UNL     1      -5.557   0.836  -2.638  1.00  0.00           H  
HETATM   69  H26 UNL     1      -7.508   1.192  -0.593  1.00  0.00           H  
HETATM   70  H27 UNL     1      -6.766  -1.218  -0.750  1.00  0.00           H  
HETATM   71  H28 UNL     1      -7.660  -2.156  -2.769  1.00  0.00           H  
CONECT    1    2   44   45   46
CONECT    2    3   42   47
CONECT    3    4
CONECT    4    5   38   48
CONECT    5    6
CONECT    6    7    7   36
CONECT    7    8   15
CONECT    8    9    9   14
CONECT    9   10   49
CONECT   10   11   11   50
CONECT   11   12   13
CONECT   12   51
CONECT   13   14   14   52
CONECT   14   53
CONECT   15   16
CONECT   16   17   17   35
CONECT   17   18   54
CONECT   18   19   32   32
CONECT   19   20
CONECT   20   21   30   55
CONECT   21   22
CONECT   22   23   26   56
CONECT   23   24   24   25
CONECT   25   57
CONECT   26   27   28   58
CONECT   27   59
CONECT   28   29   30   60
CONECT   29   61
CONECT   30   31   62
CONECT   31   63
CONECT   32   33   64
CONECT   33   34   35   35
CONECT   34   65
CONECT   35   36
CONECT   36   37   37
CONECT   38   39   40   66
CONECT   39   67
CONECT   40   41   42   68
CONECT   41   69
CONECT   42   43   70
CONECT   43   71
END

HMDB0039320
     RDKit          3D
Kaempferol 3-rhamnoside 7-galacturonide
 71 75  0  0  0  0  0  0  0  0999 V2000
   -5.0147   -1.5880   -3.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3073   -1.7203   -2.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2775   -1.5165   -1.3521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0013   -0.3014   -0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3294   -0.6414    0.4434 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0138   -0.2881    0.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6406    0.7623    1.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5408    1.6373    2.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161    2.8588    2.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7704    3.7261    3.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0566    3.4136    3.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8624    4.2581    4.3920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5957    2.2205    3.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8137    1.3464    2.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3145    0.9808    1.5203 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5816    0.2318    0.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    0.5264    1.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -0.2282    0.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976    0.1764    0.7634 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4106   -0.3753    0.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9140   -1.1118    1.3222 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0611   -1.7657    0.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8299   -2.8699    0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6712   -3.1816   -0.2633 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8587   -3.6285   -0.5039 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1900   -0.8389    0.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5930   -0.2059    1.7849 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7341    0.1998   -0.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6263    1.2844   -0.2467 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3681    0.7021   -0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8669    1.3087   -1.3048 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5399   -1.2835   -0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2018   -1.6542   -0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9262   -2.7235   -1.2314 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2369   -0.8576    0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0858   -1.1240    0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4755   -2.0869   -0.6683 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1333    0.6172   -0.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6581    1.9507   -0.5152 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1235    0.5313   -1.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2249    1.3703   -1.5150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5424   -0.9145   -1.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5550   -1.1803   -2.6796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9558   -1.9311   -3.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1612   -0.5640   -4.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6707   -2.3278   -4.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6455   -2.8022   -2.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2365    0.2646   -1.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0032    3.1442    2.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3513    4.6709    3.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8039    3.9905    4.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6088    1.9407    3.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3044    0.4327    2.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1940    1.3843    1.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1585   -0.9931   -0.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4547   -2.2634    1.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0757   -3.4015   -1.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0010   -1.4373    0.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5538   -0.1009    1.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248   -0.1494   -1.4229 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4438    1.8149    0.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3868    1.5316    0.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5342    2.2153   -1.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3279   -1.8905   -0.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1424   -3.1812   -1.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7588    0.3840    0.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4133    2.5977   -0.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5568    0.8359   -2.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5084    1.1916   -0.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7656   -1.2176   -0.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6599   -2.1558   -2.7690 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
 11 13  1  0
 13 14  2  0
  7 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 22 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 18 32  2  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 35 36  1  0
 36 37  2  0
  4 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 42  2  1  0
 36  6  1  0
 14  8  1  0
 35 16  1  0
 30 20  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  2 47  1  0
  4 48  1  0
  9 49  1  0
 10 50  1  0
 12 51  1  0
 13 52  1  0
 14 53  1  0
 17 54  1  0
 20 55  1  0
 22 56  1  0
 25 57  1  0
 26 58  1  0
 27 59  1  0
 28 60  1  0
 29 61  1  0
 30 62  1  0
 31 63  1  0
 32 64  1  0
 34 65  1  0
 38 66  1  0
 39 67  1  0
 40 68  1  0
 41 69  1  0
 42 70  1  0
 43 71  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Kaempferol 3-rhamnoside-7-galacturonide	HMDB
3,4,5-Trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-7-yl]oxy}oxane-2-carboxylate	Generator

Chemical Formula

C₂₇H₂₈O₁₆

Average Molecular Weight

608.5016

Monoisotopic Molecular Weight

608.137734848

IUPAC Name

3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid

Traditional Name

3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-7-yl]oxy}oxane-2-carboxylic acid

CAS Registry Number

124167-98-2

SMILES

CC1OC(OC2=C(OC3=CC(OC4OC(C(O)C(O)C4O)C(O)=O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C27H28O16/c1-8-15(30)17(32)20(35)26(39-8)42-23-16(31)14-12(29)6-11(7-13(14)41-22(23)9-2-4-10(28)5-3-9)40-27-21(36)18(33)19(34)24(43-27)25(37)38/h2-8,15,17-21,24,26-30,32-36H,1H3,(H,37,38)

InChI Key

MKGZGCPBKPSTST-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-7-O-glycosides

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0039320)
Cytoplasm (HMDB: HMDB0039320)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0039320)

Source

Exogenous

Food

Food (HMDB: HMDB0039320)

Coffee and coffee product

Coffee

Arabica coffee (FooDB: FOOD00059)
Robusta coffee (FooDB: FOOD00060)

Coffee and coffee products (FooDB: FOOD00861)

Vegetable

Leaf vegetable

Green vegetables (FooDB: FOOD00872)

Endogenous

Plant

Plant (HMDB: HMDB0039320)
Coffea (HMDB: HMDB0039320)

Not Available

Nutrient (HMDB: HMDB0039320)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	3.02 g/L	ALOGPS
logP	0.36	ALOGPS
logP	-0.74	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	2.72	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	262.36 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	137.76 m³·mol⁻¹	ChemAxon
Polarizability	57.37 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	234.892	31661259
DarkChem	[M-H]-	229.508	31661259
DeepCCS	[M+H]+	223.277	30932474
DeepCCS	[M-H]-	221.442	30932474
DeepCCS	[M-2H]-	254.682	30932474
DeepCCS	[M+Na]+	229.012	30932474
AllCCS	[M+H]+	231.1	32859911
AllCCS	[M+H-H2O]+	229.9	32859911
AllCCS	[M+NH4]+	232.3	32859911
AllCCS	[M+Na]+	232.6	32859911
AllCCS	[M-H]-	227.2	32859911
AllCCS	[M+Na-2H]-	229.2	32859911
AllCCS	[M+HCOO]-	231.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Kaempferol 3-rhamnoside 7-galacturonide	CC1OC(OC2=C(OC3=CC(OC4OC(C(O)C(O)C4O)C(O)=O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	5901.1	Standard polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide	CC1OC(OC2=C(OC3=CC(OC4OC(C(O)C(O)C4O)C(O)=O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	5139.9	Standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide	CC1OC(OC2=C(OC3=CC(OC4OC(C(O)C(O)C4O)C(O)=O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	5657.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Kaempferol 3-rhamnoside 7-galacturonide,1TMS,isomer #1	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5359.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,1TMS,isomer #2	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5366.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,1TMS,isomer #3	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5379.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,1TMS,isomer #4	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5318.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,1TMS,isomer #5	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5365.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,1TMS,isomer #6	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5401.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,1TMS,isomer #7	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5375.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,1TMS,isomer #8	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5358.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,1TMS,isomer #9	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5372.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #1	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5268.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #10	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5231.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #11	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5290.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #12	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5227.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #13	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5256.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #14	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5229.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #15	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5262.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #16	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5298.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #17	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5262.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #18	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5263.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #19	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5281.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #2	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5253.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #20	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5254.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #21	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5285.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #22	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5258.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #23	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5221.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #24	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5231.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #25	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5205.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #26	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5234.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #27	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5262.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #28	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5248.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #29	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5209.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #3	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5266.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #30	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5254.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #31	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5282.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #32	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5249.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #33	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5287.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #34	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5276.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #35	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5265.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #36	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5272.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #4	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5271.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #5	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5236.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #6	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5256.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #7	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5231.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #8	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5260.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TMS,isomer #9	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5267.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #1	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5159.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #10	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5094.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #11	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5118.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #12	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5082.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #13	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5126.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #14	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5172.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #15	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5068.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #16	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5107.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #17	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5067.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #18	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5115.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #19	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5087.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #2	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5144.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #20	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5123.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #21	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5081.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #22	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5129.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #23	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5074.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #24	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5019.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #25	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5083.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #26	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5106.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #27	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5103.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #28	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5096.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #29	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5118.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #3	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5162.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #30	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5198.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #31	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5097.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #32	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5141.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #33	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5092.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #34	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5154.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #35	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5149.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #36	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5054.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #37	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5087.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #38	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5044.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #39	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5100.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #4	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5109.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #40	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5113.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #41	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5149.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #42	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5109.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #43	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5159.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #44	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5054.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #45	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5003.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #46	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5069.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #47	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5098.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #48	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5094.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #49	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5087.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #5	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5157.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #50	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5177.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #51	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5158.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #52	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5191.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #53	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5147.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #54	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5204.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #55	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5111.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #56	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5132.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #57	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5095.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #58	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5143.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #59	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5106.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #6	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5108.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #60	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5055.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #61	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5121.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #62	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5135.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #63	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5130.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #64	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5124.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #65	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5104.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #66	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5136.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #67	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5085.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #68	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5142.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #69	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5067.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #7	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5166.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #70	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5017.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #71	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5080.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #72	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5091.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #73	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5091.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #74	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5086.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #75	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5123.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #76	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5068.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #77	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5136.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #78	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5078.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #79	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5076.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #8	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5127.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #80	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5065.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #81	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5166.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #82	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5154.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #83	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5144.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #84	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5137.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,3TMS,isomer #9	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5166.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #1	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5042.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #10	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4966.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #100	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5057.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #101	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5041.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #102	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4981.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #103	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4926.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #104	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4993.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #105	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5012.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #106	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5019.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #107	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5014.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #108	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[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	4969.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #109	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[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	4974.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #11	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5032.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #110	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[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	4962.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #111	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[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	5039.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #112	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4976.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #113	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4915.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #114	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4990.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #115	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4997.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #116	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5006.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #117	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4996.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #118	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4921.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #119	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4925.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #12	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5008.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #120	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4919.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #121	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4990.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #122	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4990.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #123	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4990.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #124	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4978.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #125	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=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	4966.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #126	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5041.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #13	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5053.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #14	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4988.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #15	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5052.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #16	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4988.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #17	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4919.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #18	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4995.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #19	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5010.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #2	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5086.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #20	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5017.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #21	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5003.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #22	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5094.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #23	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4970.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #24	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5024.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #25	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4971.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #26	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5028.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #27	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5018.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #28	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5068.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #29	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5019.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #3	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5002.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #30	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5076.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #31	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4956.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #32	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4904.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #33	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4968.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #34	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4994.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #35	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4998.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #36	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4994.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #37	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5004.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #38	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5045.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #39	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5004.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #4	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5044.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #40	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5055.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #41	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4955.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #42	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4896.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #43	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4958.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #44	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4991.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #45	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4996.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #46	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4990.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #47	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4972.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #48	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4912.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #49	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4974.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #5	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4982.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #50	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5003.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #51	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5011.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #52	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5003.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #53	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4929.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #54	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4934.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #55	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4924.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #56	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5011.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #57	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5070.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #58	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4964.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #59	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5008.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #6	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5049.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #60	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4940.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #61	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5014.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #62	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5034.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #63	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5066.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #64	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5007.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #65	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5071.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #66	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4971.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #67	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4912.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #68	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4981.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #69	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4994.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #7	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5079.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #70	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4997.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #71	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4986.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #72	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4998.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #73	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5039.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #74	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4991.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #75	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5049.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #76	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4930.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #77	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4870.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #78	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4945.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #79	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4960.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #8	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4990.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #80	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4964.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #81	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4959.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #82	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4988.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #83	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4934.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #84	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4994.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #85	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5016.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #86	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5022.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #87	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5016.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #88	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4922.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #89	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4927.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #9	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5030.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #90	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4915.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #91	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4998.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #92	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5027.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #93	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5068.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #94	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5007.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #95	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5073.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #96	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5031.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #97	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4962.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #98	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5040.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,4TMS,isomer #99	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5049.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,1TBDMS,isomer #1	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5608.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,1TBDMS,isomer #2	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5621.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,1TBDMS,isomer #3	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5627.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,1TBDMS,isomer #4	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5563.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,1TBDMS,isomer #5	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	5568.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,1TBDMS,isomer #6	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5604.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,1TBDMS,isomer #7	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5622.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,1TBDMS,isomer #8	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5607.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,1TBDMS,isomer #9	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5630.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #1	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5646.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #10	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5630.9	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #11	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5664.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #12	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	5624.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #13	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5628.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #14	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5602.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #15	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5648.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #16	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5676.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #17	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5641.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #18	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	5636.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #19	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5645.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #2	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5627.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #20	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5619.2	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #21	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5664.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #22	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5645.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #23	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	5608.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #24	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5605.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #25	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5597.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #26	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5624.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #27	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	5663.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #28	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5615.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #29	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5595.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #3	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5637.1	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #30	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5635.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #31	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5650.8	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #32	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5630.4	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #33	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5668.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #34	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	5633.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #35	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	5635.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #36	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5636.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #4	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5648.3	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #5	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	5609.5	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #6	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5616.7	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #7	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5593.6	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #8	CC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5637.0	Semi standard non polar	33892256
Kaempferol 3-rhamnoside 7-galacturonide,2TBDMS,isomer #9	CC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5666.2	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 7-galacturonide GC-MS (Non-derivatized) - 70eV, Positive	splash10-0007-6400190000-cdfdd2f95a527c7cbafa	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide 10V, Positive-QTOF	splash10-07ce-0120921000-ea0ba1e6c5782c22b780	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide 20V, Positive-QTOF	splash10-000i-0190500000-d53f2ef14e0859206680	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide 40V, Positive-QTOF	splash10-000i-1290100000-847d4aada03673eed2c3	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide 10V, Negative-QTOF	splash10-0bt9-2302945000-9c62951bd10bd524ef55	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide 20V, Negative-QTOF	splash10-03e9-1322920000-d1988d8895ce90fe84a7	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide 40V, Negative-QTOF	splash10-00o0-7495600000-42f6aa96e1ad6958a64e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide 10V, Positive-QTOF	splash10-053r-0000904000-300ae3e41c7e971fe411	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide 20V, Positive-QTOF	splash10-001i-0000901000-f91f2be4370d520bbd0f	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide 40V, Positive-QTOF	splash10-001i-0000900000-509ee28ef47ce2bd195a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide 10V, Negative-QTOF	splash10-0a4i-0000009000-0743745352f848eb493f	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide 20V, Negative-QTOF	splash10-0a59-0000509000-0e8142683b5f15f83872	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-rhamnoside 7-galacturonide 40V, Negative-QTOF	splash10-001i-0000901000-9f0720618c3c8386eb33	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB018873

KNApSAcK ID

C00005190

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

14309756

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 7-galacturonide (HMDB0039320)

MOL for HMDB0039320 (Kaempferol 3-rhamnoside 7-galacturonide)

3D MOL for HMDB0039320 (Kaempferol 3-rhamnoside 7-galacturonide)

3D SDF for HMDB0039320 (Kaempferol 3-rhamnoside 7-galacturonide)

3D-SDF for HMDB0039320 (Kaempferol 3-rhamnoside 7-galacturonide)

PDB for HMDB0039320 (Kaempferol 3-rhamnoside 7-galacturonide)

3D PDB for HMDB0039320 (Kaempferol 3-rhamnoside 7-galacturonide)

SMILES for HMDB0039320 (Kaempferol 3-rhamnoside 7-galacturonide)

INCHI for HMDB0039320 (Kaempferol 3-rhamnoside 7-galacturonide)

Structure for HMDB0039320 (Kaempferol 3-rhamnoside 7-galacturonide)

3D Structure for HMDB0039320 (Kaempferol 3-rhamnoside 7-galacturonide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra