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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 22:49:27 UTC

Update Date

2022-03-07 02:55:24 UTC

HMDB ID

HMDB0037573

Secondary Accession Numbers

HMDB37573

Metabolite Identification

Common Name

Kaempferol 3-neohesperidoside

Description

Kaempferol 3-neohesperidoside 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-neohesperidoside has been detected, but not quantified in, several different foods, such as alcoholic beverages, breakfast cereal, cereals and cereal products, and soy beans (Glycine max). This could make kaempferol 3-neohesperidoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Kaempferol 3-neohesperidoside.

Structure

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


  Mrv0541 05061309522D          

 42 46  0  0  0  0            999 V2000
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  2  0  0  0  0
 10  3  1  0  0  0  0
 11  4  2  0  0  0  0
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 12  7  1  0  0  0  0
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 14  7  2  0  0  0  0
 15  8  1  0  0  0  0
 16 13  2  0  0  0  0
 16 14  1  0  0  0  0
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 24 19  1  0  0  0  0
 24 23  2  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
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 28  8  1  0  0  0  0
 29 11  1  0  0  0  0
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 38  9  1  0  0  0  0
 38 26  1  0  0  0  0
 39 14  1  0  0  0  0
 39 23  1  0  0  0  0
 40 15  1  0  0  0  0
 40 27  1  0  0  0  0
 41 24  1  0  0  0  0
 41 27  1  0  0  0  0
 42 25  1  0  0  0  0
 42 26  1  0  0  0  0
M  END

HMDB0037573
     RDKit          3D
Kaempferol 3-neohesperidoside
 72 76  0  0  0  0  0  0  0  0999 V2000
    5.8470   -1.0696   -2.6309 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7161   -1.1783   -1.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0322    0.0436   -1.5713 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9592   -0.1251   -0.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0263    0.8680   -0.8397 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7557    0.3417   -1.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1698    0.8695   -0.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5394    0.7713   -0.4523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3355   -0.2801    0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0590   -0.1773    1.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1314    0.9908    2.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7183    2.2534    1.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7896    3.2955    2.7025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2899    3.0835    3.9676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3658    4.1154    4.9089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7137    1.8104    4.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6352    0.8002    3.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8002   -2.3727    0.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5589   -3.4657    1.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6349   -4.6515    0.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1422   -3.7255   -1.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4073   -3.8376   -2.1990 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3492   -1.4608   -0.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7027   -1.5961   -1.7904 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1986    2.1861    0.1047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1390    2.9467   -1.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0096    4.4309   -0.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8402    4.7538    0.3139 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7194    2.5296   -2.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3821    3.2319   -3.3257 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3738    1.0562   -2.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0264    0.5733   -3.5666 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5480   -0.1860    0.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5744   -0.0860    1.7042 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3124   -1.4931    0.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4328   -2.5895    0.8114 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3048   -1.5472   -0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8876   -2.8064   -0.4252 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1774   -0.0272   -2.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9937   -1.9555   -1.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4663   -1.1205   -0.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7915   -0.7381   -1.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0587    4.7172   -0.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7480    4.9765    0.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7913    2.5762   -1.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6932    4.1703   -3.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7166    1.0361   -2.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9604    0.8310   -3.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3122    0.6220    0.8039 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1252   -2.8013    1.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1019   -0.8098   -0.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6982   -2.8106    0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
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 37 67  1  0
 38 68  1  0
 39 69  1  0
 40 70  1  0
 41 71  1  0
 42 72  1  0
M  END


  Mrv0541 05061309522D          

 42 46  0  0  0  0            999 V2000
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  2  0  0  0  0
 10  3  1  0  0  0  0
 11  4  2  0  0  0  0
 11  5  1  0  0  0  0
 12  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  2  0  0  0  0
 15  8  1  0  0  0  0
 16 13  2  0  0  0  0
 16 14  1  0  0  0  0
 17  9  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 10  1  0  0  0  0
 24 19  1  0  0  0  0
 24 23  2  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 27 25  1  0  0  0  0
 28  8  1  0  0  0  0
 29 11  1  0  0  0  0
 30 12  1  0  0  0  0
 31 13  1  0  0  0  0
 32 17  1  0  0  0  0
 33 18  1  0  0  0  0
 34 19  2  0  0  0  0
 35 20  1  0  0  0  0
 36 21  1  0  0  0  0
 37 22  1  0  0  0  0
 38  9  1  0  0  0  0
 38 26  1  0  0  0  0
 39 14  1  0  0  0  0
 39 23  1  0  0  0  0
 40 15  1  0  0  0  0
 40 27  1  0  0  0  0
 41 24  1  0  0  0  0
 41 27  1  0  0  0  0
 42 25  1  0  0  0  0
 42 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037573

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H30O15/c1-9-17(32)20(35)22(37)26(38-9)42-25-21(36)18(33)15(8-28)40-27(25)41-24-19(34)16-13(31)6-12(30)7-14(16)39-23(24)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,25-33,35-37H,8H2,1H3

> <INCHI_KEY>
OHOBPOYHROOXEI-UHFFFAOYSA-N

> <FORMULA>
C27H30O15

> <MOLECULAR_WEIGHT>
594.5181

> <EXACT_MASS>
594.15847029

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
56.84733158624567

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
0.05

> <JCHEM_LOGP>
-0.5651956533333328

> <ALOGPS_LOGS>
-2.20

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.440184613518346

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.4338888649579715

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6121826294490695

> <JCHEM_POLAR_SURFACE_AREA>
245.28999999999994

> <JCHEM_REFRACTIVITY>
138.16419999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.72e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037573
     RDKit          3D
Kaempferol 3-neohesperidoside
 72 76  0  0  0  0  0  0  0  0999 V2000
    5.8470   -1.0696   -2.6309 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7161   -1.1783   -1.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0322    0.0436   -1.5713 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9592   -0.1251   -0.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0263    0.8680   -0.8397 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7557    0.3417   -1.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1698    0.8695   -0.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5394    0.7713   -0.4523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3355   -0.2801    0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0590   -0.1773    1.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1314    0.9908    2.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7183    2.2534    1.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7896    3.2955    2.7025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2899    3.0835    3.9676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3658    4.1154    4.9089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7137    1.8104    4.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6352    0.8002    3.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7568   -1.2665    1.5167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8002   -2.3727    0.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5589   -3.4657    1.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6349   -4.6515    0.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3847   -5.7363    1.0366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9102   -4.7876   -0.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1422   -3.7255   -1.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4073   -3.8376   -2.1990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0934   -2.5386   -0.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3492   -1.4608   -0.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7027   -1.5961   -1.7904 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1986    2.1861    0.1047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1390    2.9467   -1.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0096    4.4309   -0.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8402    4.7538    0.3139 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7194    2.5296   -2.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3821    3.2319   -3.3257 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3738    1.0562   -2.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0264    0.5733   -3.5666 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5480   -0.1860    0.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5744   -0.0860    1.7042 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3124   -1.4931    0.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4328   -2.5895    0.8114 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3048   -1.5472   -0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8876   -2.8064   -0.4252 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1774   -0.0272   -2.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4881   -1.3862   -3.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6660   -1.7625   -2.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9937   -1.9555   -1.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4663   -1.1205   -0.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7915   -0.7381   -1.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042    0.2312    0.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3547    2.4628    0.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4557    4.2936    2.4572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0451    5.0233    4.6416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1080    1.6281    5.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9804   -0.2131    3.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1111   -3.3347    2.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3450   -5.8610    0.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9541   -5.7121   -1.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4028   -4.6648   -2.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1773    2.6831   -1.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3677    4.9447   -1.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587    4.7172   -0.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7480    4.9765    0.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7913    2.5762   -1.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6932    4.1703   -3.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7166    1.0361   -2.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9604    0.8310   -3.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3122    0.6220    0.8039 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9425    0.4759    2.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8649   -1.4491    1.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1252   -2.8013    1.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1019   -0.8098   -0.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6982   -2.8106    0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 10 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 27 28  2  0
  7 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 30 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
  4 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41  2  1  0
 35  6  1  0
 27  9  1  0
 17 11  1  0
 26 19  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  2 46  1  0
  4 47  1  0
  6 48  1  0
  7 49  1  0
 12 50  1  0
 13 51  1  0
 15 52  1  0
 16 53  1  0
 17 54  1  0
 20 55  1  0
 22 56  1  0
 23 57  1  0
 25 58  1  0
 30 59  1  0
 31 60  1  0
 31 61  1  0
 32 62  1  0
 33 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 38 68  1  0
 39 69  1  0
 40 70  1  0
 41 71  1  0
 42 72  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      10.669  -9.240   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      13.337  -7.700   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      13.337  -4.620   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      10.669  -3.080   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       9.336  -6.930   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       8.002  -4.620   0.000  0.00  0.00           O+0
CONECT    1    9                                                            
CONECT    2    4   10                                                       
CONECT    3    5   10                                                       
CONECT    4    2   11                                                       
CONECT    5    3   11                                                       
CONECT    6   12   13                                                       
CONECT    7   12   14                                                       
CONECT    8   15   28                                                       
CONECT    9    1   17   38                                                  
CONECT   10    2    3   23                                                  
CONECT   11    4    5   29                                                  
CONECT   12    6    7   30                                                  
CONECT   13    6   16   31                                                  
CONECT   14    7   16   39                                                  
CONECT   15    8   18   40                                                  
CONECT   16   13   14   19                                                  
CONECT   17    9   20   32                                                  
CONECT   18   15   21   33                                                  
CONECT   19   16   24   34                                                  
CONECT   20   17   22   35                                                  
CONECT   21   18   25   36                                                  
CONECT   22   20   26   37                                                  
CONECT   23   10   24   39                                                  
CONECT   24   19   23   41                                                  
CONECT   25   21   27   42                                                  
CONECT   26   22   38   42                                                  
CONECT   27   25   40   41                                                  
CONECT   28    8                                                            
CONECT   29   11                                                            
CONECT   30   12                                                            
CONECT   31   13                                                            
CONECT   32   17                                                            
CONECT   33   18                                                            
CONECT   34   19                                                            
CONECT   35   20                                                            
CONECT   36   21                                                            
CONECT   37   22                                                            
CONECT   38    9   26                                                       
CONECT   39   14   23                                                       
CONECT   40   15   27                                                       
CONECT   41   24   27                                                       
CONECT   42   25   26                                                       
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

COMPND    HMDB0037573
HETATM    1  C1  UNL     1       5.847  -1.070  -2.631  1.00  0.00           C  
HETATM    2  C2  UNL     1       4.716  -1.178  -1.637  1.00  0.00           C  
HETATM    3  O1  UNL     1       4.032   0.044  -1.571  1.00  0.00           O  
HETATM    4  C3  UNL     1       2.959  -0.125  -0.676  1.00  0.00           C  
HETATM    5  O2  UNL     1       2.026   0.868  -0.840  1.00  0.00           O  
HETATM    6  C4  UNL     1       0.756   0.342  -1.183  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.170   0.870  -0.081  1.00  0.00           C  
HETATM    8  O3  UNL     1      -1.539   0.771  -0.452  1.00  0.00           O  
HETATM    9  C6  UNL     1      -2.336  -0.280   0.031  1.00  0.00           C  
HETATM   10  C7  UNL     1      -3.059  -0.177   1.180  1.00  0.00           C  
HETATM   11  C8  UNL     1      -3.131   0.991   2.050  1.00  0.00           C  
HETATM   12  C9  UNL     1      -2.718   2.253   1.768  1.00  0.00           C  
HETATM   13  C10 UNL     1      -2.790   3.296   2.702  1.00  0.00           C  
HETATM   14  C11 UNL     1      -3.290   3.083   3.968  1.00  0.00           C  
HETATM   15  O4  UNL     1      -3.366   4.115   4.909  1.00  0.00           O  
HETATM   16  C12 UNL     1      -3.714   1.810   4.269  1.00  0.00           C  
HETATM   17  C13 UNL     1      -3.635   0.800   3.338  1.00  0.00           C  
HETATM   18  O5  UNL     1      -3.757  -1.267   1.517  1.00  0.00           O  
HETATM   19  C14 UNL     1      -3.800  -2.373   0.857  1.00  0.00           C  
HETATM   20  C15 UNL     1      -4.559  -3.466   1.283  1.00  0.00           C  
HETATM   21  C16 UNL     1      -4.635  -4.652   0.619  1.00  0.00           C  
HETATM   22  O6  UNL     1      -5.385  -5.736   1.037  1.00  0.00           O  
HETATM   23  C17 UNL     1      -3.910  -4.788  -0.560  1.00  0.00           C  
HETATM   24  C18 UNL     1      -3.142  -3.726  -1.020  1.00  0.00           C  
HETATM   25  O7  UNL     1      -2.407  -3.838  -2.199  1.00  0.00           O  
HETATM   26  C19 UNL     1      -3.093  -2.539  -0.315  1.00  0.00           C  
HETATM   27  C20 UNL     1      -2.349  -1.461  -0.726  1.00  0.00           C  
HETATM   28  O8  UNL     1      -1.703  -1.596  -1.790  1.00  0.00           O  
HETATM   29  O9  UNL     1       0.199   2.186   0.105  1.00  0.00           O  
HETATM   30  C21 UNL     1      -0.139   2.947  -1.010  1.00  0.00           C  
HETATM   31  C22 UNL     1       0.010   4.431  -0.738  1.00  0.00           C  
HETATM   32  O10 UNL     1      -0.840   4.754   0.314  1.00  0.00           O  
HETATM   33  C23 UNL     1       0.719   2.530  -2.196  1.00  0.00           C  
HETATM   34  O11 UNL     1       0.382   3.232  -3.326  1.00  0.00           O  
HETATM   35  C24 UNL     1       0.374   1.056  -2.460  1.00  0.00           C  
HETATM   36  O12 UNL     1       1.026   0.573  -3.567  1.00  0.00           O  
HETATM   37  C25 UNL     1       3.548  -0.186   0.713  1.00  0.00           C  
HETATM   38  O13 UNL     1       2.574  -0.086   1.704  1.00  0.00           O  
HETATM   39  C26 UNL     1       4.312  -1.493   0.822  1.00  0.00           C  
HETATM   40  O14 UNL     1       3.433  -2.590   0.811  1.00  0.00           O  
HETATM   41  C27 UNL     1       5.305  -1.547  -0.296  1.00  0.00           C  
HETATM   42  O15 UNL     1       5.888  -2.806  -0.425  1.00  0.00           O  
HETATM   43  H1  UNL     1       6.177  -0.027  -2.726  1.00  0.00           H  
HETATM   44  H2  UNL     1       5.488  -1.386  -3.641  1.00  0.00           H  
HETATM   45  H3  UNL     1       6.666  -1.762  -2.312  1.00  0.00           H  
HETATM   46  H4  UNL     1       3.994  -1.955  -1.997  1.00  0.00           H  
HETATM   47  H5  UNL     1       2.466  -1.120  -0.859  1.00  0.00           H  
HETATM   48  H6  UNL     1       0.792  -0.738  -1.243  1.00  0.00           H  
HETATM   49  H7  UNL     1      -0.004   0.231   0.803  1.00  0.00           H  
HETATM   50  H8  UNL     1      -2.355   2.463   0.790  1.00  0.00           H  
HETATM   51  H9  UNL     1      -2.456   4.294   2.457  1.00  0.00           H  
HETATM   52  H10 UNL     1      -3.045   5.023   4.642  1.00  0.00           H  
HETATM   53  H11 UNL     1      -4.108   1.628   5.256  1.00  0.00           H  
HETATM   54  H12 UNL     1      -3.980  -0.213   3.603  1.00  0.00           H  
HETATM   55  H13 UNL     1      -5.111  -3.335   2.200  1.00  0.00           H  
HETATM   56  H14 UNL     1      -6.345  -5.861   0.751  1.00  0.00           H  
HETATM   57  H15 UNL     1      -3.954  -5.712  -1.100  1.00  0.00           H  
HETATM   58  H16 UNL     1      -2.403  -4.665  -2.748  1.00  0.00           H  
HETATM   59  H17 UNL     1      -1.177   2.683  -1.287  1.00  0.00           H  
HETATM   60  H18 UNL     1      -0.368   4.945  -1.667  1.00  0.00           H  
HETATM   61  H19 UNL     1       1.059   4.717  -0.566  1.00  0.00           H  
HETATM   62  H20 UNL     1      -1.748   4.976   0.034  1.00  0.00           H  
HETATM   63  H21 UNL     1       1.791   2.576  -1.953  1.00  0.00           H  
HETATM   64  H22 UNL     1       0.693   4.170  -3.244  1.00  0.00           H  
HETATM   65  H23 UNL     1      -0.717   1.036  -2.653  1.00  0.00           H  
HETATM   66  H24 UNL     1       1.960   0.831  -3.651  1.00  0.00           H  
HETATM   67  H25 UNL     1       4.312   0.622   0.804  1.00  0.00           H  
HETATM   68  H26 UNL     1       2.943   0.476   2.436  1.00  0.00           H  
HETATM   69  H27 UNL     1       4.865  -1.449   1.783  1.00  0.00           H  
HETATM   70  H28 UNL     1       3.125  -2.801   1.739  1.00  0.00           H  
HETATM   71  H29 UNL     1       6.102  -0.810  -0.081  1.00  0.00           H  
HETATM   72  H30 UNL     1       6.698  -2.811   0.131  1.00  0.00           H  
CONECT    1    2   43   44   45
CONECT    2    3   41   46
CONECT    3    4
CONECT    4    5   37   47
CONECT    5    6
CONECT    6    7   35   48
CONECT    7    8   29   49
CONECT    8    9
CONECT    9   10   10   27
CONECT   10   11   18
CONECT   11   12   12   17
CONECT   12   13   50
CONECT   13   14   14   51
CONECT   14   15   16
CONECT   15   52
CONECT   16   17   17   53
CONECT   17   54
CONECT   18   19
CONECT   19   20   20   26
CONECT   20   21   55
CONECT   21   22   23   23
CONECT   22   56
CONECT   23   24   57
CONECT   24   25   26   26
CONECT   25   58
CONECT   26   27
CONECT   27   28   28
CONECT   29   30
CONECT   30   31   33   59
CONECT   31   32   60   61
CONECT   32   62
CONECT   33   34   35   63
CONECT   34   64
CONECT   35   36   65
CONECT   36   66
CONECT   37   38   39   67
CONECT   38   68
CONECT   39   40   41   69
CONECT   40   70
CONECT   41   42   71
CONECT   42   72
END

HMDB0037573
     RDKit          3D
Kaempferol 3-neohesperidoside
 72 76  0  0  0  0  0  0  0  0999 V2000
    5.8470   -1.0696   -2.6309 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7161   -1.1783   -1.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0322    0.0436   -1.5713 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9592   -0.1251   -0.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0263    0.8680   -0.8397 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7557    0.3417   -1.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1698    0.8695   -0.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5394    0.7713   -0.4523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3355   -0.2801    0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0590   -0.1773    1.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1314    0.9908    2.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7183    2.2534    1.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7896    3.2955    2.7025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2899    3.0835    3.9676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3658    4.1154    4.9089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7137    1.8104    4.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6352    0.8002    3.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7568   -1.2665    1.5167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8002   -2.3727    0.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5589   -3.4657    1.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6349   -4.6515    0.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3847   -5.7363    1.0366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9102   -4.7876   -0.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1422   -3.7255   -1.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4073   -3.8376   -2.1990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0934   -2.5386   -0.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3492   -1.4608   -0.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7027   -1.5961   -1.7904 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1986    2.1861    0.1047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1390    2.9467   -1.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0096    4.4309   -0.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8402    4.7538    0.3139 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7194    2.5296   -2.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3821    3.2319   -3.3257 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3738    1.0562   -2.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0264    0.5733   -3.5666 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5480   -0.1860    0.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5744   -0.0860    1.7042 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3124   -1.4931    0.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4328   -2.5895    0.8114 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3048   -1.5472   -0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8876   -2.8064   -0.4252 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1774   -0.0272   -2.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4881   -1.3862   -3.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6660   -1.7625   -2.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9937   -1.9555   -1.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4663   -1.1205   -0.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7915   -0.7381   -1.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042    0.2312    0.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3547    2.4628    0.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4557    4.2936    2.4572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0451    5.0233    4.6416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1080    1.6281    5.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9804   -0.2131    3.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1111   -3.3347    2.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3450   -5.8610    0.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9541   -5.7121   -1.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4028   -4.6648   -2.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1773    2.6831   -1.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3677    4.9447   -1.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587    4.7172   -0.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7480    4.9765    0.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7913    2.5762   -1.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6932    4.1703   -3.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7166    1.0361   -2.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9604    0.8310   -3.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3122    0.6220    0.8039 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9425    0.4759    2.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8649   -1.4491    1.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1252   -2.8013    1.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1019   -0.8098   -0.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6982   -2.8106    0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 10 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 27 28  2  0
  7 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 30 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
  4 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41  2  1  0
 35  6  1  0
 27  9  1  0
 17 11  1  0
 26 19  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  2 46  1  0
  4 47  1  0
  6 48  1  0
  7 49  1  0
 12 50  1  0
 13 51  1  0
 15 52  1  0
 16 53  1  0
 17 54  1  0
 20 55  1  0
 22 56  1  0
 23 57  1  0
 25 58  1  0
 30 59  1  0
 31 60  1  0
 31 61  1  0
 32 62  1  0
 33 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 38 68  1  0
 39 69  1  0
 40 70  1  0
 41 71  1  0
 42 72  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₇H₃₀O₁₅

Average Molecular Weight

594.5181

Monoisotopic Molecular Weight

594.15847029

IUPAC Name

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

Traditional Name

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

CAS Registry Number

32602-81-6

SMILES

CC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C27H30O15/c1-9-17(32)20(35)22(37)26(38-9)42-25-21(36)18(33)15(8-28)40-27(25)41-24-19(34)16-13(31)6-12(30)7-14(16)39-23(24)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,25-33,35-37H,8H2,1H3

InChI Key

OHOBPOYHROOXEI-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-3-O-glycosides

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0037573)
Cytoplasm (HMDB: HMDB0037573)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037573)

Source

Exogenous

Food

Food (HMDB: HMDB0037573)

Soy

Soy bean (FooDB: FOOD00085)

Cereal and cereal product

Cereal product

Breakfast cereal (FooDB: FOOD00270)

Cereals and cereal products (FooDB: FOOD00858)

Beverage

Alcoholic beverage

Alcoholic beverages (FooDB: FOOD00854)

Not Available

Nutrient (HMDB: HMDB0037573)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	197 - 200 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	3.72 g/L	ALOGPS
logP	0.05	ALOGPS
logP	-0.57	ChemAxon
logS	-2.2	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	6	ChemAxon
Refractivity	138.16 m³·mol⁻¹	ChemAxon
Polarizability	56.85 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]+	226.648	30932474
DeepCCS	[M-H]-	224.382	30932474
DeepCCS	[M-2H]-	257.622	30932474
DeepCCS	[M+Na]+	232.561	30932474
AllCCS	[M+H]+	230.2	32859911
AllCCS	[M+H-H2O]+	228.9	32859911
AllCCS	[M+NH4]+	231.4	32859911
AllCCS	[M+Na]+	231.8	32859911
AllCCS	[M-H]-	225.6	32859911
AllCCS	[M+Na-2H]-	227.6	32859911
AllCCS	[M+HCOO]-	229.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Kaempferol 3-neohesperidoside	CC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	5748.9	Standard polar	33892256
Kaempferol 3-neohesperidoside	CC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	5141.2	Standard non polar	33892256
Kaempferol 3-neohesperidoside	CC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	5548.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Kaempferol 3-neohesperidoside,1TMS,isomer #1	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5356.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,1TMS,isomer #2	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5348.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,1TMS,isomer #3	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5336.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,1TMS,isomer #4	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O	5388.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,1TMS,isomer #5	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O	5378.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,1TMS,isomer #6	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O	5386.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,1TMS,isomer #7	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5349.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,1TMS,isomer #8	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5345.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,1TMS,isomer #9	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5357.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #1	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5278.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #10	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5273.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #11	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5262.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #12	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5281.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #13	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5244.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #14	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5230.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #15	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5253.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #16	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5276.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #17	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5276.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #18	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5266.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #19	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5241.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #2	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5277.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #20	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5229.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #21	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5250.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #22	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O	5297.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #23	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O	5259.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #24	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5268.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #25	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5244.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #26	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5278.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #27	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O	5282.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #28	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5260.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #29	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5233.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #3	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5266.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #30	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5271.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #31	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5266.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #32	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5246.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #33	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5276.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #34	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5252.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #35	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5247.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #36	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5265.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #4	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5271.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #5	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5275.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #6	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5259.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #7	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5236.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #8	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5261.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TMS,isomer #9	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5273.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #1	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5154.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #10	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5142.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #11	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5120.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #12	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5087.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #13	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5132.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #14	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5117.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #15	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5113.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #16	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5088.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #17	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5050.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #18	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5106.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #19	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5201.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #2	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5126.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #20	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5124.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #21	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5097.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #22	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5135.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #23	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5104.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #24	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5080.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #25	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5118.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #26	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5088.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #27	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5101.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #28	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5101.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #29	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5162.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #3	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5149.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #30	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5135.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #31	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5181.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #32	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5132.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #33	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5100.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #34	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5150.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #35	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5102.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #36	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5173.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #37	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5116.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #38	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5087.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #39	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5133.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #4	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5156.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #40	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5154.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #41	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5085.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #42	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5051.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #43	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5107.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #44	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5160.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #45	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5141.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #46	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5176.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #47	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5085.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #48	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5091.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #49	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5095.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #5	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5135.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #50	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5178.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #51	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5152.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #52	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5149.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #53	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5118.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #54	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5164.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #55	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5122.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #56	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5127.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #57	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5100.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #58	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5146.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #59	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5101.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #6	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5095.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #60	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5069.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #61	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5123.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #62	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5109.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #63	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5116.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #64	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5118.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #65	CC1OC(OC2C(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)OC(CO)C(O)C2O)C(O)C(O)C1O	5150.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #66	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5169.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #67	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5125.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #68	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5177.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #69	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5107.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #7	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5145.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #70	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5063.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #71	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5122.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #72	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5119.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #73	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5128.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #74	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5125.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #75	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5133.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #76	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5087.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #77	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5149.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #78	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5082.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #79	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5098.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #8	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5097.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #80	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5096.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #81	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5133.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #82	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5135.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #83	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5132.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #84	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5115.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,3TMS,isomer #9	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5137.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #1	CC1OC(OC2C(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)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4987.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #10	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4922.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #100	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5034.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #101	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5029.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #102	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4979.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #103	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4930.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #104	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5009.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #105	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4999.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #106	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5014.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #107	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5015.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #108	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4960.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #109	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4976.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #11	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4995.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #110	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4978.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #111	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5026.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #112	CC1OC(OC2C(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)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5002.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #113	CC1OC(OC2C(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)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4940.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #114	CC1OC(OC2C(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)OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5022.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #115	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5010.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #116	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5024.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #117	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5017.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #118	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4944.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #119	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4955.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #12	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5081.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #120	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4950.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #121	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5006.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #122	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4974.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #123	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4991.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #124	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4983.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #125	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4968.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #126	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5021.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #13	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5027.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #14	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4982.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #15	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5045.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #16	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5007.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #17	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4964.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #18	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5026.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #19	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4972.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #2	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5044.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #20	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4993.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #21	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4985.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #22	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4993.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #23	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4979.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #24	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4942.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #25	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4885.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #26	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4969.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #27	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5073.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #28	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5011.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #29	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4973.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #3	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5038.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #30	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5037.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #31	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4992.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #32	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4955.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #33	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5018.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #34	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4966.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #35	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4981.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #36	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4976.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #37	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5048.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #38	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4976.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #39	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4932.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #4	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5010.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #40	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5006.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #41	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4954.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #42	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4916.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #43	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4984.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #44	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4924.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #45	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4939.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #46	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4935.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #47	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5066.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #48	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5037.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #49	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5083.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #5	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4959.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #50	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4995.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #51	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5009.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #52	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5015.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #53	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4957.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #54	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4974.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #55	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4976.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #56	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4982.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #57	CC1OC(OC2C(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)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4998.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #58	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5066.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #59	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5015.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #6	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5027.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #60	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4967.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #61	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5035.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #62	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5041.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #63	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4981.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #64	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4932.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #65	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5004.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #66	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5053.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #67	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5012.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #68	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5071.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #69	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4978.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #7	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5014.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #70	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4999.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #71	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4996.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #72	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5018.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #73	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4946.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #74	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4897.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #75	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4978.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #76	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5040.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #77	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5004.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #78	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5067.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #79	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4968.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #8	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5003.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #80	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4982.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #81	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4981.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #82	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5008.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #83	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4969.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #84	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5040.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #85	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4926.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #86	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4940.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #87	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4939.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #88	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5026.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #89	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5043.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #9	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4974.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #90	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5045.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #91	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4982.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #92	CC1OC(OC2C(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)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5036.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #93	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5052.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #94	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4999.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #95	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5067.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #96	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5017.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #97	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4964.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #98	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5038.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,4TMS,isomer #99	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5013.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,1TBDMS,isomer #1	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5590.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,1TBDMS,isomer #2	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5589.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,1TBDMS,isomer #3	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	5545.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,1TBDMS,isomer #4	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O	5577.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,1TBDMS,isomer #5	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O	5556.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,1TBDMS,isomer #6	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O	5571.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,1TBDMS,isomer #7	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5587.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,1TBDMS,isomer #8	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5587.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,1TBDMS,isomer #9	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5601.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #1	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5642.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #10	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5640.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #11	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5613.7	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #12	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5646.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #13	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5584.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #14	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5585.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #15	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5631.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #16	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	5647.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #17	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	5638.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #18	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	5612.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #19	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5592.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #2	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5642.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #20	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5588.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #21	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5628.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #22	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O	5661.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #23	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O	5610.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #24	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5609.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #25	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5603.9	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #26	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5648.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #27	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O	5638.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #28	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5586.6	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #29	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5579.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #3	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5614.4	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #30	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5624.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #31	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5607.1	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #32	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5600.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #33	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5647.2	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #34	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	5586.5	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #35	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	5602.0	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #36	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5614.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #4	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5641.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #5	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5634.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #6	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5595.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #7	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5588.8	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #8	CC1OC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5636.3	Semi standard non polar	33892256
Kaempferol 3-neohesperidoside,2TBDMS,isomer #9	CC1OC(OC2C(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5640.5	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-neohesperidoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-05e9-9411280000-4bb4a74be4b61cd42af0	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-neohesperidoside GC-MS (1 TMS) - 70eV, Positive	splash10-0kft-9411027000-1fa31754d6af1c9be6c5	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-neohesperidoside GC-MS ("Kaempferol 3-neohesperidoside,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-neohesperidoside 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-neohesperidoside 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-neohesperidoside 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-neohesperidoside 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-neohesperidoside 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-neohesperidoside 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-neohesperidoside 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-neohesperidoside 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-neohesperidoside 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-neohesperidoside 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-neohesperidoside 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-neohesperidoside 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-neohesperidoside 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-neohesperidoside 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-neohesperidoside 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-neohesperidoside 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-neohesperidoside 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-neohesperidoside 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-neohesperidoside 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-neohesperidoside 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-neohesperidoside 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-neohesperidoside 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-neohesperidoside 10V, Positive-QTOF	splash10-000j-0290750000-fc8c6ec15621f3422717	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-neohesperidoside 20V, Positive-QTOF	splash10-000i-0190300000-bbc7fb0b11bb94b8076c	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-neohesperidoside 40V, Positive-QTOF	splash10-000i-1690100000-053890c46d763ed9795e	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-neohesperidoside 10V, Positive-QTOF	splash10-000j-0290750000-fc8c6ec15621f3422717	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-neohesperidoside 20V, Positive-QTOF	splash10-000i-0190300000-bbc7fb0b11bb94b8076c	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-neohesperidoside 40V, Positive-QTOF	splash10-000i-1690100000-053890c46d763ed9795e	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-neohesperidoside 10V, Negative-QTOF	splash10-002v-3462790000-57943284320a7bb55552	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-neohesperidoside 20V, Negative-QTOF	splash10-000j-2691310000-5d3ef6d9d6c9e916f465	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-neohesperidoside 40V, Negative-QTOF	splash10-000i-6690000000-54987ad0ec8bddc73439	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-neohesperidoside 10V, Negative-QTOF	splash10-002v-3462790000-57943284320a7bb55552	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-neohesperidoside 20V, Negative-QTOF	splash10-000j-2691310000-5d3ef6d9d6c9e916f465	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-neohesperidoside 40V, Negative-QTOF	splash10-000i-6690000000-54987ad0ec8bddc73439	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-neohesperidoside 10V, Positive-QTOF	splash10-000i-0090020000-169ebb44d50a4124cb0d	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-neohesperidoside 20V, Positive-QTOF	splash10-000b-0090090000-6c63218d27f624537079	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-neohesperidoside 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-neohesperidoside 10V, Negative-QTOF	splash10-0006-0000090000-aa4f39d4b1dddc52ff15	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-neohesperidoside 20V, Negative-QTOF	splash10-0006-0050090000-788103100cf62fddb95c	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-neohesperidoside 40V, Negative-QTOF	splash10-001i-0090000000-4ae644988c454965659a	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

Not Available

FooDB ID

FDB016665

KNApSAcK ID

C00005167

Chemspider ID

57487391

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

13915496

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Kaempferol 3-neohesperidoside (HMDB0037573)

MOL for HMDB0037573 (Kaempferol 3-neohesperidoside)

3D MOL for HMDB0037573 (Kaempferol 3-neohesperidoside)

3D SDF for HMDB0037573 (Kaempferol 3-neohesperidoside)

3D-SDF for HMDB0037573 (Kaempferol 3-neohesperidoside)

PDB for HMDB0037573 (Kaempferol 3-neohesperidoside)

3D PDB for HMDB0037573 (Kaempferol 3-neohesperidoside)

SMILES for HMDB0037573 (Kaempferol 3-neohesperidoside)

INCHI for HMDB0037573 (Kaempferol 3-neohesperidoside)

Structure for HMDB0037573 (Kaempferol 3-neohesperidoside)

3D Structure for HMDB0037573 (Kaempferol 3-neohesperidoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra