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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:59:17 UTC

Update Date

2022-03-07 02:56:14 UTC

HMDB ID

HMDB0039507

Secondary Accession Numbers

HMDB39507

Metabolite Identification

Common Name

Kaempferol 3-xylosylglucoside

Description

Kaempferol 3-xylosylglucoside belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Kaempferol 3-xylosylglucoside is found, on average, in the highest concentration within a few different foods, such as yellow wax beans (Phaseolus vulgaris), green beans (Phaseolus vulgaris), and common beans (Phaseolus vulgaris). Kaempferol 3-xylosylglucoside has also been detected, but not quantified in, brassicas and horseradishes (Armoracia rusticana). This could make kaempferol 3-xylosylglucoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Kaempferol 3-xylosylglucoside.

Structure

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


  Mrv0541 02241220562D          

 41 45  0  0  0  0            999 V2000
   -3.2151    0.4420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -2.0331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -2.0331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.4420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.2081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8985   -4.8753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
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 27 14  1  1  0  0  0
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 31 32  1  0  0  0  0
 37 32  1  1  0  0  0
 33 34  1  0  0  0  0
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 36 37  1  0  0  0  0
 33 37  1  0  0  0  0
 36 38  1  6  0  0  0
 35 39  1  1  0  0  0
 34 40  1  1  0  0  0
 40 41  1  0  0  0  0
M  END

HMDB0039507
     RDKit          3D
Kaempferol 3-xylosylglucoside
 69 73  0  0  0  0  0  0  0  0999 V2000
   -1.6661   -0.5159    3.5668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2117    0.2152    2.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2607   -0.1136    1.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6725   -1.2928    0.9801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2679   -1.4299    0.7306 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.1419   -2.4306   -0.7872 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6376   -2.4152   -2.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0248   -1.1820   -2.6398 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0353   -0.5608   -1.9649 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5926    0.6520   -1.4015 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7545    1.2384   -0.9186 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4874    2.6589   -0.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6396    3.2429   -0.0023 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    1.2254   -2.1583 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3442    2.3015   -3.0034 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1837   -0.0861   -2.8141 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.3716   -4.8363   -0.8599 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7696   -3.7135    1.1860 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1901   -4.8425    1.7705 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2526   -2.4305    1.7102 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2652   -1.8420    2.5025 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7937   -0.6601   -1.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8981   -0.7948   -3.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    0.2880   -3.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3471    0.1834   -5.1769 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3453    1.5972   -1.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3962    1.8551    0.9756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3646    2.1897    2.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9244    3.3701    2.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9023    3.7441    4.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4808    4.9413    4.4284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2867    2.9002    4.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7221    1.7232    4.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1067    0.8742    5.4196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7685    1.3895    3.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1535   -0.4108    1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4063   -3.2050   -2.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7872   -2.7460   -2.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4596   -1.1204   -1.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2458    0.6449   -0.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3031   -4.7128    2.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5315   -2.7167    2.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5571   -1.5461   -1.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7165   -1.7541   -3.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1808   -0.6970   -5.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7202    2.3372   -3.7548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5271    2.5589   -1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0716    1.1157    6.3976 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
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  7 19  1  0
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 17 10  1  0
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 32 65  1  0
 35 66  1  0
 37 67  1  0
 38 68  1  0
 40 69  1  0
M  END


  Mrv0541 02241220562D          

 41 45  0  0  0  0            999 V2000
   -3.2151    0.4420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7928   -6.0898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2573   -4.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8985   -4.8753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 27 14  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 26 28  1  6  0  0  0
 25 29  1  1  0  0  0
 24 30  1  6  0  0  0
 23 31  1  1  0  0  0
 31 32  1  0  0  0  0
 37 32  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 33 37  1  0  0  0  0
 36 38  1  6  0  0  0
 35 39  1  1  0  0  0
 34 40  1  1  0  0  0
 40 41  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039507

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C26H28O15/c27-7-14-17(31)21(35)25(39-14)37-8-15-18(32)20(34)22(36)26(40-15)41-24-19(33)16-12(30)5-11(29)6-13(16)38-23(24)9-1-3-10(28)4-2-9/h1-6,14-15,17-18,20-22,25-32,34-36H,7-8H2/t14-,15-,17+,18-,20+,21-,22-,25-,26+/m1/s1

> <INCHI_KEY>
XZTRGHMNLXAJPZ-DGBSRBSYSA-N

> <FORMULA>
C26H28O15

> <MOLECULAR_WEIGHT>
580.4915

> <EXACT_MASS>
580.142820226

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
55.6927371022824

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

> <ALOGPS_LOGP>
-0.18

> <JCHEM_LOGP>
-0.9817706779999993

> <ALOGPS_LOGS>
-2.29

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.440142642796506

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.433889538134489

> <JCHEM_PKA_STRONGEST_BASIC>
-3.648686043828814

> <JCHEM_POLAR_SURFACE_AREA>
245.28999999999996

> <JCHEM_REFRACTIVITY>
133.7454

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.95e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0039507
     RDKit          3D
Kaempferol 3-xylosylglucoside
 69 73  0  0  0  0  0  0  0  0999 V2000
   -1.6661   -0.5159    3.5668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2117    0.2152    2.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2607   -0.1136    1.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6725   -1.2928    0.9801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2679   -1.4299    0.7306 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0255   -1.6197   -0.5616 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1419   -2.4306   -0.7872 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6376   -2.4152   -2.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0248   -1.1820   -2.6398 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0353   -0.5608   -1.9649 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5926    0.6520   -1.4015 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7545    1.2384   -0.9186 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4874    2.6589   -0.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6396    3.2429   -0.0023 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    1.2254   -2.1583 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3442    2.3015   -3.0034 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1837   -0.0861   -2.8141 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2275   -0.9786   -2.8978 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6794   -3.7907   -0.3118 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3716   -4.8363   -0.8599 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7696   -3.7135    1.1860 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1901   -4.8425    1.7705 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2526   -2.4305    1.7102 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2652   -1.8420    2.5025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8742    0.7343    0.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0061    0.5091   -0.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7937   -0.6601   -1.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8981   -0.7948   -3.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    0.2880   -3.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3471    0.1834   -5.1769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4564    1.4890   -3.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3453    1.5972   -1.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3962    1.8551    0.9756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3646    2.1897    2.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9244    3.3701    2.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9023    3.7441    4.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4808    4.9413    4.4284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2867    2.9002    4.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7221    1.7232    4.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1067    0.8742    5.4196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7685    1.3895    3.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1535   -0.4108    1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9404   -2.0158   -0.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063   -3.2050   -2.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7872   -2.7460   -2.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4596   -1.1204   -1.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2458    0.6449   -0.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590    3.2160   -1.3874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7083    2.7034    0.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2762    2.5519    0.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6884    1.2432   -1.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7523    3.1288   -2.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8127    0.1474   -3.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2397   -1.5244   -3.7213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4027   -3.9443   -0.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1676   -5.1306   -0.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8661   -3.8128    1.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3031   -4.7128    2.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5315   -2.7167    2.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0748   -0.8644    2.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5571   -1.5461   -1.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7165   -1.7541   -3.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1808   -0.6970   -5.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7202    2.3372   -3.7548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5271    2.5589   -1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3983    4.0184    1.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9176    5.5300    3.7379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2811    3.2184    5.9919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0716    1.1157    6.3976 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
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  7 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
  3 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 25 33  1  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
 38 39  1  0
 39 40  1  0
 39 41  2  0
 41  2  1  0
 23  5  1  0
 32 26  1  0
 41 34  1  0
 17 10  1  0
  5 42  1  1
  7 43  1  1
  8 44  1  0
  8 45  1  0
 10 46  1  1
 12 47  1  1
 13 48  1  0
 13 49  1  0
 14 50  1  0
 15 51  1  1
 16 52  1  0
 17 53  1  6
 18 54  1  0
 19 55  1  1
 20 56  1  0
 21 57  1  6
 22 58  1  0
 23 59  1  1
 24 60  1  0
 27 61  1  0
 28 62  1  0
 30 63  1  0
 31 64  1  0
 32 65  1  0
 35 66  1  0
 37 67  1  0
 38 68  1  0
 40 69  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0      -6.002   0.825   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -4.668   0.055   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.334   0.825   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.001   0.055   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.001  -1.485   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.667  -2.255   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.667  -3.795   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -4.668  -1.485   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.334  -2.255   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -3.334  -3.795   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -0.667   0.825   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       0.667   0.055   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.667  -1.485   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.001  -2.255   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.668   0.825   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.668   2.365   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.334   3.135   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.001   2.365   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.001   0.825   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.334   0.055   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.002   3.135   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       0.667  -4.565   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       0.667  -6.105   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.001  -6.875   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.334  -6.105   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.334  -4.565   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.001  -3.795   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       4.668  -3.795   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       4.668  -6.875   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       2.001  -8.415   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -0.667  -6.875   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -0.667  -8.415   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -3.351  -7.844   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -4.643  -8.683   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -4.244 -10.171   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -2.706 -10.251   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -2.154  -8.814   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -1.867 -11.543   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -5.213 -11.368   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      -6.080  -8.131   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -7.277  -9.101   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   11                                                  
CONECT    5    4    6    9                                                  
CONECT    6    5    7   13                                                  
CONECT    7    6                                                            
CONECT    8    2    9                                                       
CONECT    9    5    8   10                                                  
CONECT   10    9                                                            
CONECT   11    4   12                                                       
CONECT   12   11   13   19                                                  
CONECT   13    6   12   14                                                  
CONECT   14   13   27                                                       
CONECT   15   16   20                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   12   18   20                                                  
CONECT   20   15   19                                                       
CONECT   21   16                                                            
CONECT   22   23   27                                                       
CONECT   23   22   24   31                                                  
CONECT   24   23   25   30                                                  
CONECT   25   24   26   29                                                  
CONECT   26   25   27   28                                                  
CONECT   27   14   26   22                                                  
CONECT   28   26                                                            
CONECT   29   25                                                            
CONECT   30   24                                                            
CONECT   31   23   32                                                       
CONECT   32   31   37                                                       
CONECT   33   34   37                                                       
CONECT   34   33   35   40                                                  
CONECT   35   34   36   39                                                  
CONECT   36   35   37   38                                                  
CONECT   37   32   36   33                                                  
CONECT   38   36                                                            
CONECT   39   35                                                            
CONECT   40   34   41                                                       
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   90    0
END

COMPND    HMDB0039507
HETATM    1  O1  UNL     1      -1.666  -0.516   3.567  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.212   0.215   2.688  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.261  -0.114   1.342  1.00  0.00           C  
HETATM    4  O2  UNL     1      -1.672  -1.293   0.980  1.00  0.00           O  
HETATM    5  C3  UNL     1      -0.268  -1.430   0.731  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.026  -1.620  -0.562  1.00  0.00           O  
HETATM    7  C4  UNL     1       1.142  -2.431  -0.787  1.00  0.00           C  
HETATM    8  C5  UNL     1       1.638  -2.415  -2.184  1.00  0.00           C  
HETATM    9  O4  UNL     1       2.025  -1.182  -2.640  1.00  0.00           O  
HETATM   10  C6  UNL     1       3.035  -0.561  -1.965  1.00  0.00           C  
HETATM   11  O5  UNL     1       2.593   0.652  -1.401  1.00  0.00           O  
HETATM   12  C7  UNL     1       3.755   1.238  -0.919  1.00  0.00           C  
HETATM   13  C8  UNL     1       3.487   2.659  -0.483  1.00  0.00           C  
HETATM   14  O6  UNL     1       4.640   3.243  -0.002  1.00  0.00           O  
HETATM   15  C9  UNL     1       4.626   1.225  -2.158  1.00  0.00           C  
HETATM   16  O7  UNL     1       4.344   2.301  -3.003  1.00  0.00           O  
HETATM   17  C10 UNL     1       4.184  -0.086  -2.814  1.00  0.00           C  
HETATM   18  O8  UNL     1       5.228  -0.979  -2.898  1.00  0.00           O  
HETATM   19  C11 UNL     1       0.679  -3.791  -0.312  1.00  0.00           C  
HETATM   20  O9  UNL     1       1.372  -4.836  -0.860  1.00  0.00           O  
HETATM   21  C12 UNL     1       0.770  -3.714   1.186  1.00  0.00           C  
HETATM   22  O10 UNL     1       0.190  -4.842   1.770  1.00  0.00           O  
HETATM   23  C13 UNL     1       0.253  -2.431   1.710  1.00  0.00           C  
HETATM   24  O11 UNL     1       1.265  -1.842   2.502  1.00  0.00           O  
HETATM   25  C14 UNL     1      -2.874   0.734   0.471  1.00  0.00           C  
HETATM   26  C15 UNL     1      -3.006   0.509  -0.974  1.00  0.00           C  
HETATM   27  C16 UNL     1      -2.794  -0.660  -1.631  1.00  0.00           C  
HETATM   28  C17 UNL     1      -2.898  -0.795  -3.003  1.00  0.00           C  
HETATM   29  C18 UNL     1      -3.233   0.288  -3.778  1.00  0.00           C  
HETATM   30  O12 UNL     1      -3.347   0.183  -5.177  1.00  0.00           O  
HETATM   31  C19 UNL     1      -3.456   1.489  -3.140  1.00  0.00           C  
HETATM   32  C20 UNL     1      -3.345   1.597  -1.768  1.00  0.00           C  
HETATM   33  O13 UNL     1      -3.396   1.855   0.976  1.00  0.00           O  
HETATM   34  C21 UNL     1      -3.365   2.190   2.224  1.00  0.00           C  
HETATM   35  C22 UNL     1      -3.924   3.370   2.698  1.00  0.00           C  
HETATM   36  C23 UNL     1      -3.902   3.744   4.017  1.00  0.00           C  
HETATM   37  O14 UNL     1      -4.481   4.941   4.428  1.00  0.00           O  
HETATM   38  C24 UNL     1      -3.287   2.900   4.945  1.00  0.00           C  
HETATM   39  C25 UNL     1      -2.722   1.723   4.510  1.00  0.00           C  
HETATM   40  O15 UNL     1      -2.107   0.874   5.420  1.00  0.00           O  
HETATM   41  C26 UNL     1      -2.768   1.390   3.173  1.00  0.00           C  
HETATM   42  H1  UNL     1       0.153  -0.411   1.005  1.00  0.00           H  
HETATM   43  H2  UNL     1       1.940  -2.016  -0.123  1.00  0.00           H  
HETATM   44  H3  UNL     1       2.406  -3.205  -2.288  1.00  0.00           H  
HETATM   45  H4  UNL     1       0.787  -2.746  -2.841  1.00  0.00           H  
HETATM   46  H5  UNL     1       3.460  -1.120  -1.111  1.00  0.00           H  
HETATM   47  H6  UNL     1       4.246   0.645  -0.130  1.00  0.00           H  
HETATM   48  H7  UNL     1       3.159   3.216  -1.387  1.00  0.00           H  
HETATM   49  H8  UNL     1       2.708   2.703   0.294  1.00  0.00           H  
HETATM   50  H9  UNL     1       5.276   2.552   0.300  1.00  0.00           H  
HETATM   51  H10 UNL     1       5.688   1.243  -1.918  1.00  0.00           H  
HETATM   52  H11 UNL     1       4.752   3.129  -2.706  1.00  0.00           H  
HETATM   53  H12 UNL     1       3.813   0.147  -3.828  1.00  0.00           H  
HETATM   54  H13 UNL     1       5.240  -1.524  -3.721  1.00  0.00           H  
HETATM   55  H14 UNL     1      -0.403  -3.944  -0.566  1.00  0.00           H  
HETATM   56  H15 UNL     1       2.168  -5.131  -0.372  1.00  0.00           H  
HETATM   57  H16 UNL     1       1.866  -3.813   1.421  1.00  0.00           H  
HETATM   58  H17 UNL     1       0.303  -4.713   2.762  1.00  0.00           H  
HETATM   59  H18 UNL     1      -0.531  -2.717   2.474  1.00  0.00           H  
HETATM   60  H19 UNL     1       1.075  -0.864   2.490  1.00  0.00           H  
HETATM   61  H20 UNL     1      -2.557  -1.546  -1.080  1.00  0.00           H  
HETATM   62  H21 UNL     1      -2.716  -1.754  -3.479  1.00  0.00           H  
HETATM   63  H22 UNL     1      -3.181  -0.697  -5.610  1.00  0.00           H  
HETATM   64  H23 UNL     1      -3.720   2.337  -3.755  1.00  0.00           H  
HETATM   65  H24 UNL     1      -3.527   2.559  -1.288  1.00  0.00           H  
HETATM   66  H25 UNL     1      -4.398   4.018   1.980  1.00  0.00           H  
HETATM   67  H26 UNL     1      -4.918   5.530   3.738  1.00  0.00           H  
HETATM   68  H27 UNL     1      -3.281   3.218   5.992  1.00  0.00           H  
HETATM   69  H28 UNL     1      -2.072   1.116   6.398  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   41
CONECT    3    4   25   25
CONECT    4    5
CONECT    5    6   23   42
CONECT    6    7
CONECT    7    8   19   43
CONECT    8    9   44   45
CONECT    9   10
CONECT   10   11   17   46
CONECT   11   12
CONECT   12   13   15   47
CONECT   13   14   48   49
CONECT   14   50
CONECT   15   16   17   51
CONECT   16   52
CONECT   17   18   53
CONECT   18   54
CONECT   19   20   21   55
CONECT   20   56
CONECT   21   22   23   57
CONECT   22   58
CONECT   23   24   59
CONECT   24   60
CONECT   25   26   33
CONECT   26   27   27   32
CONECT   27   28   61
CONECT   28   29   29   62
CONECT   29   30   31
CONECT   30   63
CONECT   31   32   32   64
CONECT   32   65
CONECT   33   34
CONECT   34   35   35   41
CONECT   35   36   66
CONECT   36   37   38   38
CONECT   37   67
CONECT   38   39   68
CONECT   39   40   41   41
CONECT   40   69
END

HMDB0039507
     RDKit          3D
Kaempferol 3-xylosylglucoside
 69 73  0  0  0  0  0  0  0  0999 V2000
   -1.6661   -0.5159    3.5668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2117    0.2152    2.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2607   -0.1136    1.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6725   -1.2928    0.9801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2679   -1.4299    0.7306 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0255   -1.6197   -0.5616 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1419   -2.4306   -0.7872 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6376   -2.4152   -2.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0248   -1.1820   -2.6398 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0353   -0.5608   -1.9649 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5926    0.6520   -1.4015 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7545    1.2384   -0.9186 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4874    2.6589   -0.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6396    3.2429   -0.0023 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    1.2254   -2.1583 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3442    2.3015   -3.0034 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1837   -0.0861   -2.8141 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2275   -0.9786   -2.8978 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6794   -3.7907   -0.3118 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3716   -4.8363   -0.8599 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7696   -3.7135    1.1860 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1901   -4.8425    1.7705 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2526   -2.4305    1.7102 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2652   -1.8420    2.5025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8742    0.7343    0.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0061    0.5091   -0.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7937   -0.6601   -1.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8981   -0.7948   -3.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    0.2880   -3.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3471    0.1834   -5.1769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4564    1.4890   -3.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3453    1.5972   -1.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3962    1.8551    0.9756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3646    2.1897    2.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9244    3.3701    2.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9023    3.7441    4.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4808    4.9413    4.4284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2867    2.9002    4.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7221    1.7232    4.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1067    0.8742    5.4196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7685    1.3895    3.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1535   -0.4108    1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9404   -2.0158   -0.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063   -3.2050   -2.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7872   -2.7460   -2.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4596   -1.1204   -1.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2458    0.6449   -0.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590    3.2160   -1.3874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7083    2.7034    0.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2762    2.5519    0.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6884    1.2432   -1.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7523    3.1288   -2.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8127    0.1474   -3.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2397   -1.5244   -3.7213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4027   -3.9443   -0.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1676   -5.1306   -0.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8661   -3.8128    1.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3031   -4.7128    2.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5315   -2.7167    2.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0748   -0.8644    2.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5571   -1.5461   -1.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7165   -1.7541   -3.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1808   -0.6970   -5.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7202    2.3372   -3.7548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5271    2.5589   -1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3983    4.0184    1.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9176    5.5300    3.7379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2811    3.2184    5.9919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0716    1.1157    6.3976 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
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  7 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
  3 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 25 33  1  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
 38 39  1  0
 39 40  1  0
 39 41  2  0
 41  2  1  0
 23  5  1  0
 32 26  1  0
 41 34  1  0
 17 10  1  0
  5 42  1  1
  7 43  1  1
  8 44  1  0
  8 45  1  0
 10 46  1  1
 12 47  1  1
 13 48  1  0
 13 49  1  0
 14 50  1  0
 15 51  1  1
 16 52  1  0
 17 53  1  6
 18 54  1  0
 19 55  1  1
 20 56  1  0
 21 57  1  6
 22 58  1  0
 23 59  1  1
 24 60  1  0
 27 61  1  0
 28 62  1  0
 30 63  1  0
 31 64  1  0
 32 65  1  0
 35 66  1  0
 37 67  1  0
 38 68  1  0
 40 69  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
3,4',5,7-Tetrahydroxyflavone 3-xylosylglucoside	HMDB
Kaempferol 3-O-xylosyl-glucoside	HMDB

Chemical Formula

C₂₆H₂₈O₁₅

Average Molecular Weight

580.4915

Monoisotopic Molecular Weight

580.142820226

IUPAC Name

3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

Traditional Name

3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

CAS Registry Number

29322-07-4

SMILES

OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C26H28O15/c27-7-14-17(31)21(35)25(39-14)37-8-15-18(32)20(34)22(36)26(40-15)41-24-19(33)16-12(30)5-11(29)6-13(16)38-23(24)9-1-3-10(28)4-2-9/h1-6,14-15,17-18,20-22,25-32,34-36H,7-8H2/t14-,15-,17+,18-,20+,21-,22-,25-,26+/m1/s1

InChI Key

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0039507)
Cytoplasm (HMDB: HMDB0039507)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0039507)

Source

Exogenous

Food

Food (HMDB: HMDB0039507)

Brassicas (FooDB: FOOD00857)

Herb and spice

Spice

Horseradish (FooDB: FOOD00018)

Endogenous

Plant

Plant (HMDB: HMDB0039507)
Fabaceae (HMDB: HMDB0039507)

Not Available

Nutrient (HMDB: HMDB0039507)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2.95 g/L	ALOGPS
logP	-0.18	ALOGPS
logP	-0.98	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	6.43	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	245.29 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	133.75 m³·mol⁻¹	ChemAxon
Polarizability	55.69 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	216.754	30932474
DeepCCS	[M-H]-	214.358	30932474
DeepCCS	[M-2H]-	247.935	30932474
DeepCCS	[M+Na]+	222.575	30932474
AllCCS	[M+H]+	226.7	32859911
AllCCS	[M+H-H2O]+	225.3	32859911
AllCCS	[M+NH4]+	228.0	32859911
AllCCS	[M+Na]+	228.4	32859911
AllCCS	[M-H]-	221.7	32859911
AllCCS	[M+Na-2H]-	223.5	32859911
AllCCS	[M+HCOO]-	225.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Kaempferol 3-xylosylglucoside	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	5834.9	Standard polar	33892256
Kaempferol 3-xylosylglucoside	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4833.1	Standard non polar	33892256
Kaempferol 3-xylosylglucoside	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	5436.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Kaempferol 3-xylosylglucoside,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	5030.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	5050.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,1TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)=C(C1=CC=C(O)C=C1)O2	5042.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,1TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5049.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,1TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5027.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,1TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)[C@H]1O	5012.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,1TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	5029.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,1TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]1OC[C@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@@H](O)[C@@H]1O	5067.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,1TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	5029.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4943.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4909.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4940.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #12	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4921.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4894.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4913.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #15	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4933.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	4926.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)=C(C1=CC=C(O)C=C1)O2	4899.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)=C(C1=CC=C(O)C=C1)O2	4928.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)=C(C1=CC=C(O)C=C1)O2	4910.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4932.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)=C(C1=CC=C(O)C=C1)O2	4885.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4904.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #22	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4914.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #23	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4942.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #24	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4929.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #25	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4899.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #26	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4915.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #27	C[Si](C)(C)O[C@H]1[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	4899.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #28	C[Si](C)(C)O[C@H]1[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4926.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #29	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@@H]1CO[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	4902.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4925.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #30	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)[C@H]1O	4891.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #31	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1O	4883.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #32	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1O	4906.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #33	C[Si](C)(C)O[C@@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C	4906.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #34	C[Si](C)(C)O[C@@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	4911.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #35	C[Si](C)(C)O[C@@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	4934.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #36	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4938.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4930.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4917.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4944.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	4950.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4930.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TMS,isomer #9	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4907.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4855.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4818.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4854.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	4852.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4835.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4830.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4808.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4845.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	4839.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4821.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4850.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4838.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4871.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	4869.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4858.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4867.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	4848.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4836.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4883.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #27	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4870.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #28	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4866.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #29	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4779.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4852.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #30	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4805.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #31	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4793.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #32	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4753.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #33	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4774.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #34	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4837.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #35	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4858.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #36	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4815.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #37	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4776.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #38	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4802.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #39	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4822.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4833.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #40	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4837.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #41	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4801.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #42	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4829.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #43	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4843.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #44	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4801.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #45	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4799.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #46	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4834.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #47	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4784.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #48	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4790.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #49	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4821.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4868.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #50	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	4800.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #51	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	4821.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #52	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	4811.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #53	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	4772.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #54	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	4792.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #55	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)=C(C1=CC=C(O)C=C1)O2	4840.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #56	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)=C(C1=CC=C(O)C=C1)O2	4800.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #57	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)=C(C1=CC=C(O)C=C1)O2	4762.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #58	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4785.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #59	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)=C(C1=CC=C(O)C=C1)O2	4823.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	4860.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #60	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)=C(C1=CC=C(O)C=C1)O2	4789.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #61	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4814.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #62	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)=C(C1=CC=C(O)C=C1)O2	4785.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #63	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4784.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #64	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4769.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #65	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4860.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #66	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4828.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #67	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4790.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #68	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4812.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #69	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4846.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4848.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #70	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4811.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #71	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4834.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #72	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4811.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #73	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4807.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #74	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4796.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #75	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4862.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #76	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@@H]1CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]1O	4829.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #77	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1O	4810.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #78	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@@H]1CO[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O[Si](C)(C)C	4840.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #79	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1O	4826.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4823.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #80	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)[C@H]1O[Si](C)(C)C	4833.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #81	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]1O	4835.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #82	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O	4825.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #83	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]1OC[C@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4841.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #84	C[Si](C)(C)O[C@@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	4872.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,3TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4841.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4773.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	4759.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #100	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	4712.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #101	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	4693.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #102	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)=C(C1=CC=C(O)C=C1)O2	4757.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #103	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)=C(C1=CC=C(O)C=C1)O2	4717.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #104	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4752.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #105	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)=C(C1=CC=C(O)C=C1)O2	4707.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #106	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4708.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #107	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4693.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #108	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)=C(C1=CC=C(O)C=C1)O2	4732.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #109	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4728.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4740.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #110	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4720.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #111	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4730.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #112	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4788.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #113	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4749.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #114	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4781.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #115	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4739.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #116	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4741.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #117	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4724.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #118	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4759.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #119	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4759.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4770.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #120	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4746.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #121	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4756.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #122	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]1O	4794.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #123	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@@H]1CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4801.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #124	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1O[Si](C)(C)C	4792.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #125	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4807.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #126	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4800.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4787.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	4786.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4770.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4789.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	4757.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4742.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4799.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4769.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4785.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4791.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4729.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4697.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4749.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	4738.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4720.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #27	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4754.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #28	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4770.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #29	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	4771.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4741.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #30	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4754.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #31	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4772.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #32	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	4739.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #33	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4720.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #34	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4783.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #35	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4766.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #36	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4780.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #37	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4739.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #38	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4755.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #39	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	4753.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4790.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #40	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4737.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #41	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4757.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #42	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	4725.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #43	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4705.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #44	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4765.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #45	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4749.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #46	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4764.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #47	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4833.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #48	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	4798.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #49	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4787.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	4777.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #50	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4808.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #51	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4803.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #52	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4813.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #53	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4808.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #54	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4799.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #55	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4779.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #56	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4821.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #57	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4738.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #58	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4696.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #59	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4649.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4760.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #60	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4678.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #61	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4725.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #62	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4721.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #63	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4674.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #64	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4705.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #65	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4745.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #66	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4689.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #67	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4688.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #68	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4739.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #69	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4671.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4754.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #70	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4700.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #71	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4720.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #72	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4774.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #73	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4731.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #74	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4769.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #75	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4777.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #76	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4722.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #77	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4725.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #78	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4740.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #79	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4708.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4727.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #80	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4698.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #81	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4722.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #82	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	4747.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #83	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4745.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #84	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4762.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #85	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4734.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #86	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4720.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #87	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4746.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #88	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4746.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #89	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4732.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4775.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #90	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4733.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #91	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4714.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #92	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	4757.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #93	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	4723.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #94	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	4681.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #95	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	4702.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #96	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	4743.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #97	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	4703.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #98	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	4725.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,4TMS,isomer #99	C[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	4711.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	5263.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	5250.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)=C(C1=CC=C(O)C=C1)O2	5245.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5251.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	5229.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)[C@H]1O	5216.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	5238.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]1OC[C@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@@H](O)[C@@H]1O	5279.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	5247.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	5332.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	5306.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	5336.1	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	5295.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	5282.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	5286.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1	5321.4	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1	5310.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)=C(C1=CC=C(O)C=C1)O2	5301.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)=C(C1=CC=C(O)C=C1)O2	5331.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)=C(C1=CC=C(O)C=C1)O2	5294.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	5322.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)=C(C1=CC=C(O)C=C1)O2	5284.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C=C1)O2	5281.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5312.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5340.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5304.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5289.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5288.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	5300.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	5328.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@@H]1CO[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	5280.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	5323.5	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)[C@H]1O	5276.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H]1O	5296.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1O	5321.9	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5293.6	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	5311.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	5337.2	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	5356.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	5321.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	5315.3	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	5331.7	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5357.0	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5328.8	Semi standard non polar	33892256
Kaempferol 3-xylosylglucoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C=C3)OC2=C1	5303.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-03di-9450160000-e39c4c2c08a314bcc20d	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (1 TMS) - 70eV, Positive	splash10-053i-5974117000-4b49fe340adb6276a610	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS ("Kaempferol 3-xylosylglucoside,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-xylosylglucoside GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-xylosylglucoside 10V, Positive-QTOF	splash10-01q0-1190170000-9b51653830ebcac8cd66	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-xylosylglucoside 20V, Positive-QTOF	splash10-000i-0190100000-d64f10a98b8e217a7edd	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-xylosylglucoside 40V, Positive-QTOF	splash10-000i-1690000000-f068db87f57e2f1f227e	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-xylosylglucoside 10V, Negative-QTOF	splash10-004s-2480390000-b1069a21232e8394d1ab	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-xylosylglucoside 20V, Negative-QTOF	splash10-000i-0690010000-45970f821fc2608d121d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-xylosylglucoside 40V, Negative-QTOF	splash10-000i-2690000000-513ccb171fe0635eac73	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-xylosylglucoside 10V, Positive-QTOF	splash10-000i-0090020000-e2b11701562d857b4481	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-xylosylglucoside 20V, Positive-QTOF	splash10-0020-0090090000-cb544898cf215edf9ac1	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-xylosylglucoside 40V, Positive-QTOF	splash10-000i-0090000000-03ec6f5113b2bb58d5cf	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-xylosylglucoside 10V, Negative-QTOF	splash10-004i-0000090000-f4bc41162d556bcc9cac	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-xylosylglucoside 20V, Negative-QTOF	splash10-004i-0050090000-b0eb934209dae4af96c3	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-xylosylglucoside 40V, Negative-QTOF	splash10-001i-0090000000-0be0139a76575f242d1d	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

367

FooDB ID

FDB019115

KNApSAcK ID

Not Available

Chemspider ID

30777351

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131752667

PDB ID

Not Available

ChEBI ID

176244

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Kaempferol 3-xylosylglucoside (HMDB0039507)

MOL for HMDB0039507 (Kaempferol 3-xylosylglucoside)

3D MOL for HMDB0039507 (Kaempferol 3-xylosylglucoside)

3D SDF for HMDB0039507 (Kaempferol 3-xylosylglucoside)

3D-SDF for HMDB0039507 (Kaempferol 3-xylosylglucoside)

PDB for HMDB0039507 (Kaempferol 3-xylosylglucoside)

3D PDB for HMDB0039507 (Kaempferol 3-xylosylglucoside)

SMILES for HMDB0039507 (Kaempferol 3-xylosylglucoside)

INCHI for HMDB0039507 (Kaempferol 3-xylosylglucoside)

Structure for HMDB0039507 (Kaempferol 3-xylosylglucoside)

3D Structure for HMDB0039507 (Kaempferol 3-xylosylglucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra