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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 02:01:33 UTC

Update Date

2022-03-07 02:56:36 UTC

HMDB ID

HMDB0040478

Secondary Accession Numbers

HMDB40478

Metabolite Identification

Common Name

6-Hydroxykaempferol 3-glucoside

Description

6-Hydroxykaempferol 3-glucoside 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. 6-Hydroxykaempferol 3-glucoside has been detected, but not quantified in, a few different foods, such as fats and oils, herbs and spices, and safflowers (Carthamus tinctorius). This could make 6-hydroxykaempferol 3-glucoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 6-Hydroxykaempferol 3-glucoside.

Structure

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


  Mrv0541 05061311522D          

 33 36  0  0  0  0            999 V2000
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    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
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    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
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   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
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    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
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    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  1  1  0  0  0  0
  4  2  2  0  0  0  0
  7  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  2  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 15 13  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19  7  1  0  0  0  0
 20 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22  6  1  0  0  0  0
 23  8  1  0  0  0  0
 24  9  1  0  0  0  0
 25 13  1  0  0  0  0
 26 14  1  0  0  0  0
 27 15  1  0  0  0  0
 28 16  2  0  0  0  0
 29 17  1  0  0  0  0
 30 18  1  0  0  0  0
 31 10  1  0  0  0  0
 31 19  1  0  0  0  0
 32 11  1  0  0  0  0
 32 21  1  0  0  0  0
 33 20  1  0  0  0  0
 33 21  1  0  0  0  0
M  END

HMDB0040478
     RDKit          3D
6-Hydroxykaempferol 3-glucoside
 53 56  0  0  0  0  0  0  0  0999 V2000
   -0.0065   -2.7355   -0.7965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9152   -1.8747   -0.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6174   -0.5238   -0.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7046   -0.1383   -0.6151 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6407   -0.1044    0.4781 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3014    1.0686    0.5682 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4462    1.2631   -0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3391    1.9611   -1.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8294    3.2518   -1.3413 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3041    0.0231   -0.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6499    0.3148   -0.2784 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9174   -0.9293    0.8625 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8550   -0.1741    2.0174 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4880   -1.3541    0.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9972   -2.2447    1.4437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6032    0.3653   -0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4317    1.8157   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4669    2.5251    0.5989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4418    3.8929    0.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3680    4.6159    0.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3690    6.0195    0.4110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3397    3.9504   -0.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3876    2.5545   -0.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8327   -0.1388    0.0464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1676   -1.3701   -0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4785   -1.7682    0.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8339   -3.0988    0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1343   -3.5436    0.2887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8740   -4.0437   -0.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1582   -5.3940   -0.3047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5581   -3.6354   -0.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5684   -4.5485   -0.7050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2052   -2.3037   -0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9831   -0.1974    1.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0833    1.9472    0.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7515    1.4016   -2.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3573    2.0739   -1.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5786    3.8406   -1.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0646   -0.5133   -1.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1513   -0.5212   -0.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5962   -1.7824    0.9194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5308   -0.4853    2.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5589   -1.8745   -0.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1557   -1.8897    1.8253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3531    2.0126    0.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2398    4.4550    1.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7859    6.5206   -0.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4893    4.5183   -0.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4089    2.0639   -0.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2626   -1.0637    0.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9018   -2.9161    0.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0809   -5.7738   -0.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8003   -5.5141   -0.7718 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  3 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 16 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  2  0
 33  2  1  0
 14  5  1  0
 23 17  1  0
 33 25  1  0
  5 34  1  0
  7 35  1  0
  8 36  1  0
  8 37  1  0
  9 38  1  0
 10 39  1  0
 11 40  1  0
 12 41  1  0
 13 42  1  0
 14 43  1  0
 15 44  1  0
 18 45  1  0
 19 46  1  0
 21 47  1  0
 22 48  1  0
 23 49  1  0
 26 50  1  0
 28 51  1  0
 30 52  1  0
 32 53  1  0
M  END


  Mrv0541 05061311522D          

 33 36  0  0  0  0            999 V2000
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    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
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    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
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   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
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    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
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    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  1  1  0  0  0  0
  4  2  2  0  0  0  0
  7  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  2  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 15 13  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19  7  1  0  0  0  0
 20 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22  6  1  0  0  0  0
 23  8  1  0  0  0  0
 24  9  1  0  0  0  0
 25 13  1  0  0  0  0
 26 14  1  0  0  0  0
 27 15  1  0  0  0  0
 28 16  2  0  0  0  0
 29 17  1  0  0  0  0
 30 18  1  0  0  0  0
 31 10  1  0  0  0  0
 31 19  1  0  0  0  0
 32 11  1  0  0  0  0
 32 21  1  0  0  0  0
 33 20  1  0  0  0  0
 33 21  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0040478

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=C(OC3=C(C(O)=C(O)C(O)=C3)C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H20O12/c22-6-11-14(26)17(29)18(30)21(32-11)33-20-16(28)12-10(5-9(24)13(25)15(12)27)31-19(20)7-1-3-8(23)4-2-7/h1-5,11,14,17-18,21-27,29-30H,6H2

> <INCHI_KEY>
DIYGQKBUNSAYQA-UHFFFAOYSA-N

> <FORMULA>
C21H20O12

> <MOLECULAR_WEIGHT>
464.3763

> <EXACT_MASS>
464.095476104

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
43.508034198117244

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
0.53

> <JCHEM_LOGP>
-0.14483529600000053

> <ALOGPS_LOGS>
-2.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.46960063632897

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.6102442475292165

> <JCHEM_PKA_STRONGEST_BASIC>
-2.98109237118166

> <JCHEM_POLAR_SURFACE_AREA>
206.59999999999997

> <JCHEM_REFRACTIVITY>
109.2755

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.46e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0040478
     RDKit          3D
6-Hydroxykaempferol 3-glucoside
 53 56  0  0  0  0  0  0  0  0999 V2000
   -0.0065   -2.7355   -0.7965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9152   -1.8747   -0.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6174   -0.5238   -0.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7046   -0.1383   -0.6151 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6407   -0.1044    0.4781 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3014    1.0686    0.5682 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4462    1.2631   -0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3391    1.9611   -1.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8294    3.2518   -1.3413 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3041    0.0231   -0.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6499    0.3148   -0.2784 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9174   -0.9293    0.8625 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8550   -0.1741    2.0174 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4880   -1.3541    0.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9972   -2.2447    1.4437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6032    0.3653   -0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4317    1.8157   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4669    2.5251    0.5989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4418    3.8929    0.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3680    4.6159    0.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3690    6.0195    0.4110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3397    3.9504   -0.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3876    2.5545   -0.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8327   -0.1388    0.0464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1676   -1.3701   -0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4785   -1.7682    0.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8339   -3.0988    0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1343   -3.5436    0.2887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8740   -4.0437   -0.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1582   -5.3940   -0.3047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5581   -3.6354   -0.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5684   -4.5485   -0.7050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2052   -2.3037   -0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9831   -0.1974    1.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0833    1.9472    0.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7515    1.4016   -2.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3573    2.0739   -1.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5786    3.8406   -1.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0646   -0.5133   -1.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1513   -0.5212   -0.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5962   -1.7824    0.9194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5308   -0.4853    2.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5589   -1.8745   -0.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1557   -1.8897    1.8253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3531    2.0126    0.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2398    4.4550    1.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7859    6.5206   -0.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4893    4.5183   -0.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4089    2.0639   -0.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2626   -1.0637    0.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9018   -2.9161    0.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0809   -5.7738   -0.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8003   -5.5141   -0.7718 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  3 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 16 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  2  0
 33  2  1  0
 14  5  1  0
 23 17  1  0
 33 25  1  0
  5 34  1  0
  7 35  1  0
  8 36  1  0
  8 37  1  0
  9 38  1  0
 10 39  1  0
 11 40  1  0
 12 41  1  0
 13 42  1  0
 14 43  1  0
 15 44  1  0
 18 45  1  0
 19 46  1  0
 21 47  1  0
 22 48  1  0
 23 49  1  0
 26 50  1  0
 28 51  1  0
 30 52  1  0
 32 53  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       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       8.002  -4.620   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
CONECT    1    3    7                                                       
CONECT    2    4    7                                                       
CONECT    3    1    8                                                       
CONECT    4    2    8                                                       
CONECT    5    9   10                                                       
CONECT    6   11   22                                                       
CONECT    7    1    2   19                                                  
CONECT    8    3    4   23                                                  
CONECT    9    5   13   24                                                  
CONECT   10    5   12   31                                                  
CONECT   11    6   14   32                                                  
CONECT   12   10   15   16                                                  
CONECT   13    9   15   25                                                  
CONECT   14   11   17   26                                                  
CONECT   15   12   13   27                                                  
CONECT   16   12   20   28                                                  
CONECT   17   14   18   29                                                  
CONECT   18   17   21   30                                                  
CONECT   19    7   20   31                                                  
CONECT   20   16   19   33                                                  
CONECT   21   18   32   33                                                  
CONECT   22    6                                                            
CONECT   23    8                                                            
CONECT   24    9                                                            
CONECT   25   13                                                            
CONECT   26   14                                                            
CONECT   27   15                                                            
CONECT   28   16                                                            
CONECT   29   17                                                            
CONECT   30   18                                                            
CONECT   31   10   19                                                       
CONECT   32   11   21                                                       
CONECT   33   20   21                                                       
MASTER        0    0    0    0    0    0    0    0   33    0   72    0
END

COMPND    HMDB0040478
HETATM    1  O1  UNL     1      -0.007  -2.735  -0.797  1.00  0.00           O  
HETATM    2  C1  UNL     1      -0.915  -1.875  -0.520  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.617  -0.524  -0.420  1.00  0.00           C  
HETATM    4  O2  UNL     1       0.705  -0.138  -0.615  1.00  0.00           O  
HETATM    5  C3  UNL     1       1.641  -0.104   0.478  1.00  0.00           C  
HETATM    6  O3  UNL     1       2.301   1.069   0.568  1.00  0.00           O  
HETATM    7  C4  UNL     1       3.446   1.263  -0.131  1.00  0.00           C  
HETATM    8  C5  UNL     1       3.339   1.961  -1.443  1.00  0.00           C  
HETATM    9  O4  UNL     1       2.829   3.252  -1.341  1.00  0.00           O  
HETATM   10  C6  UNL     1       4.304   0.023  -0.279  1.00  0.00           C  
HETATM   11  O5  UNL     1       5.650   0.315  -0.278  1.00  0.00           O  
HETATM   12  C7  UNL     1       3.917  -0.929   0.862  1.00  0.00           C  
HETATM   13  O6  UNL     1       3.855  -0.174   2.017  1.00  0.00           O  
HETATM   14  C8  UNL     1       2.488  -1.354   0.501  1.00  0.00           C  
HETATM   15  O7  UNL     1       1.997  -2.245   1.444  1.00  0.00           O  
HETATM   16  C9  UNL     1      -1.603   0.365  -0.132  1.00  0.00           C  
HETATM   17  C10 UNL     1      -1.432   1.816  -0.002  1.00  0.00           C  
HETATM   18  C11 UNL     1      -2.467   2.525   0.599  1.00  0.00           C  
HETATM   19  C12 UNL     1      -2.442   3.893   0.730  1.00  0.00           C  
HETATM   20  C13 UNL     1      -1.368   4.616   0.262  1.00  0.00           C  
HETATM   21  O8  UNL     1      -1.369   6.019   0.411  1.00  0.00           O  
HETATM   22  C14 UNL     1      -0.340   3.950  -0.332  1.00  0.00           C  
HETATM   23  C15 UNL     1      -0.388   2.554  -0.455  1.00  0.00           C  
HETATM   24  O9  UNL     1      -2.833  -0.139   0.046  1.00  0.00           O  
HETATM   25  C16 UNL     1      -3.168  -1.370  -0.031  1.00  0.00           C  
HETATM   26  C17 UNL     1      -4.478  -1.768   0.175  1.00  0.00           C  
HETATM   27  C18 UNL     1      -4.834  -3.099   0.090  1.00  0.00           C  
HETATM   28  O10 UNL     1      -6.134  -3.544   0.289  1.00  0.00           O  
HETATM   29  C19 UNL     1      -3.874  -4.044  -0.204  1.00  0.00           C  
HETATM   30  O11 UNL     1      -4.158  -5.394  -0.305  1.00  0.00           O  
HETATM   31  C20 UNL     1      -2.558  -3.635  -0.409  1.00  0.00           C  
HETATM   32  O12 UNL     1      -1.568  -4.549  -0.705  1.00  0.00           O  
HETATM   33  C21 UNL     1      -2.205  -2.304  -0.324  1.00  0.00           C  
HETATM   34  H1  UNL     1       0.983  -0.197   1.399  1.00  0.00           H  
HETATM   35  H2  UNL     1       4.083   1.947   0.519  1.00  0.00           H  
HETATM   36  H3  UNL     1       2.752   1.402  -2.199  1.00  0.00           H  
HETATM   37  H4  UNL     1       4.357   2.074  -1.892  1.00  0.00           H  
HETATM   38  H5  UNL     1       3.579   3.841  -1.071  1.00  0.00           H  
HETATM   39  H6  UNL     1       4.065  -0.513  -1.219  1.00  0.00           H  
HETATM   40  H7  UNL     1       6.151  -0.521  -0.410  1.00  0.00           H  
HETATM   41  H8  UNL     1       4.596  -1.782   0.919  1.00  0.00           H  
HETATM   42  H9  UNL     1       4.531  -0.485   2.684  1.00  0.00           H  
HETATM   43  H10 UNL     1       2.559  -1.875  -0.463  1.00  0.00           H  
HETATM   44  H11 UNL     1       1.156  -1.890   1.825  1.00  0.00           H  
HETATM   45  H12 UNL     1      -3.353   2.013   0.995  1.00  0.00           H  
HETATM   46  H13 UNL     1      -3.240   4.455   1.196  1.00  0.00           H  
HETATM   47  H14 UNL     1      -1.786   6.521  -0.365  1.00  0.00           H  
HETATM   48  H15 UNL     1       0.489   4.518  -0.693  1.00  0.00           H  
HETATM   49  H16 UNL     1       0.409   2.064  -0.950  1.00  0.00           H  
HETATM   50  H17 UNL     1      -5.263  -1.064   0.407  1.00  0.00           H  
HETATM   51  H18 UNL     1      -6.902  -2.916   0.509  1.00  0.00           H  
HETATM   52  H19 UNL     1      -5.081  -5.774  -0.171  1.00  0.00           H  
HETATM   53  H20 UNL     1      -1.800  -5.514  -0.772  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   33
CONECT    3    4   16   16
CONECT    4    5
CONECT    5    6   14   34
CONECT    6    7
CONECT    7    8   10   35
CONECT    8    9   36   37
CONECT    9   38
CONECT   10   11   12   39
CONECT   11   40
CONECT   12   13   14   41
CONECT   13   42
CONECT   14   15   43
CONECT   15   44
CONECT   16   17   24
CONECT   17   18   18   23
CONECT   18   19   45
CONECT   19   20   20   46
CONECT   20   21   22
CONECT   21   47
CONECT   22   23   23   48
CONECT   23   49
CONECT   24   25
CONECT   25   26   26   33
CONECT   26   27   50
CONECT   27   28   29   29
CONECT   28   51
CONECT   29   30   31
CONECT   30   52
CONECT   31   32   33   33
CONECT   32   53
END

HMDB0040478
     RDKit          3D
6-Hydroxykaempferol 3-glucoside
 53 56  0  0  0  0  0  0  0  0999 V2000
   -0.0065   -2.7355   -0.7965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9152   -1.8747   -0.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6174   -0.5238   -0.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7046   -0.1383   -0.6151 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6407   -0.1044    0.4781 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3014    1.0686    0.5682 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4462    1.2631   -0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3391    1.9611   -1.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8294    3.2518   -1.3413 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3041    0.0231   -0.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6499    0.3148   -0.2784 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9174   -0.9293    0.8625 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8550   -0.1741    2.0174 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4880   -1.3541    0.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9972   -2.2447    1.4437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6032    0.3653   -0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4317    1.8157   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4669    2.5251    0.5989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4418    3.8929    0.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3680    4.6159    0.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3690    6.0195    0.4110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3397    3.9504   -0.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3876    2.5545   -0.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8327   -0.1388    0.0464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1676   -1.3701   -0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4785   -1.7682    0.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8339   -3.0988    0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1343   -3.5436    0.2887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8740   -4.0437   -0.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1582   -5.3940   -0.3047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5581   -3.6354   -0.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5684   -4.5485   -0.7050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2052   -2.3037   -0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9831   -0.1974    1.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0833    1.9472    0.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7515    1.4016   -2.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3573    2.0739   -1.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5786    3.8406   -1.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0646   -0.5133   -1.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1513   -0.5212   -0.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5962   -1.7824    0.9194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5308   -0.4853    2.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5589   -1.8745   -0.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1557   -1.8897    1.8253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3531    2.0126    0.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2398    4.4550    1.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7859    6.5206   -0.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4893    4.5183   -0.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4089    2.0639   -0.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2626   -1.0637    0.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9018   -2.9161    0.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0809   -5.7738   -0.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8003   -5.5141   -0.7718 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  3 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 16 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  2  0
 33  2  1  0
 14  5  1  0
 23 17  1  0
 33 25  1  0
  5 34  1  0
  7 35  1  0
  8 36  1  0
  8 37  1  0
  9 38  1  0
 10 39  1  0
 11 40  1  0
 12 41  1  0
 13 42  1  0
 14 43  1  0
 15 44  1  0
 18 45  1  0
 19 46  1  0
 21 47  1  0
 22 48  1  0
 23 49  1  0
 26 50  1  0
 28 51  1  0
 30 52  1  0
 32 53  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₁H₂₀O₁₂

Average Molecular Weight

464.3763

Monoisotopic Molecular Weight

464.095476104

IUPAC Name

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

Traditional Name

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

CAS Registry Number

145134-61-8

SMILES

OCC1OC(OC2=C(OC3=C(C(O)=C(O)C(O)=C3)C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C21H20O12/c22-6-11-14(26)17(29)18(30)21(32-11)33-20-16(28)12-10(5-9(24)13(25)15(12)27)31-19(20)7-1-3-8(23)4-2-7/h1-5,11,14,17-18,21-27,29-30H,6H2

InChI Key

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0040478)
Cytoplasm (HMDB: HMDB0040478)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0040478)

Source

Exogenous

Food

Food (HMDB: HMDB0040478)

Herb and spice

Oilseed crop

Safflower (FooDB: FOOD00042)

Herbs and Spices (FooDB: FOOD00866)

Fat and oil

Fats and oils (FooDB: FOOD00864)

Endogenous

Plant

Plant (HMDB: HMDB0040478)

Not Available

Nutrient (HMDB: HMDB0040478)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	263 - 265 °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	2.46 g/L	ALOGPS
logP	0.53	ALOGPS
logP	-0.14	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	6.61	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	206.6 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	109.28 m³·mol⁻¹	ChemAxon
Polarizability	43.51 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	200.271	30932474
DeepCCS	[M-H]-	197.875	30932474
DeepCCS	[M-2H]-	230.758	30932474
DeepCCS	[M+Na]+	206.183	30932474
AllCCS	[M+H]+	204.9	32859911
AllCCS	[M+H-H2O]+	202.6	32859911
AllCCS	[M+NH4]+	207.1	32859911
AllCCS	[M+Na]+	207.7	32859911
AllCCS	[M-H]-	202.1	32859911
AllCCS	[M+Na-2H]-	202.4	32859911
AllCCS	[M+HCOO]-	203.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
6-Hydroxykaempferol 3-glucoside	OCC1OC(OC2=C(OC3=C(C(O)=C(O)C(O)=C3)C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	5811.8	Standard polar	33892256
6-Hydroxykaempferol 3-glucoside	OCC1OC(OC2=C(OC3=C(C(O)=C(O)C(O)=C3)C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	4470.9	Standard non polar	33892256
6-Hydroxykaempferol 3-glucoside	OCC1OC(OC2=C(OC3=C(C(O)=C(O)C(O)=C3)C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	4467.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
6-Hydroxykaempferol 3-glucoside,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O)C(O)C1O	4483.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,1TMS,isomer #2	C[Si](C)(C)OC1=C(O)C(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	4433.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,1TMS,isomer #3	C[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C2=C1O	4452.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,1TMS,isomer #4	C[Si](C)(C)OC1=CC2=C(C(O)=C1O)C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	4493.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,1TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C(O)=C(O)C=C3O2)C=C1	4529.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,1TMS,isomer #6	C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)OC(CO)C(O)C1O	4499.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,1TMS,isomer #7	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C1O	4500.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,1TMS,isomer #8	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O)C1O	4494.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O)C(O)C1O	4406.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3O2)C=C1	4321.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #11	C[Si](C)(C)OC1=C(O)C(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	4287.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #12	C[Si](C)(C)OC1=C(O)C(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	4274.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #13	C[Si](C)(C)OC1=C(O)C(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4295.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #14	C[Si](C)(C)OC1=CC2=C(C(O)=C1O[Si](C)(C)C)C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	4341.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #15	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3O2)C=C1	4309.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #16	C[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C2=C1O	4289.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #17	C[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C2=C1O	4268.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #18	C[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C2=C1O	4300.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #19	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3O2)C=C1	4380.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C2=O)C(O)C(O)C1O	4385.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #20	C[Si](C)(C)OC1=CC2=C(C(O)=C1O)C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	4366.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #21	C[Si](C)(C)OC1=CC2=C(C(O)=C1O)C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	4348.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #22	C[Si](C)(C)OC1=CC2=C(C(O)=C1O)C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4380.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #23	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C(O)=C(O)C=C3O2)C=C1	4384.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #24	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O)=C(O)C=C3O2)C=C1	4364.0	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #25	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(O)C=C3O2)C=C1	4393.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #26	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C)C1O	4370.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #27	C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C	4395.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #28	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O)C1O[Si](C)(C)C	4377.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O)C(O)C1O	4324.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4306.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4400.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4384.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4390.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #8	C[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C2=C1O[Si](C)(C)C	4276.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TMS,isomer #9	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1O)C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	4349.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C2=O)C(O)C(O)C1O	4220.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4202.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4232.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4139.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4190.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4143.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4182.0	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4184.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4154.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4178.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4294.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O)C(O)C1O	4157.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4337.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4295.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #22	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1O[Si](C)(C)C)C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	4217.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #23	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C3O2)C=C1	4151.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #24	C[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C2=C1O[Si](C)(C)C	4126.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #25	C[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C2=C1O[Si](C)(C)C	4087.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #26	C[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	4136.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #27	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C3O2)C=C1	4197.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #28	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1O)C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	4177.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #29	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1O)C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	4141.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4174.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #30	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1O)C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4189.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #31	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3O2)C=C1	4157.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #32	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3O2)C=C1	4115.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3O2)C=C1	4167.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #34	C[Si](C)(C)OC1=C(O)C(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	4163.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #35	C[Si](C)(C)OC1=C(O)C(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4163.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #36	C[Si](C)(C)OC1=C(O)C(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4173.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #37	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1	4192.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #38	C[Si](C)(C)OC1=CC2=C(C(O)=C1O[Si](C)(C)C)C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	4181.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #39	C[Si](C)(C)OC1=CC2=C(C(O)=C1O[Si](C)(C)C)C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	4138.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4277.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #40	C[Si](C)(C)OC1=CC2=C(C(O)=C1O[Si](C)(C)C)C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4194.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #41	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3O2)C=C1	4141.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #42	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3O2)C=C1	4123.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #43	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3O2)C=C1	4143.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #44	C[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C2=C1O	4141.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #45	C[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C2=C1O	4144.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #46	C[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O	4155.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #47	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3O2)C=C1	4206.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #48	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3O2)C=C1	4163.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #49	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3O2)C=C1	4215.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4241.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #50	C[Si](C)(C)OC1=CC2=C(C(O)=C1O)C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	4214.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #51	C[Si](C)(C)OC1=CC2=C(C(O)=C1O)C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4213.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #52	C[Si](C)(C)OC1=CC2=C(C(O)=C1O)C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4228.0	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #53	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O)=C(O)C=C3O2)C=C1	4257.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #54	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(O)C=C3O2)C=C1	4255.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #55	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(O)C=C3O2)C=C1	4268.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #56	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4283.0	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4272.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O)C(O)C1O	4182.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4190.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4238.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O)C(O)C1O	4093.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4113.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4041.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4095.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4219.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4255.0	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4211.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4082.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4113.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4047.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4097.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4070.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4106.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4049.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4085.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4160.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4204.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4154.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4067.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4012.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4046.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4084.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4144.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4111.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4076.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4116.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4166.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4110.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4283.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #36	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1	4118.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #37	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1O[Si](C)(C)C)C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	4097.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #38	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1O[Si](C)(C)C)C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	4046.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #39	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1O[Si](C)(C)C)C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4113.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4071.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #40	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C3O2)C=C1	4057.0	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #41	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C3O2)C=C1	4034.0	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #42	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C3O2)C=C1	4060.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #43	C[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C2=C1O[Si](C)(C)C	4024.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #44	C[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	4042.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #45	C[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	4032.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #46	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C3O2)C=C1	4074.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #47	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C3O2)C=C1	4050.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #48	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C3O2)C=C1	4080.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #49	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1O)C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	4057.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4128.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #50	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1O)C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4071.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #51	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1O)C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4067.0	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #52	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3O2)C=C1	4062.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #53	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3O2)C=C1	4082.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #54	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3O2)C=C1	4075.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #55	C[Si](C)(C)OC1=C(O)C(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4099.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #56	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1	4099.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #57	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1	4066.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #58	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1	4106.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #59	C[Si](C)(C)OC1=CC2=C(C(O)=C1O[Si](C)(C)C)C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	4072.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4043.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #60	C[Si](C)(C)OC1=CC2=C(C(O)=C1O[Si](C)(C)C)C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4089.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #61	C[Si](C)(C)OC1=CC2=C(C(O)=C1O[Si](C)(C)C)C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4081.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #62	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3O2)C=C1	4049.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #63	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3O2)C=C1	4061.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #64	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3O2)C=C1	4055.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #65	C[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O	4073.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #66	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3O2)C=C1	4097.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #67	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3O2)C=C1	4113.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #68	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3O2)C=C1	4112.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #69	C[Si](C)(C)OC1=CC2=C(C(O)=C1O)C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4142.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4089.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #70	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(O)C=C3O2)C=C1	4212.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4068.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,4TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4082.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4032.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4066.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4015.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	3989.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	3999.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4025.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4048.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4029.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4040.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4077.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4039.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4058.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4208.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4036.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	3984.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4015.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4037.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4066.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4035.0	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4023.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4053.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4023.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4021.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4142.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3997.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4026.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3998.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4063.0	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4113.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #36	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1	4051.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #37	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1	4023.0	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #38	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1	4060.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #39	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1O[Si](C)(C)C)C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	4024.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4042.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #40	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1O[Si](C)(C)C)C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4035.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #41	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1O[Si](C)(C)C)C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4022.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #42	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C3O2)C=C1	3994.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #43	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C3O2)C=C1	4002.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #44	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C3O2)C=C1	3991.0	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #45	C[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	4003.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #46	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C3O2)C=C1	4017.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #47	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C3O2)C=C1	4028.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #48	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C3O2)C=C1	4015.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #49	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1O)C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4015.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4039.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #50	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(O)C=C3O2)C=C1	4041.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #51	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1	4032.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #52	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1	4048.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #53	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1	4035.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #54	C[Si](C)(C)OC1=CC2=C(C(O)=C1O[Si](C)(C)C)C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4047.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #55	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(O)C=C3O2)C=C1	4014.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #56	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(O[Si](C)(C)C)C=C3O2)C=C1	4071.0	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4026.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4025.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4071.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,5TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4102.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4012.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4068.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3970.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3997.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3977.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4019.0	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4039.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3991.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4023.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3994.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4034.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	3992.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4022.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3989.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #22	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1	4005.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #23	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1	4014.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #24	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1	3992.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #25	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1O[Si](C)(C)C)C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4004.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #26	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C=C3O2)C=C1	3964.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #27	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C=C3O2)C=C1	3993.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #28	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1	4009.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4000.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4008.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4037.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4011.0	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4002.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4028.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,6TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4013.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O)C(O)C1O	4755.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	4710.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C2=C1O	4709.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O)=C1O)C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	4757.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C(O)=C(O)C=C3O2)C=C1	4759.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)OC(CO)C(O)C1O	4772.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C1O	4772.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O)C1O	4771.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O)C(O)C1O	4867.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(O)C=C3O2)C=C1	4818.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	4772.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	4764.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C=C1)O2	4767.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O)=C1O[Si](C)(C)C(C)(C)C)C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	4800.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)C=C1	4826.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C2=C1O	4777.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C2=C1O	4767.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O	4774.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C(O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1	4856.0	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C3C2=O)C(O)C(O)C1O	4849.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O)=C1O)C(=O)C(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	4821.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O)=C1O)C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	4810.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O)=C1O)C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C=C1)O2	4818.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C(O)=C(O)C=C3O2)C=C1	4852.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(O)=C(O)C=C3O2)C=C1	4829.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(O)C=C3O2)C=C1	4847.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O	4837.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4848.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O)C1O[Si](C)(C)C(C)(C)C	4835.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3C2=O)C(O)C(O)C1O	4792.0	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	4797.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4865.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4859.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4856.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C2=C1O[Si](C)(C)C(C)(C)C	4774.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1O)C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	4820.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C3C2=O)C(O)C(O)C1O	4922.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4871.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4873.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	4810.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4854.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4862.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4851.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4828.0	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4823.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4817.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4921.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3C2=O)C(O)C(O)C1O	4916.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4947.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4914.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C)C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	4878.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)C=C1	4910.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C2=C1O[Si](C)(C)C(C)(C)C	4815.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C2=C1O[Si](C)(C)C(C)(C)C	4812.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O[Si](C)(C)C(C)(C)C	4797.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1	4959.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1O)C(=O)C(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	4862.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1O)C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	4864.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	4874.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1O)C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C=C1)O2	4855.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(O)C=C3O2)C=C1	4869.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(O)C=C3O2)C=C1	4861.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(O)C=C3O2)C=C1	4861.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	4796.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C=C1)O2	4809.0	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=C(O)C(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C=C1)O2	4811.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1	4945.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O)=C1O[Si](C)(C)C(C)(C)C)C(=O)C(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	4867.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O)=C1O[Si](C)(C)C(C)(C)C)C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	4855.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4934.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O)=C1O[Si](C)(C)C(C)(C)C)C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C=C1)O2	4859.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)C=C1	4921.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)C=C1	4930.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)C=C1	4904.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C2=C1O	4842.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O	4840.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O	4853.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C(O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1	4911.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1	4895.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1	4905.8	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4920.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O)=C1O)C(=O)C(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	4843.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O)=C1O)C(=O)C(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C=C1)O2	4856.9	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O)=C1O)C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C=C1)O2	4862.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(O)=C(O)C=C3O2)C=C1	4888.7	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(O)C=C3O2)C=C1	4906.2	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(O)C=C3O2)C=C1	4906.6	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4886.4	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=C(O)C(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4923.5	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3C2=O)C(O)C(O)C1O	4877.3	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	4877.1	Semi standard non polar	33892256
6-Hydroxykaempferol 3-glucoside,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4882.7	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxykaempferol 3-glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0uea-8903800000-03796513c2b64df11729	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxykaempferol 3-glucoside GC-MS (3 TMS) - 70eV, Positive	splash10-014r-3620009000-1ef56d76c596c724e288	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Hydroxykaempferol 3-glucoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxykaempferol 3-glucoside 10V, Positive-QTOF	splash10-0uxr-0028900000-aab1b3ceee295eef46f4	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxykaempferol 3-glucoside 20V, Positive-QTOF	splash10-0udi-0169100000-f6fea2865d592cb9c7b8	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxykaempferol 3-glucoside 40V, Positive-QTOF	splash10-0pbl-2983000000-24b436dc6c9f8433b6fa	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxykaempferol 3-glucoside 10V, Negative-QTOF	splash10-0ik9-1205900000-2ddff9e2993c5b953852	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxykaempferol 3-glucoside 20V, Negative-QTOF	splash10-0udi-1449300000-14b2ce2bdfd23542d8f1	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxykaempferol 3-glucoside 40V, Negative-QTOF	splash10-0f6x-5962000000-eac36065bff1a3e3c79f	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxykaempferol 3-glucoside 10V, Positive-QTOF	splash10-0udi-0009200000-ec9198dd1ba084d04cbe	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxykaempferol 3-glucoside 20V, Positive-QTOF	splash10-0vi0-0009900000-aaa76d4e3583ff79b238	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxykaempferol 3-glucoside 40V, Positive-QTOF	splash10-0udi-0009000000-58b2754f892c40f07699	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxykaempferol 3-glucoside 10V, Negative-QTOF	splash10-03di-0000900000-6f2eeefe1c293318bcf5	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxykaempferol 3-glucoside 20V, Negative-QTOF	splash10-0ik9-0005900000-bf5910d7b15c31ad49e0	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Hydroxykaempferol 3-glucoside 40V, Negative-QTOF	splash10-0udi-0009100000-74425a1bf828fbf4af12	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

FDB020234

KNApSAcK ID

C00005306

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

123245871

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 6-Hydroxykaempferol 3-glucoside (HMDB0040478)

MOL for HMDB0040478 (6-Hydroxykaempferol 3-glucoside)

3D MOL for HMDB0040478 (6-Hydroxykaempferol 3-glucoside)

3D SDF for HMDB0040478 (6-Hydroxykaempferol 3-glucoside)

3D-SDF for HMDB0040478 (6-Hydroxykaempferol 3-glucoside)

PDB for HMDB0040478 (6-Hydroxykaempferol 3-glucoside)

3D PDB for HMDB0040478 (6-Hydroxykaempferol 3-glucoside)

SMILES for HMDB0040478 (6-Hydroxykaempferol 3-glucoside)

INCHI for HMDB0040478 (6-Hydroxykaempferol 3-glucoside)

Structure for HMDB0040478 (6-Hydroxykaempferol 3-glucoside)

3D Structure for HMDB0040478 (6-Hydroxykaempferol 3-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra