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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:06:33 UTC

Update Date

2022-03-07 02:55:32 UTC

HMDB ID

HMDB0037850

Secondary Accession Numbers

HMDB37850

Metabolite Identification

Common Name

Myricetin 3,3'-digalactoside

Description

Myricetin 3,3'-digalactoside 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. Myricetin 3,3'-digalactoside has been detected, but not quantified in, herbs and spices. This could make myricetin 3,3'-digalactoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Myricetin 3,3'-digalactoside.

Structure

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


  Mrv0541 05061310022D          

 45 49  0  0  0  0            999 V2000
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    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   -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
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    5.0013    3.7125    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
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0013    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  1  1  0  0  0  0
 11  4  2  0  0  0  0
 12  2  2  0  0  0  0
 13  5  1  0  0  0  0
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 19 15  1  0  0  0  0
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 26 22  1  0  0  0  0
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 42 26  1  0  0  0  0
 43 13  1  0  0  0  0
 43 26  1  0  0  0  0
 44 14  1  0  0  0  0
 44 27  1  0  0  0  0
 45 25  1  0  0  0  0
 45 27  1  0  0  0  0
M  END

HMDB0037850
     RDKit          3D
Myricetin 3,3'-digalactoside
 75 79  0  0  0  0  0  0  0  0999 V2000
   -4.6687    2.4485   -1.2072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4273    2.4357   -1.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6299    1.3068   -1.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1794    0.1172   -1.5942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7724   -0.8028   -0.7109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0105   -1.9305   -0.5209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5331   -2.7924    0.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4094   -2.2544    1.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0776   -2.0507    2.1377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9805   -3.1461    0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5057   -3.6516    1.3957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8309   -1.9605   -0.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0298   -2.4213   -0.7260 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7777   -0.2626   -1.9148 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7503   -0.6348    2.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8001   -1.2739    1.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9850    0.4299    2.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5070    0.4518    0.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6484   -1.8868   -1.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3012    0.2678   -1.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1529    4.9557    0.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5302    5.5522   -0.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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  7 10  1  0
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 12 14  1  0
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  3 16  2  0
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 34 25  1  0
  5 46  1  0
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 34 69  1  0
 35 70  1  0
 36 71  1  0
 39 72  1  0
 41 73  1  0
 42 74  1  0
 44 75  1  0
M  END


  Mrv0541 05061310022D          

 45 49  0  0  0  0            999 V2000
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    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -1.6500    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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    1.4289   -4.9500    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
    5.0013   -0.4125    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
    6.4302    3.7125    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
    5.0013    4.5375    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
    3.5724    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    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
  7  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  1  1  0  0  0  0
 11  4  2  0  0  0  0
 12  2  2  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16 10  2  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  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 21  1  0  0  0  0
 24  7  1  0  0  0  0
 25 19  1  0  0  0  0
 25 24  2  0  0  0  0
 26 22  1  0  0  0  0
 27 23  1  0  0  0  0
 28  5  1  0  0  0  0
 29  6  1  0  0  0  0
 30  8  1  0  0  0  0
 31  9  1  0  0  0  0
 32 10  1  0  0  0  0
 33 16  1  0  0  0  0
 34 17  1  0  0  0  0
 35 18  1  0  0  0  0
 36 19  2  0  0  0  0
 37 20  1  0  0  0  0
 38 21  1  0  0  0  0
 39 22  1  0  0  0  0
 40 23  1  0  0  0  0
 41 11  1  0  0  0  0
 41 24  1  0  0  0  0
 42 12  1  0  0  0  0
 42 26  1  0  0  0  0
 43 13  1  0  0  0  0
 43 26  1  0  0  0  0
 44 14  1  0  0  0  0
 44 27  1  0  0  0  0
 45 25  1  0  0  0  0
 45 27  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037850

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=CC(=CC(O)=C2O)C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H30O18/c28-5-13-17(34)20(37)22(39)26(43-13)42-12-2-7(1-10(32)16(12)33)24-25(19(36)15-9(31)3-8(30)4-11(15)41-24)45-27-23(40)21(38)18(35)14(6-29)44-27/h1-4,13-14,17-18,20-23,26-35,37-40H,5-6H2

> <INCHI_KEY>
FEWRYXXFMHQZRI-UHFFFAOYSA-N

> <FORMULA>
C27H30O18

> <MOLECULAR_WEIGHT>
642.5163

> <EXACT_MASS>
642.143214156

> <JCHEM_ACCEPTOR_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
59.75652484172976

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
12

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-0.78

> <JCHEM_LOGP>
-2.716468711

> <ALOGPS_LOGS>
-1.97

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.654141710828112

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.435508731587348

> <JCHEM_PKA_STRONGEST_BASIC>
-3.678947804460833

> <JCHEM_POLAR_SURFACE_AREA>
305.9800000000001

> <JCHEM_REFRACTIVITY>
143.4008

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.93e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037850
     RDKit          3D
Myricetin 3,3'-digalactoside
 75 79  0  0  0  0  0  0  0  0999 V2000
   -4.6687    2.4485   -1.2072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4273    2.4357   -1.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6299    1.3068   -1.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1794    0.1172   -1.5942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7724   -0.8028   -0.7109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0105   -1.9305   -0.5209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5331   -2.7924    0.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4094   -2.2544    1.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0776   -2.0507    2.1377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9805   -3.1461    0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5057   -3.6516    1.3957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8309   -1.9605   -0.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0298   -2.4213   -0.7260 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7028   -2.5415   -1.4195 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1545   -0.1061   -0.0275 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3507   -0.7175    0.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5151   -0.9448    1.5390 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7503   -0.6348    2.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8589   -1.3070    3.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1134   -1.0020    3.9291 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8001   -1.2739    1.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3678   -2.5282    0.7705 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2431   -1.0948   -1.2256 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4447    0.2024   -0.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2874    1.4753    0.1544 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9777    0.5964   -0.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969    2.6551   -0.6781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4936    3.7359   -0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9093    4.9268   -0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    6.0519    0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0730    7.2716    0.4453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0293    5.9780   -0.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6167    4.7778   -0.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9803    4.7364   -0.6741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8615    3.6391   -0.6867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9863   -0.3529    0.2847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9532   -3.7375    0.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0614   -1.3973    2.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7751   -3.0801    2.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9519   -1.2723    2.7489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0991   -3.9133   -0.5661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1238   -3.0139    1.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9760   -1.3050    0.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4410   -1.6446   -1.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7980   -2.0586   -2.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2122   -0.5961   -2.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3701   -0.9428   -2.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8341   -3.6593   -2.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5818   -3.4014   -1.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4075   -1.7050   -0.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9850    0.4299    2.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0535   -0.9480    4.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7174   -2.3962    3.3026 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3774   -0.1149    3.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7905   -1.3051    1.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8601   -3.2727    1.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5070    0.4518    0.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6484   -1.8868   -1.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3012    0.2678   -1.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6751    2.1678   -0.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1764    1.5117   -0.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1529    4.9557    0.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7596    7.9149   -0.2892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5899    6.8780    0.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5302    5.5522   -0.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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  7 10  1  0
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 12 13  1  0
 12 14  1  0
 14 15  1  0
  3 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
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 25 26  1  0
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 27 28  1  0
 28 29  1  0
 27 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 23 36  2  0
 16 37  1  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  1  0
 40 42  2  0
 42 43  1  0
 43 44  1  0
 43 45  2  0
 45  2  1  0
 14  5  1  0
 36 17  1  0
 45 38  1  0
 34 25  1  0
  5 46  1  0
  7 47  1  0
  8 48  1  0
  8 49  1  0
  9 50  1  0
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 18 57  1  0
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 22 59  1  0
 25 60  1  0
 27 61  1  0
 28 62  1  0
 28 63  1  0
 29 64  1  0
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 31 66  1  0
 32 67  1  0
 33 68  1  0
 34 69  1  0
 35 70  1  0
 36 71  1  0
 39 72  1  0
 41 73  1  0
 42 74  1  0
 44 75  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.003   3.850   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.669   6.160   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       9.336   6.930   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       8.002   6.160   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.002   4.620   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      13.337   4.620   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       2.667  -9.240   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       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      12.003   6.930   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       9.336   8.470   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       6.668   6.930   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       8.002  -4.620   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       9.336   3.850   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
CONECT    1    7   10                                                       
CONECT    2    7   12                                                       
CONECT    3    8    9                                                       
CONECT    4    8   11                                                       
CONECT    5   13   28                                                       
CONECT    6   14   29                                                       
CONECT    7    1    2   24                                                  
CONECT    8    3    4   30                                                  
CONECT    9    3   15   31                                                  
CONECT   10    1   16   32                                                  
CONECT   11    4   15   41                                                  
CONECT   12    2   16   42                                                  
CONECT   13    5   17   43                                                  
CONECT   14    6   18   44                                                  
CONECT   15    9   11   19                                                  
CONECT   16   10   12   33                                                  
CONECT   17   13   20   34                                                  
CONECT   18   14   21   35                                                  
CONECT   19   15   25   36                                                  
CONECT   20   17   22   37                                                  
CONECT   21   18   23   38                                                  
CONECT   22   20   26   39                                                  
CONECT   23   21   27   40                                                  
CONECT   24    7   25   41                                                  
CONECT   25   19   24   45                                                  
CONECT   26   22   42   43                                                  
CONECT   27   23   44   45                                                  
CONECT   28    5                                                            
CONECT   29    6                                                            
CONECT   30    8                                                            
CONECT   31    9                                                            
CONECT   32   10                                                            
CONECT   33   16                                                            
CONECT   34   17                                                            
CONECT   35   18                                                            
CONECT   36   19                                                            
CONECT   37   20                                                            
CONECT   38   21                                                            
CONECT   39   22                                                            
CONECT   40   23                                                            
CONECT   41   11   24                                                       
CONECT   42   12   26                                                       
CONECT   43   13   26                                                       
CONECT   44   14   27                                                       
CONECT   45   25   27                                                       
MASTER        0    0    0    0    0    0    0    0   45    0   98    0
END

COMPND    HMDB0037850
HETATM    1  O1  UNL     1      -4.669   2.448  -1.207  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.427   2.436  -1.056  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.630   1.307  -1.238  1.00  0.00           C  
HETATM    4  O2  UNL     1      -3.179   0.117  -1.594  1.00  0.00           O  
HETATM    5  C3  UNL     1      -3.772  -0.803  -0.711  1.00  0.00           C  
HETATM    6  O3  UNL     1      -3.010  -1.930  -0.521  1.00  0.00           O  
HETATM    7  C4  UNL     1      -3.533  -2.792   0.423  1.00  0.00           C  
HETATM    8  C5  UNL     1      -3.409  -2.254   1.832  1.00  0.00           C  
HETATM    9  O4  UNL     1      -2.078  -2.051   2.138  1.00  0.00           O  
HETATM   10  C6  UNL     1      -4.981  -3.146   0.207  1.00  0.00           C  
HETATM   11  O5  UNL     1      -5.506  -3.652   1.396  1.00  0.00           O  
HETATM   12  C7  UNL     1      -5.831  -1.961  -0.192  1.00  0.00           C  
HETATM   13  O6  UNL     1      -7.030  -2.421  -0.726  1.00  0.00           O  
HETATM   14  C8  UNL     1      -5.079  -1.262  -1.307  1.00  0.00           C  
HETATM   15  O7  UNL     1      -5.778  -0.263  -1.915  1.00  0.00           O  
HETATM   16  C9  UNL     1      -1.296   1.466  -1.038  1.00  0.00           C  
HETATM   17  C10 UNL     1      -0.262   0.435  -1.178  1.00  0.00           C  
HETATM   18  C11 UNL     1      -0.448  -0.747  -1.841  1.00  0.00           C  
HETATM   19  C12 UNL     1       0.531  -1.749  -1.930  1.00  0.00           C  
HETATM   20  O8  UNL     1       0.240  -2.894  -2.618  1.00  0.00           O  
HETATM   21  C13 UNL     1       1.761  -1.545  -1.318  1.00  0.00           C  
HETATM   22  O9  UNL     1       2.703  -2.542  -1.420  1.00  0.00           O  
HETATM   23  C14 UNL     1       1.987  -0.373  -0.644  1.00  0.00           C  
HETATM   24  O10 UNL     1       3.154  -0.106  -0.027  1.00  0.00           O  
HETATM   25  C15 UNL     1       4.351  -0.717   0.168  1.00  0.00           C  
HETATM   26  O11 UNL     1       4.515  -0.945   1.539  1.00  0.00           O  
HETATM   27  C16 UNL     1       5.750  -0.635   2.034  1.00  0.00           C  
HETATM   28  C17 UNL     1       5.859  -1.307   3.407  1.00  0.00           C  
HETATM   29  O12 UNL     1       7.113  -1.002   3.929  1.00  0.00           O  
HETATM   30  C18 UNL     1       6.800  -1.274   1.123  1.00  0.00           C  
HETATM   31  O13 UNL     1       6.368  -2.528   0.771  1.00  0.00           O  
HETATM   32  C19 UNL     1       6.815  -0.390  -0.123  1.00  0.00           C  
HETATM   33  O14 UNL     1       7.243  -1.095  -1.226  1.00  0.00           O  
HETATM   34  C20 UNL     1       5.445   0.202  -0.363  1.00  0.00           C  
HETATM   35  O15 UNL     1       5.287   1.475   0.154  1.00  0.00           O  
HETATM   36  C21 UNL     1       0.978   0.596  -0.583  1.00  0.00           C  
HETATM   37  O16 UNL     1      -0.797   2.655  -0.678  1.00  0.00           O  
HETATM   38  C22 UNL     1      -1.494   3.736  -0.493  1.00  0.00           C  
HETATM   39  C23 UNL     1      -0.909   4.927  -0.122  1.00  0.00           C  
HETATM   40  C24 UNL     1      -1.663   6.052   0.067  1.00  0.00           C  
HETATM   41  O17 UNL     1      -1.073   7.272   0.445  1.00  0.00           O  
HETATM   42  C25 UNL     1      -3.029   5.978  -0.121  1.00  0.00           C  
HETATM   43  C26 UNL     1      -3.617   4.778  -0.495  1.00  0.00           C  
HETATM   44  O18 UNL     1      -4.980   4.736  -0.674  1.00  0.00           O  
HETATM   45  C27 UNL     1      -2.862   3.639  -0.687  1.00  0.00           C  
HETATM   46  H1  UNL     1      -3.986  -0.353   0.285  1.00  0.00           H  
HETATM   47  H2  UNL     1      -2.953  -3.737   0.382  1.00  0.00           H  
HETATM   48  H3  UNL     1      -4.061  -1.397   2.035  1.00  0.00           H  
HETATM   49  H4  UNL     1      -3.775  -3.080   2.509  1.00  0.00           H  
HETATM   50  H5  UNL     1      -1.952  -1.272   2.749  1.00  0.00           H  
HETATM   51  H6  UNL     1      -5.099  -3.913  -0.566  1.00  0.00           H  
HETATM   52  H7  UNL     1      -6.124  -3.014   1.838  1.00  0.00           H  
HETATM   53  H8  UNL     1      -5.976  -1.305   0.668  1.00  0.00           H  
HETATM   54  H9  UNL     1      -7.441  -1.645  -1.205  1.00  0.00           H  
HETATM   55  H10 UNL     1      -4.798  -2.059  -2.055  1.00  0.00           H  
HETATM   56  H11 UNL     1      -6.212  -0.596  -2.743  1.00  0.00           H  
HETATM   57  H12 UNL     1      -1.370  -0.943  -2.355  1.00  0.00           H  
HETATM   58  H13 UNL     1       0.834  -3.659  -2.749  1.00  0.00           H  
HETATM   59  H14 UNL     1       2.582  -3.401  -1.895  1.00  0.00           H  
HETATM   60  H15 UNL     1       4.408  -1.705  -0.299  1.00  0.00           H  
HETATM   61  H16 UNL     1       5.985   0.430   2.118  1.00  0.00           H  
HETATM   62  H17 UNL     1       5.054  -0.948   4.079  1.00  0.00           H  
HETATM   63  H18 UNL     1       5.717  -2.396   3.303  1.00  0.00           H  
HETATM   64  H19 UNL     1       7.377  -0.115   3.559  1.00  0.00           H  
HETATM   65  H20 UNL     1       7.790  -1.305   1.603  1.00  0.00           H  
HETATM   66  H21 UNL     1       6.860  -3.273   1.182  1.00  0.00           H  
HETATM   67  H22 UNL     1       7.507   0.452   0.080  1.00  0.00           H  
HETATM   68  H23 UNL     1       6.648  -1.887  -1.359  1.00  0.00           H  
HETATM   69  H24 UNL     1       5.301   0.268  -1.461  1.00  0.00           H  
HETATM   70  H25 UNL     1       5.675   2.168  -0.463  1.00  0.00           H  
HETATM   71  H26 UNL     1       1.176   1.512  -0.047  1.00  0.00           H  
HETATM   72  H27 UNL     1       0.153   4.956   0.017  1.00  0.00           H  
HETATM   73  H28 UNL     1      -0.760   7.915  -0.289  1.00  0.00           H  
HETATM   74  H29 UNL     1      -3.590   6.878   0.035  1.00  0.00           H  
HETATM   75  H30 UNL     1      -5.530   5.552  -0.538  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   45
CONECT    3    4   16   16
CONECT    4    5
CONECT    5    6   14   46
CONECT    6    7
CONECT    7    8   10   47
CONECT    8    9   48   49
CONECT    9   50
CONECT   10   11   12   51
CONECT   11   52
CONECT   12   13   14   53
CONECT   13   54
CONECT   14   15   55
CONECT   15   56
CONECT   16   17   37
CONECT   17   18   18   36
CONECT   18   19   57
CONECT   19   20   21   21
CONECT   20   58
CONECT   21   22   23
CONECT   22   59
CONECT   23   24   36   36
CONECT   24   25
CONECT   25   26   34   60
CONECT   26   27
CONECT   27   28   30   61
CONECT   28   29   62   63
CONECT   29   64
CONECT   30   31   32   65
CONECT   31   66
CONECT   32   33   34   67
CONECT   33   68
CONECT   34   35   69
CONECT   35   70
CONECT   36   71
CONECT   37   38
CONECT   38   39   39   45
CONECT   39   40   72
CONECT   40   41   42   42
CONECT   41   73
CONECT   42   43   74
CONECT   43   44   45   45
CONECT   44   75
END

HMDB0037850
     RDKit          3D
Myricetin 3,3'-digalactoside
 75 79  0  0  0  0  0  0  0  0999 V2000
   -4.6687    2.4485   -1.2072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4273    2.4357   -1.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6299    1.3068   -1.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1794    0.1172   -1.5942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7724   -0.8028   -0.7109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0105   -1.9305   -0.5209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5331   -2.7924    0.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4094   -2.2544    1.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0776   -2.0507    2.1377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9805   -3.1461    0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5057   -3.6516    1.3957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8309   -1.9605   -0.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0298   -2.4213   -0.7260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0785   -1.2615   -1.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7777   -0.2626   -1.9148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2964    1.4664   -1.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2618    0.4351   -1.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4481   -0.7473   -1.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5309   -1.7491   -1.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2401   -2.8943   -2.6176 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -1.5445   -1.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7028   -2.5415   -1.4195 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9869   -0.3728   -0.6443 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1545   -0.1061   -0.0275 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3507   -0.7175    0.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5151   -0.9448    1.5390 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7503   -0.6348    2.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8589   -1.3070    3.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1134   -1.0020    3.9291 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8001   -1.2739    1.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3678   -2.5282    0.7705 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8154   -0.3899   -0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2431   -1.0948   -1.2256 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4447    0.2024   -0.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2874    1.4753    0.1544 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9777    0.5964   -0.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969    2.6551   -0.6781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4936    3.7359   -0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9093    4.9268   -0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    6.0519    0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0730    7.2716    0.4453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0293    5.9780   -0.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6167    4.7778   -0.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9803    4.7364   -0.6741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8615    3.6391   -0.6867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9863   -0.3529    0.2847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9532   -3.7375    0.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0614   -1.3973    2.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7751   -3.0801    2.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9519   -1.2723    2.7489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0991   -3.9133   -0.5661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1238   -3.0139    1.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9760   -1.3050    0.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4410   -1.6446   -1.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7980   -2.0586   -2.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2122   -0.5961   -2.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3701   -0.9428   -2.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8341   -3.6593   -2.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5818   -3.4014   -1.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4075   -1.7050   -0.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9850    0.4299    2.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0535   -0.9480    4.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7174   -2.3962    3.3026 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3774   -0.1149    3.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7905   -1.3051    1.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8601   -3.2727    1.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5070    0.4518    0.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6484   -1.8868   -1.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3012    0.2678   -1.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6751    2.1678   -0.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1764    1.5117   -0.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1529    4.9557    0.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7596    7.9149   -0.2892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5899    6.8780    0.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5302    5.5522   -0.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  3 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 27 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 23 36  2  0
 16 37  1  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  1  0
 40 42  2  0
 42 43  1  0
 43 44  1  0
 43 45  2  0
 45  2  1  0
 14  5  1  0
 36 17  1  0
 45 38  1  0
 34 25  1  0
  5 46  1  0
  7 47  1  0
  8 48  1  0
  8 49  1  0
  9 50  1  0
 10 51  1  0
 11 52  1  0
 12 53  1  0
 13 54  1  0
 14 55  1  0
 15 56  1  0
 18 57  1  0
 20 58  1  0
 22 59  1  0
 25 60  1  0
 27 61  1  0
 28 62  1  0
 28 63  1  0
 29 64  1  0
 30 65  1  0
 31 66  1  0
 32 67  1  0
 33 68  1  0
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 36 71  1  0
 39 72  1  0
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 42 74  1  0
 44 75  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₇H₃₀O₁₈

Average Molecular Weight

642.5163

Monoisotopic Molecular Weight

642.143214156

IUPAC Name

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

Traditional Name

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

CAS Registry Number

28454-81-1

SMILES

OCC1OC(OC2=CC(=CC(O)=C2O)C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C27H30O18/c28-5-13-17(34)20(37)22(39)26(43-13)42-12-2-7(1-10(32)16(12)33)24-25(19(36)15-9(31)3-8(30)4-11(15)41-24)45-27-23(40)21(38)18(35)14(6-29)44-27/h1-4,13-14,17-18,20-23,26-35,37-40H,5-6H2

InChI Key

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0037850)
Cytoplasm (HMDB: HMDB0037850)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037850)

Source

Exogenous

Food

Food (HMDB: HMDB0037850)

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Endogenous

Plant

Plant (HMDB: HMDB0037850)

Not Available

Nutrient (HMDB: HMDB0037850)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	6.93 g/L	ALOGPS
logP	-0.78	ALOGPS
logP	-2.7	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	6.44	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	18	ChemAxon
Hydrogen Donor Count	12	ChemAxon
Polar Surface Area	305.98 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	143.4 m³·mol⁻¹	ChemAxon
Polarizability	59.76 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]+	239.829	30932474
DeepCCS	[M-H]-	237.942	30932474
DeepCCS	[M-2H]-	271.181	30932474
DeepCCS	[M+Na]+	245.553	30932474
AllCCS	[M+H]+	234.7	32859911
AllCCS	[M+H-H2O]+	233.7	32859911
AllCCS	[M+NH4]+	235.7	32859911
AllCCS	[M+Na]+	235.9	32859911
AllCCS	[M-H]-	232.8	32859911
AllCCS	[M+Na-2H]-	235.1	32859911
AllCCS	[M+HCOO]-	237.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Myricetin 3,3'-digalactoside	OCC1OC(OC2=CC(=CC(O)=C2O)C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O	5759.7	Standard polar	33892256
Myricetin 3,3'-digalactoside	OCC1OC(OC2=CC(=CC(O)=C2O)C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O	5517.5	Standard non polar	33892256
Myricetin 3,3'-digalactoside	OCC1OC(OC2=CC(=CC(O)=C2O)C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O	5975.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Myricetin 3,3'-digalactoside,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	5850.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TMS,isomer #10	C[Si](C)(C)OC1C(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)OC(CO)C(O)C1O	5899.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TMS,isomer #11	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C1O	5886.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TMS,isomer #12	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C1O	5893.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TMS,isomer #2	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O	5924.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TMS,isomer #3	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O)C1O	5833.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5854.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TMS,isomer #5	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O	5892.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TMS,isomer #6	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C1O	5886.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TMS,isomer #7	C[Si](C)(C)OC1C(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	5905.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TMS,isomer #8	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C1)O2	5913.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC2=C1	5945.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	5751.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O[Si](C)(C)C)C1O	5726.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O[Si](C)(C)C	5736.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #12	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(OC4OC(CO)C(O)C(O)C4O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5803.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #13	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O	5781.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(OC4OC(CO)C(O)C(O)C4O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5743.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #15	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O	5769.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #16	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O	5751.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #17	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O	5779.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #18	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C1O	5769.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #19	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C1O	5751.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	5736.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #20	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C1O	5782.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #21	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O[Si](C)(C)C	5710.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(O)=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC2=C1	5743.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #23	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O)C1O	5729.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5682.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #25	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O)C1O	5710.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #26	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O)C1O	5690.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #27	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O)C1O	5717.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #28	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5709.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #29	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5689.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	5730.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #30	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5717.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5731.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5727.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5751.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5753.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5737.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5748.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5726.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5739.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #39	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C1O	5761.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	5729.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #40	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O	5749.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #41	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O	5772.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #42	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC2=C1	5791.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #43	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C1)O2	5769.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #44	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O	5760.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #45	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C	5761.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #46	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C1O	5748.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #47	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C1O	5734.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #48	C[Si](C)(C)OC1C(OC2=CC(C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)OC(CO)C(O)C1O	5761.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #49	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC2=C1	5769.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	5723.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #50	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C1)O2	5749.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #51	C[Si](C)(C)OC1C(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C	5787.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #52	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C1O	5770.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #53	C[Si](C)(C)OC1C(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	5760.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #54	C[Si](C)(C)OC1C(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)OC(CO)C(O)C1O	5785.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #55	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC2=C1	5799.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #56	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C1)O2	5775.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #57	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC2=C1	5759.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #58	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C1)O2	5769.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #59	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C1)O2	5749.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	5747.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #60	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C1)O2	5776.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #61	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)OC2=C1	5791.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #62	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)OC2=C1	5769.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #63	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)OC2=C1	5801.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #64	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O[Si](C)(C)C)C1O	5761.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #65	C[Si](C)(C)OC1C(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)OC(CO)C(O)C1O[Si](C)(C)C	5788.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #66	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C1O[Si](C)(C)C	5761.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O[Si](C)(C)C)=C2O)C(O)C(O)C1O	5741.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O[Si](C)(C)C)C(O)C(O)C1O	5679.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O[Si](C)(C)C)C(O)C1O	5748.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	5600.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O[Si](C)(C)C	5642.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #100	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C1O[Si](C)(C)C	5603.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #101	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(O)=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC2=C1	5566.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #102	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5579.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #103	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC(O)=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC2=C1	5611.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #104	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC(O)=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC2=C1	5569.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #105	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC(O)=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC2=C1	5619.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #106	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(O)=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)OC2=C1	5611.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #107	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(O)=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)OC2=C1	5569.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #108	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(O)=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)OC2=C1	5627.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #109	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5539.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	5583.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #110	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O)C1O	5576.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #111	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O)C1O	5534.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #112	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O)C1O	5583.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #113	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5575.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #114	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5535.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #115	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5590.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #116	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5556.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #117	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5520.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #118	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5575.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #119	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5582.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	5603.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #120	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5537.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #121	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5570.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #122	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O)C1O	5563.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #123	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O)C1O	5581.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #124	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5584.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #125	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5549.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #126	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5596.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #127	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O)C1O	5593.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #128	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5547.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #129	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5512.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	5566.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #130	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5560.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #131	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5588.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #132	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5555.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #133	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5604.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #134	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5566.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #135	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5592.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #136	C[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5603.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #137	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5606.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #138	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5622.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #139	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5639.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	5607.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #140	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5604.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #141	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5634.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #142	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5602.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #143	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5622.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #144	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5639.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #145	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5607.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #146	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5571.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #147	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5619.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #148	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5578.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #149	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5608.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC(O[Si](C)(C)C)=C2O)C(O)C(O)C1O	5582.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #150	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5655.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #151	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5619.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #152	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5653.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #153	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5620.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #154	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5640.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #155	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5602.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #156	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5657.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #157	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5617.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #158	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5646.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #159	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5622.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC(O)=C2O[Si](C)(C)C)C(O)C(O)C1O	5539.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #160	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5585.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #161	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5613.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #162	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5638.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #163	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5655.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #164	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5615.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #165	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)OC2=C1	5664.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #166	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C1)O2	5634.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #167	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C1O	5618.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #168	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C1O	5627.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #169	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O	5635.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC(O)=C2O)C(O[Si](C)(C)C)C(O)C1O	5628.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #170	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O	5620.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #171	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O	5653.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #172	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)OC2=C1	5630.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #173	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C1)O2	5596.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #174	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O	5608.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #175	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C1O	5595.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #176	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)OC2=C1	5677.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #177	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C1)O2	5644.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #178	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O	5639.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #179	C[Si](C)(C)OC1C(OC2=CC(C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)OC(CO)C(O)C1O	5632.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O[Si](C)(C)C)C1O	5584.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #180	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC2=C1	5629.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #181	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC2=C1	5648.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #182	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC2=C1	5658.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #183	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C1)O2	5614.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #184	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C1)O2	5627.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #185	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5659.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #186	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)OC2=C1	5628.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #187	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C1)O2	5595.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #188	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C1O	5643.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #189	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O[Si](C)(C)C)C1O	5612.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O[Si](C)(C)C	5609.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #190	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C1O	5595.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #191	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)OC2=C1	5591.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #192	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C1)O2	5557.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #193	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C1O	5623.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #194	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C1O	5629.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #195	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)OC2=C1	5641.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #196	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C1)O2	5604.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #197	C[Si](C)(C)OC1C(OC2=CC(C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)OC(CO)C(O)C1O	5657.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #198	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC2=C1	5590.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #199	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC2=C1	5672.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	5616.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	5616.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #200	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C1)O2	5638.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #201	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)OC2=C1	5668.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #202	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C1)O2	5635.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #203	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O[Si](C)(C)C)C1O	5639.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #204	C[Si](C)(C)OC1C(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	5627.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #205	C[Si](C)(C)OC1C(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	5660.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #206	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)OC2=C1	5637.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #207	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C1)O2	5601.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #208	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)OC2=C1	5682.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #209	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C1)O2	5647.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	5591.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #210	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC2=C1	5636.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #211	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3)OC2=C1	5628.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #212	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3)OC2=C1	5591.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #213	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3)OC2=C1	5641.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #214	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C1)O2	5615.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #215	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C1)O2	5636.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #216	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C1)O2	5647.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #217	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3)OC2=C1	5649.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #218	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3)OC2=C1	5667.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #219	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)OC2=C1	5682.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	5626.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #220	C[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5667.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O[Si](C)(C)C)=C2O)C(O)C(O)C1O	5585.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O[Si](C)(C)C)C(O)C(O)C1O	5544.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5637.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5597.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5615.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	5601.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	5608.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	5638.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O[Si](C)(C)C)=C2O)C(O)C(O)C1O	5594.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O[Si](C)(C)C)C(O)C(O)C1O	5555.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O[Si](C)(C)C)C(O)C1O	5640.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O[Si](C)(C)C)C1O	5605.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O[Si](C)(C)C	5619.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	5627.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O[Si](C)(C)C)=C2O)C(O)C(O)C1O	5558.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O[Si](C)(C)C)C(O)C(O)C1O	5516.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O[Si](C)(C)C)C(O)C1O	5619.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #39	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O[Si](C)(C)C)C1O	5576.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	5604.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O[Si](C)(C)C	5601.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O[Si](C)(C)C)=C2O)C(O)C(O)C1O	5603.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O[Si](C)(C)C)C(O)C(O)C1O	5562.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #43	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O[Si](C)(C)C)C(O)C1O	5650.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #44	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O[Si](C)(C)C)C1O	5613.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #45	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O[Si](C)(C)C	5628.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #46	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O)C(O)C1O	5553.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #47	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O[Si](C)(C)C)=C2O)C(O[Si](C)(C)C)C(O)C1O	5625.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #48	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O[Si](C)(C)C)=C2O)C(O)C(O[Si](C)(C)C)C1O	5575.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #49	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O[Si](C)(C)C)=C2O)C(O)C(O)C1O[Si](C)(C)C	5602.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	5644.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #50	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5588.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #51	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5538.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #52	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5565.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #53	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5647.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #54	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5665.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #55	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5617.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #56	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(OC4OC(CO)C(O)C(O)C4O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5617.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #57	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(OC4OC(CO)C(O)C(O)C4O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5617.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #58	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC(OC4OC(CO)C(O)C(O)C4O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5646.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #59	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC(OC4OC(CO)C(O)C(O)C4O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5605.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC(O[Si](C)(C)C)=C2O)C(O)C(O)C1O	5616.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #60	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC(OC4OC(CO)C(O)C(O)C4O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5655.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #61	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5646.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #62	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5605.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #63	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5661.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #64	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(OC4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	5619.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #65	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(OC4OC(CO)C(O)C(O)C4O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5583.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #66	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O	5615.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #67	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O	5574.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #68	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O	5622.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #69	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C1O	5614.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC(O)=C2O[Si](C)(C)C)C(O)C(O)C1O	5577.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #70	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C1O	5574.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #71	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C1O	5627.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #72	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O[Si](C)(C)C	5583.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #73	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5595.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #74	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5563.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #75	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5614.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #76	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(OC4OC(CO)C(O)C(O)C4O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5554.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #77	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(OC4OC(CO)C(O)C(O)C4O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5618.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #78	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(OC4OC(CO)C(O)C(O)C4O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5575.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #79	C[Si](C)(C)OCC1OC(OC2=C(C3=CC(OC4OC(CO)C(O)C(O)C4O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5605.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC(O)=C2O)C(O[Si](C)(C)C)C(O)C1O	5662.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #80	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O	5599.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #81	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O	5617.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #82	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C1O	5620.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #83	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C1O	5586.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #84	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C1O	5632.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #85	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O[Si](C)(C)C	5590.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #86	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O	5629.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #87	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C1O	5585.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #88	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C1O	5550.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #89	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C1O	5598.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)=CC(O)=C2O)C(O)C(O[Si](C)(C)C)C1O	5617.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #90	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O[Si](C)(C)C	5554.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #91	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C1O	5625.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #92	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C1O	5594.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #93	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C1O	5641.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #94	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O[Si](C)(C)C	5595.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #95	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1O	5600.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #96	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1O	5626.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #97	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C1O[Si](C)(C)C	5590.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #98	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1O	5638.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,3TMS,isomer #99	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C1O[Si](C)(C)C	5557.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	6048.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)OC(CO)C(O)C1O	6122.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C1O	6110.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C1O	6119.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O	6093.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O)C1O	6063.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	6051.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O	6119.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C1O	6110.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	6121.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C1)O2	6085.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC2=C1	6117.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	6087.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	6068.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	6058.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(OC4OC(CO)C(O)C(O)C4O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	6119.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O	6094.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC(OC4OC(CO)C(O)C(O)C4O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	6065.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O	6096.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O	6072.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O	6098.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1O	6095.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1O	6073.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	6063.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1O	6102.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC2OC(CO)C(O)C(O)C2O)=C1O[Si](C)(C)C(C)(C)C	6062.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC2=C1	6093.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O)C1O	6072.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	6040.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O)C1O	6072.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O)C1O	6050.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O)C1O	6075.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	6072.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	6051.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	6054.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	6078.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	6066.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	6051.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	6080.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	6088.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	6063.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	6078.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	6066.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	6060.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C1O	6104.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	6064.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O	6084.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O	6111.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC2=C1	6121.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C1)O2	6098.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O	6097.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C(C)(C)C	6089.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C1O	6081.1	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C1O	6062.5	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)OC(CO)C(O)C1O	6084.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC2=C1	6098.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	6046.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C1)O2	6075.9	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	6116.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C1O	6106.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	6083.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)OC(CO)C(O)C1O	6115.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC2=C1	6120.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C1)O2	6098.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)OC2=C1	6095.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C1)O2	6098.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #59	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C1)O2	6077.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C(O)C1O	6069.3	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #60	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC(O)=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C1)O2	6103.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3)OC2=C1	6120.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3)OC2=C1	6100.0	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	6125.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #64	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O[Si](C)(C)C(C)(C)C)C1O	6104.4	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	6123.2	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #66	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O)C1O[Si](C)(C)C(C)(C)C	6092.7	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O[Si](C)(C)C(C)(C)C)=C2O)C(O)C(O)C1O	6064.6	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	6039.8	Semi standard non polar	33892256
Myricetin 3,3'-digalactoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(O)C=C4O3)=CC(O)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	6085.2	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0iu0-3500269000-cc4320f5de687f0c0d74	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_1_11) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_1_12) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3,3'-digalactoside GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Myricetin 3,3'-digalactoside 6V, Negative-QTOF	splash10-0006-0002209000-db1f0d05bbfef9e11202	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Myricetin 3,3'-digalactoside 6V, Positive-QTOF	splash10-014i-0009301000-f1450f73ec4860c35352	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Myricetin 3,3'-digalactoside 6V, Positive-QTOF	splash10-0006-0002209000-1a674bbf790a691cf8db	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3,3'-digalactoside 10V, Positive-QTOF	splash10-03gi-0002904000-2a4b42787eccb17fa30c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3,3'-digalactoside 20V, Positive-QTOF	splash10-02t9-0109700000-b3f020b1b7e5037ea54b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3,3'-digalactoside 40V, Positive-QTOF	splash10-014i-0309300000-78c95bacf656c37b05e2	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3,3'-digalactoside 10V, Negative-QTOF	splash10-004l-1303629000-a61fa37c725faf9bae03	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3,3'-digalactoside 20V, Negative-QTOF	splash10-01t9-0213902000-ca2663476128e765957a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3,3'-digalactoside 40V, Negative-QTOF	splash10-0690-3419200000-1808dee32cbf1ad00127	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3,3'-digalactoside 10V, Negative-QTOF	splash10-0006-0000009000-a194280ddd1a5ed6373d	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3,3'-digalactoside 20V, Negative-QTOF	splash10-002f-0000509000-15cda08b2d2ee746151e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3,3'-digalactoside 40V, Negative-QTOF	splash10-004i-0000900000-65da13182fdcd6d27d39	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3,3'-digalactoside 10V, Positive-QTOF	splash10-001i-0000902000-3aa932c6487de02261f2	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3,3'-digalactoside 20V, Positive-QTOF	splash10-001o-0000909000-f57f699fca9828c05dea	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3,3'-digalactoside 40V, Positive-QTOF	splash10-001i-0000900000-f29eaf16910257a8e47e	2021-09-23	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

FDB017003

KNApSAcK ID

C00005743

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14159396

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 Myricetin 3,3'-digalactoside (HMDB0037850)

MOL for HMDB0037850 (Myricetin 3,3'-digalactoside)

3D MOL for HMDB0037850 (Myricetin 3,3'-digalactoside)

3D SDF for HMDB0037850 (Myricetin 3,3'-digalactoside)

3D-SDF for HMDB0037850 (Myricetin 3,3'-digalactoside)

PDB for HMDB0037850 (Myricetin 3,3'-digalactoside)

3D PDB for HMDB0037850 (Myricetin 3,3'-digalactoside)

SMILES for HMDB0037850 (Myricetin 3,3'-digalactoside)

INCHI for HMDB0037850 (Myricetin 3,3'-digalactoside)

Structure for HMDB0037850 (Myricetin 3,3'-digalactoside)

3D Structure for HMDB0037850 (Myricetin 3,3'-digalactoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra