Jump To Section:

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

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 22:49:54 UTC

Update Date

2022-03-07 02:55:24 UTC

HMDB ID

HMDB0037580

Secondary Accession Numbers

HMDB37580

Metabolite Identification

Common Name

Galangin 3-[galactosyl-(1->4)-rhamnoside]

Description

Galangin 3-[galactosyl-(1->4)-rhamnoside] belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Galangin 3-[galactosyl-(1->4)-rhamnoside] has been detected, but not quantified in, herbs and spices. This could make galangin 3-[galactosyl-(1->4)-rhamnoside] a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Galangin 3-[galactosyl-(1->4)-rhamnoside].

Structure

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

  Mrv0541 05061309522D          

 41 45  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
    4.2868    0.8250    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
    4.2868    0.0000    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
    3.5724   -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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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   -5.3625    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
    0.7145   -6.1875    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
    1.4289   -6.6000    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
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    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
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    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
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    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
    1.4289   -7.4250    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
    2.8579   -6.6000    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
    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   -4.9500    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
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
 10  1  1  0  0  0  0
 11  5  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
 15  9  1  0  0  0  0
 16 13  2  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 10  1  0  0  0  0
 23 20  1  0  0  0  0
 24 11  1  0  0  0  0
 25 18  1  0  0  0  0
 25 24  2  0  0  0  0
 26 22  1  0  0  0  0
 27 21  1  0  0  0  0
 28  9  1  0  0  0  0
 29 12  1  0  0  0  0
 30 13  1  0  0  0  0
 31 17  1  0  0  0  0
 32 18  2  0  0  0  0
 33 19  1  0  0  0  0
 34 20  1  0  0  0  0
 35 21  1  0  0  0  0
 36 22  1  0  0  0  0
 37 10  1  0  0  0  0
 37 26  1  0  0  0  0
 38 14  1  0  0  0  0
 38 24  1  0  0  0  0
 39 15  1  0  0  0  0
 39 27  1  0  0  0  0
 40 23  1  0  0  0  0
 40 27  1  0  0  0  0
 41 25  1  0  0  0  0
 41 26  1  0  0  0  0
M  END

HMDB0037580
     RDKit          3D
Galangin 3-[galactosyl-(1->4)-rhamnoside]
 71 75  0  0  0  0  0  0  0  0999 V2000
    1.5191    2.0358   -1.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8193    0.8466   -0.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3983    0.5784   -1.1560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1183   -0.2633   -0.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4082   -0.4856   -0.9078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5720   -0.4449   -0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2608    0.7214    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9071    2.0233   -0.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5002    3.1421    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2842    4.4151   -0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4644    4.6464   -1.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8709    3.5508   -2.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0996    2.2621   -1.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3602    0.6390    0.8005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7821   -0.4587    1.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9412   -0.4751    2.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4146   -1.6233    2.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5726   -1.6321    3.5207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7469   -2.8188    2.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6086   -2.8162    1.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9175   -3.9972    1.5998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1310   -1.6587    1.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9940   -1.6546    0.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3909   -2.7417    0.2657 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4008   -1.5702   -0.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4101   -2.3588   -1.1970 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0221   -1.3406    0.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6778   -2.5684    0.3405 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6916   -0.3958   -0.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9563   -0.0480   -0.2519 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9480   -0.4105   -1.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7694   -1.3232   -0.4174 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5285   -0.5869    0.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0710   -1.4661    1.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0507   -2.0875    2.3046 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6730    0.1569   -0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9039   -0.4020    0.0522 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2865    0.1970   -1.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0880    1.1310   -2.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8293    0.7002   -1.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8701    1.8088   -0.7731 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172    2.8671   -1.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2277    2.3992   -0.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1266    1.7676   -2.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6027    1.0959    0.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3214    0.2281    0.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1522    2.9971    0.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7626    5.2597    0.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2746    5.6397   -1.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2215    3.6994   -2.9378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6517    1.4272   -2.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4754    0.4551    2.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5619   -1.4732    4.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1181   -3.7177    3.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2648   -4.8355    2.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9294   -2.0283    0.8134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3495   -2.9715   -1.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0484   -0.8973    1.3970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -2.9386    1.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6081   -0.8918   -1.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5948   -0.9498   -2.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8215    0.1473    0.9652 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7428   -2.2631    1.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7324   -0.8406    2.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5366   -1.3846    2.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6166    1.2366    0.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1378   -1.1178   -0.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3371   -0.8181   -2.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1173    1.0410   -3.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5850    1.0033   -2.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7069    2.6369   -1.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  7 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  2  0
  4 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 33 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 29  2  1  0
 40 31  1  0
 23  6  1  0
 13  8  1  0
 22 15  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  2 45  1  0
  4 46  1  0
  9 47  1  0
 10 48  1  0
 11 49  1  0
 12 50  1  0
 13 51  1  0
 16 52  1  0
 18 53  1  0
 19 54  1  0
 21 55  1  0
 25 56  1  0
 26 57  1  0
 27 58  1  0
 28 59  1  0
 29 60  1  0
 31 61  1  0
 33 62  1  0
 34 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 38 68  1  0
 39 69  1  0
 40 70  1  0
 41 71  1  0
M  END

  Mrv0541 05061309522D          

 41 45  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
    4.2868    0.8250    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
    4.2868    0.0000    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
    3.5724   -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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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   -5.3625    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
    0.7145   -6.1875    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
    1.4289   -6.6000    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
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    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
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    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
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    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
    1.4289   -7.4250    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
    2.8579   -6.6000    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
    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   -4.9500    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
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
 10  1  1  0  0  0  0
 11  5  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
 15  9  1  0  0  0  0
 16 13  2  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 10  1  0  0  0  0
 23 20  1  0  0  0  0
 24 11  1  0  0  0  0
 25 18  1  0  0  0  0
 25 24  2  0  0  0  0
 26 22  1  0  0  0  0
 27 21  1  0  0  0  0
 28  9  1  0  0  0  0
 29 12  1  0  0  0  0
 30 13  1  0  0  0  0
 31 17  1  0  0  0  0
 32 18  2  0  0  0  0
 33 19  1  0  0  0  0
 34 20  1  0  0  0  0
 35 21  1  0  0  0  0
 36 22  1  0  0  0  0
 37 10  1  0  0  0  0
 37 26  1  0  0  0  0
 38 14  1  0  0  0  0
 38 24  1  0  0  0  0
 39 15  1  0  0  0  0
 39 27  1  0  0  0  0
 40 23  1  0  0  0  0
 40 27  1  0  0  0  0
 41 25  1  0  0  0  0
 41 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037580

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=CC=C2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H30O14/c1-10-23(40-27-21(35)19(33)17(31)15(9-28)39-27)20(34)22(36)26(37-10)41-25-18(32)16-13(30)7-12(29)8-14(16)38-24(25)11-5-3-2-4-6-11/h2-8,10,15,17,19-23,26-31,33-36H,9H2,1H3

> <INCHI_KEY>
OUUQNKHDCPSYJE-UHFFFAOYSA-N

> <FORMULA>
C27H30O14

> <MOLECULAR_WEIGHT>
578.5187

> <EXACT_MASS>
578.163555668

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
56.583956365029294

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
0.13

> <JCHEM_LOGP>
-0.2616303316666658

> <ALOGPS_LOGS>
-2.31

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.107423529539656

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.437294380375664

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810835652577543

> <JCHEM_POLAR_SURFACE_AREA>
225.05999999999995

> <JCHEM_REFRACTIVITY>
136.18329999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.85e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5,7-dihydroxy-2-phenylchromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037580
     RDKit          3D
Galangin 3-[galactosyl-(1->4)-rhamnoside]
 71 75  0  0  0  0  0  0  0  0999 V2000
    1.5191    2.0358   -1.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8193    0.8466   -0.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3983    0.5784   -1.1560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1183   -0.2633   -0.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4082   -0.4856   -0.9078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5720   -0.4449   -0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2608    0.7214    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9071    2.0233   -0.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5002    3.1421    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2842    4.4151   -0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4644    4.6464   -1.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8709    3.5508   -2.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0996    2.2621   -1.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3602    0.6390    0.8005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7821   -0.4587    1.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9412   -0.4751    2.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4146   -1.6233    2.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5726   -1.6321    3.5207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7469   -2.8188    2.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6086   -2.8162    1.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9175   -3.9972    1.5998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1310   -1.6587    1.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9940   -1.6546    0.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3909   -2.7417    0.2657 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4008   -1.5702   -0.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4101   -2.3588   -1.1970 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0221   -1.3406    0.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6778   -2.5684    0.3405 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6916   -0.3958   -0.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9563   -0.0480   -0.2519 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9480   -0.4105   -1.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7694   -1.3232   -0.4174 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5285   -0.5869    0.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0710   -1.4661    1.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0507   -2.0875    2.3046 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6730    0.1569   -0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9039   -0.4020    0.0522 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2865    0.1970   -1.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0880    1.1310   -2.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8293    0.7002   -1.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8701    1.8088   -0.7731 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172    2.8671   -1.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2277    2.3992   -0.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1266    1.7676   -2.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6027    1.0959    0.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3214    0.2281    0.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1522    2.9971    0.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7626    5.2597    0.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2746    5.6397   -1.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2215    3.6994   -2.9378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6517    1.4272   -2.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4754    0.4551    2.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5619   -1.4732    4.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1181   -3.7177    3.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2648   -4.8355    2.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9294   -2.0283    0.8134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3495   -2.9715   -1.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0484   -0.8973    1.3970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -2.9386    1.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6081   -0.8918   -1.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5948   -0.9498   -2.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8215    0.1473    0.9652 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7428   -2.2631    1.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7324   -0.8406    2.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5366   -1.3846    2.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6166    1.2366    0.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1378   -1.1178   -0.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3371   -0.8181   -2.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1173    1.0410   -3.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5850    1.0033   -2.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7069    2.6369   -1.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  7 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  2  0
  4 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 33 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 29  2  1  0
 40 31  1  0
 23  6  1  0
 13  8  1  0
 22 15  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  2 45  1  0
  4 46  1  0
  9 47  1  0
 10 48  1  0
 11 49  1  0
 12 50  1  0
 13 51  1  0
 16 52  1  0
 18 53  1  0
 19 54  1  0
 21 55  1  0
 25 56  1  0
 26 57  1  0
 27 58  1  0
 28 59  1  0
 29 60  1  0
 31 61  1  0
 33 62  1  0
 34 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 38 68  1  0
 39 69  1  0
 40 70  1  0
 41 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       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668   2.310   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       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.001  -2.310   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       4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -1.334 -10.010   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       0.000 -12.320   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       2.667 -13.860   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       5.335 -12.320   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       8.002  -4.620   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
CONECT    1   10                                                            
CONECT    2    3    4                                                       
CONECT    3    2    5                                                       
CONECT    4    2    6                                                       
CONECT    5    3   11                                                       
CONECT    6    4   11                                                       
CONECT    7   12   13                                                       
CONECT    8   12   14                                                       
CONECT    9   15   28                                                       
CONECT   10    1   23   37                                                  
CONECT   11    5    6   24                                                  
CONECT   12    7    8   29                                                  
CONECT   13    7   16   30                                                  
CONECT   14    8   16   38                                                  
CONECT   15    9   17   39                                                  
CONECT   16   13   14   18                                                  
CONECT   17   15   19   31                                                  
CONECT   18   16   25   32                                                  
CONECT   19   17   21   33                                                  
CONECT   20   22   23   34                                                  
CONECT   21   19   27   35                                                  
CONECT   22   20   26   36                                                  
CONECT   23   10   20   40                                                  
CONECT   24   11   25   38                                                  
CONECT   25   18   24   41                                                  
CONECT   26   22   37   41                                                  
CONECT   27   21   39   40                                                  
CONECT   28    9                                                            
CONECT   29   12                                                            
CONECT   30   13                                                            
CONECT   31   17                                                            
CONECT   32   18                                                            
CONECT   33   19                                                            
CONECT   34   20                                                            
CONECT   35   21                                                            
CONECT   36   22                                                            
CONECT   37   10   26                                                       
CONECT   38   14   24                                                       
CONECT   39   15   27                                                       
CONECT   40   23   27                                                       
CONECT   41   25   26                                                       
MASTER        0    0    0    0    0    0    0    0   41    0   90    0
END

COMPND    HMDB0037580
HETATM    1  C1  UNL     1       1.519   2.036  -1.149  1.00  0.00           C  
HETATM    2  C2  UNL     1       0.819   0.847  -0.594  1.00  0.00           C  
HETATM    3  O1  UNL     1      -0.398   0.578  -1.156  1.00  0.00           O  
HETATM    4  C3  UNL     1      -1.118  -0.263  -0.337  1.00  0.00           C  
HETATM    5  O2  UNL     1      -2.408  -0.486  -0.908  1.00  0.00           O  
HETATM    6  C4  UNL     1      -3.572  -0.445  -0.149  1.00  0.00           C  
HETATM    7  C5  UNL     1      -4.261   0.721   0.035  1.00  0.00           C  
HETATM    8  C6  UNL     1      -3.907   2.023  -0.520  1.00  0.00           C  
HETATM    9  C7  UNL     1      -4.500   3.142   0.058  1.00  0.00           C  
HETATM   10  C8  UNL     1      -4.284   4.415  -0.419  1.00  0.00           C  
HETATM   11  C9  UNL     1      -3.464   4.646  -1.501  1.00  0.00           C  
HETATM   12  C10 UNL     1      -2.871   3.551  -2.086  1.00  0.00           C  
HETATM   13  C11 UNL     1      -3.100   2.262  -1.591  1.00  0.00           C  
HETATM   14  O3  UNL     1      -5.360   0.639   0.800  1.00  0.00           O  
HETATM   15  C12 UNL     1      -5.782  -0.459   1.349  1.00  0.00           C  
HETATM   16  C13 UNL     1      -6.941  -0.475   2.139  1.00  0.00           C  
HETATM   17  C14 UNL     1      -7.415  -1.623   2.732  1.00  0.00           C  
HETATM   18  O4  UNL     1      -8.573  -1.632   3.521  1.00  0.00           O  
HETATM   19  C15 UNL     1      -6.747  -2.819   2.563  1.00  0.00           C  
HETATM   20  C16 UNL     1      -5.609  -2.816   1.790  1.00  0.00           C  
HETATM   21  O5  UNL     1      -4.918  -3.997   1.600  1.00  0.00           O  
HETATM   22  C17 UNL     1      -5.131  -1.659   1.192  1.00  0.00           C  
HETATM   23  C18 UNL     1      -3.994  -1.655   0.422  1.00  0.00           C  
HETATM   24  O6  UNL     1      -3.391  -2.742   0.266  1.00  0.00           O  
HETATM   25  C19 UNL     1      -0.401  -1.570  -0.079  1.00  0.00           C  
HETATM   26  O7  UNL     1      -0.410  -2.359  -1.197  1.00  0.00           O  
HETATM   27  C20 UNL     1       1.022  -1.341   0.373  1.00  0.00           C  
HETATM   28  O8  UNL     1       1.678  -2.568   0.341  1.00  0.00           O  
HETATM   29  C21 UNL     1       1.692  -0.396  -0.625  1.00  0.00           C  
HETATM   30  O9  UNL     1       2.956  -0.048  -0.252  1.00  0.00           O  
HETATM   31  C22 UNL     1       3.948  -0.411  -1.120  1.00  0.00           C  
HETATM   32  O10 UNL     1       4.769  -1.323  -0.417  1.00  0.00           O  
HETATM   33  C23 UNL     1       5.528  -0.587   0.504  1.00  0.00           C  
HETATM   34  C24 UNL     1       6.071  -1.466   1.598  1.00  0.00           C  
HETATM   35  O11 UNL     1       5.051  -2.088   2.305  1.00  0.00           O  
HETATM   36  C25 UNL     1       6.673   0.157  -0.170  1.00  0.00           C  
HETATM   37  O12 UNL     1       7.904  -0.402   0.052  1.00  0.00           O  
HETATM   38  C26 UNL     1       6.287   0.197  -1.657  1.00  0.00           C  
HETATM   39  O13 UNL     1       7.088   1.131  -2.266  1.00  0.00           O  
HETATM   40  C27 UNL     1       4.829   0.700  -1.617  1.00  0.00           C  
HETATM   41  O14 UNL     1       4.870   1.809  -0.773  1.00  0.00           O  
HETATM   42  H1  UNL     1       0.817   2.867  -1.356  1.00  0.00           H  
HETATM   43  H2  UNL     1       2.228   2.399  -0.360  1.00  0.00           H  
HETATM   44  H3  UNL     1       2.127   1.768  -2.022  1.00  0.00           H  
HETATM   45  H4  UNL     1       0.603   1.096   0.494  1.00  0.00           H  
HETATM   46  H5  UNL     1      -1.321   0.228   0.651  1.00  0.00           H  
HETATM   47  H6  UNL     1      -5.152   2.997   0.914  1.00  0.00           H  
HETATM   48  H7  UNL     1      -4.763   5.260   0.061  1.00  0.00           H  
HETATM   49  H8  UNL     1      -3.275   5.640  -1.900  1.00  0.00           H  
HETATM   50  H9  UNL     1      -2.221   3.699  -2.938  1.00  0.00           H  
HETATM   51  H10 UNL     1      -2.652   1.427  -2.098  1.00  0.00           H  
HETATM   52  H11 UNL     1      -7.475   0.455   2.281  1.00  0.00           H  
HETATM   53  H12 UNL     1      -8.562  -1.473   4.523  1.00  0.00           H  
HETATM   54  H13 UNL     1      -7.118  -3.718   3.026  1.00  0.00           H  
HETATM   55  H14 UNL     1      -5.265  -4.835   2.034  1.00  0.00           H  
HETATM   56  H15 UNL     1      -0.929  -2.028   0.813  1.00  0.00           H  
HETATM   57  H16 UNL     1       0.350  -2.971  -1.253  1.00  0.00           H  
HETATM   58  H17 UNL     1       1.048  -0.897   1.397  1.00  0.00           H  
HETATM   59  H18 UNL     1       1.875  -2.939   1.233  1.00  0.00           H  
HETATM   60  H19 UNL     1       1.608  -0.892  -1.593  1.00  0.00           H  
HETATM   61  H20 UNL     1       3.595  -0.950  -2.016  1.00  0.00           H  
HETATM   62  H21 UNL     1       4.822   0.147   0.965  1.00  0.00           H  
HETATM   63  H22 UNL     1       6.743  -2.263   1.181  1.00  0.00           H  
HETATM   64  H23 UNL     1       6.732  -0.841   2.249  1.00  0.00           H  
HETATM   65  H24 UNL     1       4.537  -1.385   2.776  1.00  0.00           H  
HETATM   66  H25 UNL     1       6.617   1.237   0.144  1.00  0.00           H  
HETATM   67  H26 UNL     1       8.138  -1.118  -0.574  1.00  0.00           H  
HETATM   68  H27 UNL     1       6.337  -0.818  -2.079  1.00  0.00           H  
HETATM   69  H28 UNL     1       7.117   1.041  -3.249  1.00  0.00           H  
HETATM   70  H29 UNL     1       4.585   1.003  -2.658  1.00  0.00           H  
HETATM   71  H30 UNL     1       4.707   2.637  -1.251  1.00  0.00           H  
CONECT    1    2   42   43   44
CONECT    2    3   29   45
CONECT    3    4
CONECT    4    5   25   46
CONECT    5    6
CONECT    6    7    7   23
CONECT    7    8   14
CONECT    8    9    9   13
CONECT    9   10   47
CONECT   10   11   11   48
CONECT   11   12   49
CONECT   12   13   13   50
CONECT   13   51
CONECT   14   15
CONECT   15   16   16   22
CONECT   16   17   52
CONECT   17   18   19   19
CONECT   18   53
CONECT   19   20   54
CONECT   20   21   22   22
CONECT   21   55
CONECT   22   23
CONECT   23   24   24
CONECT   25   26   27   56
CONECT   26   57
CONECT   27   28   29   58
CONECT   28   59
CONECT   29   30   60
CONECT   30   31
CONECT   31   32   40   61
CONECT   32   33
CONECT   33   34   36   62
CONECT   34   35   63   64
CONECT   35   65
CONECT   36   37   38   66
CONECT   37   67
CONECT   38   39   40   68
CONECT   39   69
CONECT   40   41   70
CONECT   41   71
END

HMDB0037580
     RDKit          3D
Galangin 3-[galactosyl-(1->4)-rhamnoside]
 71 75  0  0  0  0  0  0  0  0999 V2000
    1.5191    2.0358   -1.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8193    0.8466   -0.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3983    0.5784   -1.1560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1183   -0.2633   -0.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4082   -0.4856   -0.9078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5720   -0.4449   -0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2608    0.7214    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9071    2.0233   -0.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5002    3.1421    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2842    4.4151   -0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4644    4.6464   -1.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8709    3.5508   -2.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0996    2.2621   -1.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3602    0.6390    0.8005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7821   -0.4587    1.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9412   -0.4751    2.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4146   -1.6233    2.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5726   -1.6321    3.5207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7469   -2.8188    2.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6086   -2.8162    1.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9175   -3.9972    1.5998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1310   -1.6587    1.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9940   -1.6546    0.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3909   -2.7417    0.2657 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4008   -1.5702   -0.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4101   -2.3588   -1.1970 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0221   -1.3406    0.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6778   -2.5684    0.3405 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6916   -0.3958   -0.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9563   -0.0480   -0.2519 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9480   -0.4105   -1.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7694   -1.3232   -0.4174 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5285   -0.5869    0.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0710   -1.4661    1.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0507   -2.0875    2.3046 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6730    0.1569   -0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9039   -0.4020    0.0522 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2865    0.1970   -1.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0880    1.1310   -2.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8293    0.7002   -1.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8701    1.8088   -0.7731 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172    2.8671   -1.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2277    2.3992   -0.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1266    1.7676   -2.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6027    1.0959    0.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3214    0.2281    0.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1522    2.9971    0.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7626    5.2597    0.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2746    5.6397   -1.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2215    3.6994   -2.9378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6517    1.4272   -2.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4754    0.4551    2.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5619   -1.4732    4.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1181   -3.7177    3.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2648   -4.8355    2.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9294   -2.0283    0.8134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3495   -2.9715   -1.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0484   -0.8973    1.3970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -2.9386    1.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6081   -0.8918   -1.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5948   -0.9498   -2.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8215    0.1473    0.9652 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7428   -2.2631    1.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7324   -0.8406    2.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5366   -1.3846    2.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6166    1.2366    0.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1378   -1.1178   -0.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3371   -0.8181   -2.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1173    1.0410   -3.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5850    1.0033   -2.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7069    2.6369   -1.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  7 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  2  0
  4 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 33 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 29  2  1  0
 40 31  1  0
 23  6  1  0
 13  8  1  0
 22 15  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  2 45  1  0
  4 46  1  0
  9 47  1  0
 10 48  1  0
 11 49  1  0
 12 50  1  0
 13 51  1  0
 16 52  1  0
 18 53  1  0
 19 54  1  0
 21 55  1  0
 25 56  1  0
 26 57  1  0
 27 58  1  0
 28 59  1  0
 29 60  1  0
 31 61  1  0
 33 62  1  0
 34 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 38 68  1  0
 39 69  1  0
 40 70  1  0
 41 71  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
3,5,7-Trihydroxyflavone	HMDB
Galangin 3-galactosyl-(1->4)-rhamnoside	HMDB

Chemical Formula

C₂₇H₃₀O₁₄

Average Molecular Weight

578.5187

Monoisotopic Molecular Weight

578.163555668

IUPAC Name

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

Traditional Name

3-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5,7-dihydroxy-2-phenylchromen-4-one

CAS Registry Number

73030-72-5

SMILES

CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=CC=C2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

InChI Identifier

InChI=1S/C27H30O14/c1-10-23(40-27-21(35)19(33)17(31)15(9-28)39-27)20(34)22(36)26(37-10)41-25-18(32)16-13(30)7-12(29)8-14(16)38-24(25)11-5-3-2-4-6-11/h2-8,10,15,17,19-23,26-31,33-36H,9H2,1H3

InChI Key

OUUQNKHDCPSYJE-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-3-O-glycosides

Alternative Parents

Substituents

Flavonoid-3-o-glycoside
Hydroxyflavonoid
Flavone
5-hydroxyflavonoid
7-hydroxyflavonoid
O-glycosyl compound
Glycosyl compound
Disaccharide
Chromone
1-benzopyran
Benzopyran
Pyranone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
Pyran
Oxane
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Acetal
Oxacycle
Organoheterocyclic compound
Polyol
Organic oxide
Hydrocarbon derivative
Organic oxygen compound
Primary alcohol
Alcohol
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: HMDB0037580)
Cytoplasm (HMDB: HMDB0037580)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037580)

Source

Exogenous

Exogenous (HMDB: HMDB0037580)

Food

Food (HMDB: HMDB0037580)

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Endogenous

Plant

Plant (HMDB: HMDB0037580)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0037580)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	85 - 87 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2.85 g/L	ALOGPS
logP	0.13	ALOGPS
logP	-0.26	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	6.44	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	225.06 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	136.18 m³·mol⁻¹	ChemAxon
Polarizability	56.58 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	220.628	30932474
DeepCCS	[M-H]-	218.232	30932474
DeepCCS	[M-2H]-	251.262	30932474
DeepCCS	[M+Na]+	226.518	30932474
AllCCS	[M+H]+	228.8	32859911
AllCCS	[M+H-H2O]+	227.4	32859911
AllCCS	[M+NH4]+	230.1	32859911
AllCCS	[M+Na]+	230.5	32859911
AllCCS	[M-H]-	222.4	32859911
AllCCS	[M+Na-2H]-	224.3	32859911
AllCCS	[M+HCOO]-	226.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Galangin 3-[galactosyl-(1->4)-rhamnoside]	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=CC=C2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	5306.2	Standard polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside]	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=CC=C2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	4891.8	Standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside]	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=CC=C2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	5268.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Galangin 3-[galactosyl-(1->4)-rhamnoside],1TMS,isomer #1	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	4933.8	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],1TMS,isomer #2	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	4913.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],1TMS,isomer #3	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O)C1O	4926.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],1TMS,isomer #4	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	4917.8	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],1TMS,isomer #5	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	4903.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],1TMS,isomer #6	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4899.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],1TMS,isomer #7	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4883.3	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],1TMS,isomer #8	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4892.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #1	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	4785.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #10	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	4757.3	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #11	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4769.6	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #12	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4725.1	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #13	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4756.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #14	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	4823.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #15	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	4772.8	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #16	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4787.1	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #17	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4765.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #18	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4779.1	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #19	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	4768.3	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #2	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O)C1O	4809.8	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #20	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4779.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #21	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4753.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #22	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4768.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #23	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4784.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #24	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4755.3	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #25	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4769.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #26	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4779.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #27	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4766.5	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #28	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4780.1	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #3	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	4794.5	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #4	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	4790.6	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #5	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4801.5	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #6	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4762.5	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #7	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4793.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #8	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O)C1O	4781.1	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TMS,isomer #9	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	4768.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #1	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O)C1O	4643.9	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #10	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4643.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #11	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4661.7	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #12	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	4651.1	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #13	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4674.8	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #14	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4623.8	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #15	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4648.6	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #16	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4674.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #17	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4638.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #18	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4651.9	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #19	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4673.3	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #2	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	4630.1	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #20	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4655.1	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #21	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4664.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #22	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	4667.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #23	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	4605.5	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #24	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4629.1	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #25	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4581.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #26	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4598.6	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #27	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	4596.7	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #28	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4614.9	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #29	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4564.5	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #3	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	4611.1	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #30	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4583.8	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #31	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4619.6	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #32	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4576.3	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #33	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4591.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #34	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4610.5	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #35	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4592.3	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #36	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4599.6	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #37	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	4683.3	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #38	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4700.6	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #39	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4667.3	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #4	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4638.3	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #40	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4674.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #41	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4662.7	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #42	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4632.3	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #43	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4633.8	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #44	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4660.8	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #45	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4641.3	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #46	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4652.1	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #47	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4660.5	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #48	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4629.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #49	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4634.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #5	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4576.7	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #50	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4653.8	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #51	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4635.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #52	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4646.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #53	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4662.9	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #54	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4649.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #55	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4645.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #56	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4664.9	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #6	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4606.8	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #7	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	4715.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #8	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	4659.6	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],3TMS,isomer #9	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4686.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #1	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	4568.7	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #10	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4525.1	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #11	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4480.9	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #12	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4495.5	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #13	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4516.6	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #14	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4504.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #15	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4497.7	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #16	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	4599.5	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #17	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4623.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #18	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4565.3	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #19	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4592.9	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #2	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	4507.5	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #20	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4584.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #21	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4531.3	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #22	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4557.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #23	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4573.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #24	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4564.3	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #25	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4559.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #26	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4568.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #27	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4515.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #28	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4540.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #29	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4555.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #3	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4547.1	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #30	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4544.7	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #31	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4540.9	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #32	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4569.7	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #33	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4557.8	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #34	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4552.8	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #35	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4576.1	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #36	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	4547.1	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #37	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4573.5	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #38	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4517.1	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #39	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4538.3	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #4	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4490.5	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #40	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4534.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #41	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4482.6	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #42	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4504.9	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #43	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4524.9	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #44	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4515.6	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #45	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4507.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #46	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4521.9	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #47	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4471.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #48	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4489.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #49	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4512.6	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #5	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4509.8	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #50	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4499.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #51	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4491.1	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #52	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4518.3	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #53	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4508.6	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #54	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4500.5	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #55	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4524.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #56	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4613.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #57	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4574.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #58	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4585.1	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #59	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4602.6	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #6	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	4491.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #60	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4590.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #61	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4588.5	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #62	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4588.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #63	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4577.5	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #64	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4569.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #65	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4577.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #66	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4575.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #67	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4561.6	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #68	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4553.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #69	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4564.8	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #7	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4528.7	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #70	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4579.7	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #8	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4479.1	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],4TMS,isomer #9	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4487.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],1TBDMS,isomer #1	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	5123.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],1TBDMS,isomer #2	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	5092.6	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],1TBDMS,isomer #3	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(CO)C(O)C(O)C1O	5141.6	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],1TBDMS,isomer #4	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	5130.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],1TBDMS,isomer #5	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5100.3	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],1TBDMS,isomer #6	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5120.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],1TBDMS,isomer #7	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5098.6	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],1TBDMS,isomer #8	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5102.1	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #1	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	5149.8	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #10	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5110.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #11	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5141.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #12	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5099.9	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #13	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5104.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #14	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	5201.3	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #15	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5138.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #16	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5165.7	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #17	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5136.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #18	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5124.8	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #19	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5135.5	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #2	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(CO)C(O)C(O)C1O	5189.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #20	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5161.5	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #21	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5131.3	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #22	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5117.3	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #23	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5136.2	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #24	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5124.1	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #25	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5104.7	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #26	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	5130.8	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #27	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	5116.8	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #28	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5124.9	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #3	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	5178.3	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #4	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5151.9	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #5	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5170.4	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #6	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5132.7	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #7	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5133.7	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #8	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(CO)C(O)C(O)C1O	5156.0	Semi standard non polar	33892256
Galangin 3-[galactosyl-(1->4)-rhamnoside],2TBDMS,isomer #9	CC1OC(OC2=C(C3=CC=CC=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	5147.3	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 - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (Non-derivatized) - 70eV, Positive	splash10-08fs-6655090000-ec4d10f9db52770d2304	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (1 TMS) - 70eV, Positive	splash10-0089-7632219000-94429bf9cab8568997c7	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS ("Galangin 3-[galactosyl-(1->4)-rhamnoside],1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] 10V, Positive-QTOF	splash10-00di-0193460000-4f7ec0e7a8d4c7631d4d	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] 20V, Positive-QTOF	splash10-00di-0191100000-2470cc35f7c86772d5a7	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] 40V, Positive-QTOF	splash10-0fk9-1690000000-a7f381e60ce7219d48e4	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] 10V, Negative-QTOF	splash10-016r-2382490000-36977e5914cf825773a0	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] 20V, Negative-QTOF	splash10-014i-1291210000-068e55cddacd823ae1ba	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] 40V, Negative-QTOF	splash10-014i-2490000000-f29adb541e018011e57e	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] 10V, Negative-QTOF	splash10-004i-0000090000-676fc65f74532a04e90e	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] 20V, Negative-QTOF	splash10-004i-0300090000-96c029a814b76098cfc0	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] 40V, Negative-QTOF	splash10-0fwi-3900010000-7c87f325f09f8e111277	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] 10V, Positive-QTOF	splash10-004i-0000090000-ed76a1e0332f66700602	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] 20V, Positive-QTOF	splash10-004i-0000090000-7872b3d256b006c1a8a7	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galangin 3-[galactosyl-(1->4)-rhamnoside] 40V, Positive-QTOF	splash10-0ufr-1900130000-a21399fab253200514e2	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
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, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 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
Predicted 1D NMR	¹³C 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

FDB016682

KNApSAcK ID

C00005124

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

74977992

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 Galangin 3-[galactosyl-(1->4)-rhamnoside] (HMDB0037580)

MOL for HMDB0037580 (Galangin 3-[galactosyl-(1->4)-rhamnoside])

3D MOL for HMDB0037580 (Galangin 3-[galactosyl-(1->4)-rhamnoside])

3D SDF for HMDB0037580 (Galangin 3-[galactosyl-(1->4)-rhamnoside])

3D-SDF for HMDB0037580 (Galangin 3-[galactosyl-(1->4)-rhamnoside])

PDB for HMDB0037580 (Galangin 3-[galactosyl-(1->4)-rhamnoside])

3D PDB for HMDB0037580 (Galangin 3-[galactosyl-(1->4)-rhamnoside])

SMILES for HMDB0037580 (Galangin 3-[galactosyl-(1->4)-rhamnoside])

INCHI for HMDB0037580 (Galangin 3-[galactosyl-(1->4)-rhamnoside])

Structure for HMDB0037580 (Galangin 3-[galactosyl-(1->4)-rhamnoside])

3D Structure for HMDB0037580 (Galangin 3-[galactosyl-(1->4)-rhamnoside])

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra