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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 01:26:36 UTC

Update Date

2022-03-07 02:56:23 UTC

HMDB ID

HMDB0039901

Secondary Accession Numbers

HMDB39901

Metabolite Identification

Common Name

3-Methylquercetin 7-[galactosyl-(1->4)-glucoside]

Description

3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] belongs to the class of organic compounds known as flavonoid-7-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position. Based on a literature review very few articles have been published on 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside].

Structure

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

  Mrv0541 05061311282D          

 45 49  0  0  0  0            999 V2000
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 45 25  1  0  0  0  0
 45 28  1  0  0  0  0
M  END

HMDB0039901
     RDKit          3D
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside]
 77 81  0  0  0  0  0  0  0  0999 V2000
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M  END

  Mrv0541 05061311282D          

 45 49  0  0  0  0            999 V2000
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   -5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    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
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    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
   -2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  9  2  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 12 11  2  0  0  0  0
 13  5  1  0  0  0  0
 14  6  2  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17 13  2  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24  9  1  0  0  0  0
 25 16  1  0  0  0  0
 25 21  1  0  0  0  0
 26 19  1  0  0  0  0
 26 24  2  0  0  0  0
 27 23  1  0  0  0  0
 28 22  1  0  0  0  0
 29  7  1  0  0  0  0
 30  8  1  0  0  0  0
 31 11  1  0  0  0  0
 32 12  1  0  0  0  0
 33 13  1  0  0  0  0
 34 18  1  0  0  0  0
 35 19  2  0  0  0  0
 36 20  1  0  0  0  0
 37 21  1  0  0  0  0
 38 22  1  0  0  0  0
 39 23  1  0  0  0  0
 40  1  1  0  0  0  0
 40 26  1  0  0  0  0
 41 10  1  0  0  0  0
 41 27  1  0  0  0  0
 42 14  1  0  0  0  0
 42 24  1  0  0  0  0
 43 15  1  0  0  0  0
 43 28  1  0  0  0  0
 44 16  1  0  0  0  0
 44 27  1  0  0  0  0
 45 25  1  0  0  0  0
 45 28  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039901

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C28H32O17/c1-40-26-19(35)17-13(33)5-10(6-14(17)42-24(26)9-2-3-11(31)12(32)4-9)41-27-23(39)21(37)25(16(8-30)44-27)45-28-22(38)20(36)18(34)15(7-29)43-28/h2-6,15-16,18,20-23,25,27-34,36-39H,7-8H2,1H3

> <INCHI_KEY>
ZEFAZHUPULGHQG-UHFFFAOYSA-N

> <FORMULA>
C28H32O17

> <MOLECULAR_WEIGHT>
640.5435

> <EXACT_MASS>
640.163949598

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
61.897776201119214

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-0.46

> <JCHEM_LOGP>
-1.7697768856666665

> <ALOGPS_LOGS>
-2.27

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.751335973974975

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.11206745495716

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6483775752014047

> <JCHEM_POLAR_SURFACE_AREA>
274.75

> <JCHEM_REFRACTIVITY>
146.1711

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.40e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0039901
     RDKit          3D
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside]
 77 81  0  0  0  0  0  0  0  0999 V2000
    7.8223   -0.6824    3.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3729    0.4751    2.6088 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2775    0.4115    1.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4416    0.1671    0.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6980   -0.0390   -0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9406    0.1803    0.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0989   -0.1036   -0.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9932   -0.6120   -1.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1379   -0.8837   -2.4930 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7454   -0.8461   -2.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6723   -1.3622   -3.5829 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6388   -0.5619   -1.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033    0.1204   -0.2806 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9854    0.2267   -0.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7100    0.4018   -0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6921    0.3100   -1.0109 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4008   -0.6792   -1.0889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5470   -0.5310   -1.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3037   -1.8690   -1.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5435   -2.9157   -2.1691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4613    0.5749   -1.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0382    0.2431   -0.1576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3933    0.1425   -0.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9110   -1.1084    0.1613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2155   -1.2133   -0.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0286   -1.9829    0.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4226   -3.2503    0.8950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8832    0.0445   -0.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2762   -0.1402   -0.5427 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5282    1.2502    0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4569    1.4665    1.1675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1027    1.1413    0.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2310    0.6033    1.9897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6782    1.8604   -1.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8273    2.4762   -0.0555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2447    1.6003   -1.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0791    1.4452   -2.9895 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4990    0.6515    1.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6252    0.7233    2.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3714    0.9740    3.3866 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8985    0.5461    1.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0188    0.6066    2.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9566    0.8294    3.5883 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9357   -0.6102    3.3663 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4384   -0.6312    4.3317 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5692   -1.5993    2.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0647    0.6085    1.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0839    0.0797   -0.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0531   -0.7186   -2.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7476   -1.5366   -3.9786 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6806   -0.7566   -1.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1659    0.0275   -1.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9449    0.7209    0.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3356   -0.4827   -2.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2891   -1.8245   -2.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4256   -1.9830   -0.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8256   -3.1755   -1.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2042    0.7110   -2.1791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7429    0.3635   -1.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2150   -1.8979   -1.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0570   -2.1314    0.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0472   -1.4485    1.7494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8864   -3.6930    1.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7100    0.2482   -1.7481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6693   -0.4410   -1.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6013    2.1430   -0.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4136    2.4509    1.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6760    2.1456    0.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5919    1.1047    2.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0373    2.6208   -2.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9135    1.8449    0.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6714    2.5411   -1.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7336    2.0303   -3.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5113    0.7937    1.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9725    1.0630    4.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  4 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
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 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
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 27 30  1  0
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 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 23 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 16 40  2  0
 40 41  1  0
 41 42  1  0
 41 43  2  0
 43 44  1  0
 44 45  2  0
 44  3  1  0
 12  5  1  0
 43 14  1  0
 38 18  1  0
 34 25  1  0
  1 46  1  0
  1 47  1  0
  1 48  1  0
  6 49  1  0
  7 50  1  0
  9 51  1  0
 11 52  1  0
 12 53  1  0
 15 54  1  0
 18 55  1  0
 20 56  1  0
 21 57  1  0
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 22 59  1  0
 23 60  1  0
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 27 62  1  0
 28 63  1  0
 28 64  1  0
 29 65  1  0
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 31 67  1  0
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 35 71  1  0
 36 72  1  0
 37 73  1  0
 38 74  1  0
 39 75  1  0
 40 76  1  0
 42 77  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  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -10.669   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -8.002   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.002   1.540   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       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -10.669   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0     -10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -4.001  -2.310   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      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0     -12.003   2.310   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -8.002   1.540   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0     -13.337   0.000   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0     -13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0     -10.669  -4.620   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       5.335  -3.080   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       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      -9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0      -5.335   0.000   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0      -8.002  -3.080   0.000  0.00  0.00           O+0
CONECT    1   40                                                            
CONECT    2    3    9                                                       
CONECT    3    2   11                                                       
CONECT    4    9   12                                                       
CONECT    5   10   13                                                       
CONECT    6   10   14                                                       
CONECT    7   15   29                                                       
CONECT    8   16   30                                                       
CONECT    9    2    4   24                                                  
CONECT   10    5    6   41                                                  
CONECT   11    3   12   31                                                  
CONECT   12    4   11   32                                                  
CONECT   13    5   17   33                                                  
CONECT   14    6   17   42                                                  
CONECT   15    7   18   43                                                  
CONECT   16    8   25   44                                                  
CONECT   17   13   14   19                                                  
CONECT   18   15   20   34                                                  
CONECT   19   17   26   35                                                  
CONECT   20   18   22   36                                                  
CONECT   21   23   25   37                                                  
CONECT   22   20   28   38                                                  
CONECT   23   21   27   39                                                  
CONECT   24    9   26   42                                                  
CONECT   25   16   21   45                                                  
CONECT   26   19   24   40                                                  
CONECT   27   23   41   44                                                  
CONECT   28   22   43   45                                                  
CONECT   29    7                                                            
CONECT   30    8                                                            
CONECT   31   11                                                            
CONECT   32   12                                                            
CONECT   33   13                                                            
CONECT   34   18                                                            
CONECT   35   19                                                            
CONECT   36   20                                                            
CONECT   37   21                                                            
CONECT   38   22                                                            
CONECT   39   23                                                            
CONECT   40    1   26                                                       
CONECT   41   10   27                                                       
CONECT   42   14   24                                                       
CONECT   43   15   28                                                       
CONECT   44   16   27                                                       
CONECT   45   25   28                                                       
MASTER        0    0    0    0    0    0    0    0   45    0   98    0
END

COMPND    HMDB0039901
HETATM    1  C1  UNL     1       7.822  -0.682   3.312  1.00  0.00           C  
HETATM    2  O1  UNL     1       7.373   0.475   2.609  1.00  0.00           O  
HETATM    3  C2  UNL     1       6.278   0.412   1.753  1.00  0.00           C  
HETATM    4  C3  UNL     1       6.442   0.167   0.425  1.00  0.00           C  
HETATM    5  C4  UNL     1       7.698  -0.039  -0.255  1.00  0.00           C  
HETATM    6  C5  UNL     1       8.941   0.180   0.235  1.00  0.00           C  
HETATM    7  C6  UNL     1      10.099  -0.104  -0.516  1.00  0.00           C  
HETATM    8  C7  UNL     1       9.993  -0.612  -1.773  1.00  0.00           C  
HETATM    9  O2  UNL     1      11.138  -0.884  -2.493  1.00  0.00           O  
HETATM   10  C8  UNL     1       8.745  -0.846  -2.304  1.00  0.00           C  
HETATM   11  O3  UNL     1       8.672  -1.362  -3.583  1.00  0.00           O  
HETATM   12  C9  UNL     1       7.639  -0.562  -1.552  1.00  0.00           C  
HETATM   13  O4  UNL     1       5.303   0.120  -0.281  1.00  0.00           O  
HETATM   14  C10 UNL     1       4.117   0.291   0.218  1.00  0.00           C  
HETATM   15  C11 UNL     1       2.985   0.227  -0.587  1.00  0.00           C  
HETATM   16  C12 UNL     1       1.710   0.402  -0.100  1.00  0.00           C  
HETATM   17  O5  UNL     1       0.692   0.310  -1.011  1.00  0.00           O  
HETATM   18  C13 UNL     1      -0.676   0.450  -0.810  1.00  0.00           C  
HETATM   19  O6  UNL     1      -1.401  -0.679  -1.089  1.00  0.00           O  
HETATM   20  C14 UNL     1      -2.547  -0.531  -1.811  1.00  0.00           C  
HETATM   21  C15 UNL     1      -3.304  -1.869  -1.667  1.00  0.00           C  
HETATM   22  O7  UNL     1      -2.543  -2.916  -2.169  1.00  0.00           O  
HETATM   23  C16 UNL     1      -3.461   0.575  -1.364  1.00  0.00           C  
HETATM   24  O8  UNL     1      -4.038   0.243  -0.158  1.00  0.00           O  
HETATM   25  C17 UNL     1      -5.393   0.142  -0.154  1.00  0.00           C  
HETATM   26  O9  UNL     1      -5.911  -1.108   0.161  1.00  0.00           O  
HETATM   27  C18 UNL     1      -7.216  -1.213  -0.246  1.00  0.00           C  
HETATM   28  C19 UNL     1      -8.029  -1.983   0.801  1.00  0.00           C  
HETATM   29  O10 UNL     1      -7.423  -3.250   0.895  1.00  0.00           O  
HETATM   30  C20 UNL     1      -7.883   0.044  -0.657  1.00  0.00           C  
HETATM   31  O11 UNL     1      -9.276  -0.140  -0.543  1.00  0.00           O  
HETATM   32  C21 UNL     1      -7.528   1.250   0.158  1.00  0.00           C  
HETATM   33  O12 UNL     1      -8.457   1.466   1.167  1.00  0.00           O  
HETATM   34  C22 UNL     1      -6.103   1.141   0.721  1.00  0.00           C  
HETATM   35  O13 UNL     1      -6.231   0.603   1.990  1.00  0.00           O  
HETATM   36  C23 UNL     1      -2.678   1.860  -1.303  1.00  0.00           C  
HETATM   37  O14 UNL     1      -2.827   2.476  -0.055  1.00  0.00           O  
HETATM   38  C24 UNL     1      -1.245   1.600  -1.629  1.00  0.00           C  
HETATM   39  O15 UNL     1      -1.079   1.445  -2.990  1.00  0.00           O  
HETATM   40  C25 UNL     1       1.499   0.652   1.224  1.00  0.00           C  
HETATM   41  C26 UNL     1       2.625   0.723   2.071  1.00  0.00           C  
HETATM   42  O16 UNL     1       2.371   0.974   3.387  1.00  0.00           O  
HETATM   43  C27 UNL     1       3.898   0.546   1.571  1.00  0.00           C  
HETATM   44  C28 UNL     1       5.019   0.607   2.356  1.00  0.00           C  
HETATM   45  O17 UNL     1       4.957   0.829   3.588  1.00  0.00           O  
HETATM   46  H1  UNL     1       8.936  -0.610   3.366  1.00  0.00           H  
HETATM   47  H2  UNL     1       7.438  -0.631   4.332  1.00  0.00           H  
HETATM   48  H3  UNL     1       7.569  -1.599   2.757  1.00  0.00           H  
HETATM   49  H4  UNL     1       9.065   0.608   1.211  1.00  0.00           H  
HETATM   50  H5  UNL     1      11.084   0.080  -0.101  1.00  0.00           H  
HETATM   51  H6  UNL     1      12.053  -0.719  -2.120  1.00  0.00           H  
HETATM   52  H7  UNL     1       7.748  -1.537  -3.979  1.00  0.00           H  
HETATM   53  H8  UNL     1       6.681  -0.757  -1.995  1.00  0.00           H  
HETATM   54  H9  UNL     1       3.166   0.028  -1.639  1.00  0.00           H  
HETATM   55  H10 UNL     1      -0.945   0.721   0.256  1.00  0.00           H  
HETATM   56  H11 UNL     1      -2.336  -0.483  -2.907  1.00  0.00           H  
HETATM   57  H12 UNL     1      -4.289  -1.825  -2.117  1.00  0.00           H  
HETATM   58  H13 UNL     1      -3.426  -1.983  -0.561  1.00  0.00           H  
HETATM   59  H14 UNL     1      -1.826  -3.176  -1.550  1.00  0.00           H  
HETATM   60  H15 UNL     1      -4.204   0.711  -2.179  1.00  0.00           H  
HETATM   61  H16 UNL     1      -5.743   0.364  -1.207  1.00  0.00           H  
HETATM   62  H17 UNL     1      -7.215  -1.898  -1.146  1.00  0.00           H  
HETATM   63  H18 UNL     1      -9.057  -2.131   0.385  1.00  0.00           H  
HETATM   64  H19 UNL     1      -8.047  -1.449   1.749  1.00  0.00           H  
HETATM   65  H20 UNL     1      -7.886  -3.693   1.675  1.00  0.00           H  
HETATM   66  H21 UNL     1      -7.710   0.248  -1.748  1.00  0.00           H  
HETATM   67  H22 UNL     1      -9.669  -0.441  -1.403  1.00  0.00           H  
HETATM   68  H23 UNL     1      -7.601   2.143  -0.532  1.00  0.00           H  
HETATM   69  H24 UNL     1      -8.414   2.451   1.379  1.00  0.00           H  
HETATM   70  H25 UNL     1      -5.676   2.146   0.692  1.00  0.00           H  
HETATM   71  H26 UNL     1      -5.592   1.105   2.576  1.00  0.00           H  
HETATM   72  H27 UNL     1      -3.037   2.621  -2.038  1.00  0.00           H  
HETATM   73  H28 UNL     1      -2.914   1.845   0.681  1.00  0.00           H  
HETATM   74  H29 UNL     1      -0.671   2.541  -1.370  1.00  0.00           H  
HETATM   75  H30 UNL     1      -1.734   2.030  -3.444  1.00  0.00           H  
HETATM   76  H31 UNL     1       0.511   0.794   1.640  1.00  0.00           H  
HETATM   77  H32 UNL     1       2.972   1.063   4.127  1.00  0.00           H  
CONECT    1    2   46   47   48
CONECT    2    3
CONECT    3    4    4   44
CONECT    4    5   13
CONECT    5    6    6   12
CONECT    6    7   49
CONECT    7    8    8   50
CONECT    8    9   10
CONECT    9   51
CONECT   10   11   12   12
CONECT   11   52
CONECT   12   53
CONECT   13   14
CONECT   14   15   15   43
CONECT   15   16   54
CONECT   16   17   40   40
CONECT   17   18
CONECT   18   19   38   55
CONECT   19   20
CONECT   20   21   23   56
CONECT   21   22   57   58
CONECT   22   59
CONECT   23   24   36   60
CONECT   24   25
CONECT   25   26   34   61
CONECT   26   27
CONECT   27   28   30   62
CONECT   28   29   63   64
CONECT   29   65
CONECT   30   31   32   66
CONECT   31   67
CONECT   32   33   34   68
CONECT   33   69
CONECT   34   35   70
CONECT   35   71
CONECT   36   37   38   72
CONECT   37   73
CONECT   38   39   74
CONECT   39   75
CONECT   40   41   76
CONECT   41   42   43   43
CONECT   42   77
CONECT   43   44
CONECT   44   45   45
END

HMDB0039901
     RDKit          3D
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside]
 77 81  0  0  0  0  0  0  0  0999 V2000
    7.8223   -0.6824    3.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3729    0.4751    2.6088 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2775    0.4115    1.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4416    0.1671    0.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6980   -0.0390   -0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9406    0.1803    0.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0989   -0.1036   -0.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9932   -0.6120   -1.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1379   -0.8837   -2.4930 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7454   -0.8461   -2.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6723   -1.3622   -3.5829 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6388   -0.5619   -1.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033    0.1204   -0.2806 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1175    0.2909    0.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9854    0.2267   -0.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7100    0.4018   -0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6921    0.3100   -1.0109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6756    0.4502   -0.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4008   -0.6792   -1.0889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5470   -0.5310   -1.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3037   -1.8690   -1.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5435   -2.9157   -2.1691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4613    0.5749   -1.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0382    0.2431   -0.1576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3933    0.1425   -0.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9110   -1.1084    0.1613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2155   -1.2133   -0.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0286   -1.9829    0.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4226   -3.2503    0.8950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8832    0.0445   -0.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2762   -0.1402   -0.5427 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5282    1.2502    0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4569    1.4665    1.1675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1027    1.1413    0.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2310    0.6033    1.9897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6782    1.8604   -1.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8273    2.4762   -0.0555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2447    1.6003   -1.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0791    1.4452   -2.9895 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4990    0.6515    1.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6252    0.7233    2.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3714    0.9740    3.3866 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8985    0.5461    1.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0188    0.6066    2.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9566    0.8294    3.5883 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9357   -0.6102    3.3663 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4384   -0.6312    4.3317 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5692   -1.5993    2.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0647    0.6085    1.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0839    0.0797   -0.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0531   -0.7186   -2.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7476   -1.5366   -3.9786 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6806   -0.7566   -1.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1659    0.0275   -1.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9449    0.7209    0.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3356   -0.4827   -2.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2891   -1.8245   -2.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4256   -1.9830   -0.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8256   -3.1755   -1.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2042    0.7110   -2.1791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7429    0.3635   -1.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2150   -1.8979   -1.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0570   -2.1314    0.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0472   -1.4485    1.7494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8864   -3.6930    1.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7100    0.2482   -1.7481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6693   -0.4410   -1.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6013    2.1430   -0.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4136    2.4509    1.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6760    2.1456    0.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5919    1.1047    2.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0373    2.6208   -2.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9135    1.8449    0.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6714    2.5411   -1.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7336    2.0303   -3.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5113    0.7937    1.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9725    1.0630    4.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  4 13  1  0
 13 14  1  0
 14 15  2  0
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M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₈H₃₂O₁₇

Average Molecular Weight

640.5435

Monoisotopic Molecular Weight

640.163949598

IUPAC Name

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

Traditional Name

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

CAS Registry Number

Not Available

SMILES

COC1=C(OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C=C1

InChI Identifier

InChI=1S/C28H32O17/c1-40-26-19(35)17-13(33)5-10(6-14(17)42-24(26)9-2-3-11(31)12(32)4-9)41-27-23(39)21(37)25(16(8-30)44-27)45-28-22(38)20(36)18(34)15(7-29)43-28/h2-6,15-16,18,20-23,25,27-34,36-39H,7-8H2,1H3

InChI Key

ZEFAZHUPULGHQG-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-7-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-7-O-glucuronides

Alternative Parents

Substituents

Flavonoid-7-o-glucuronide
Flavonoid-7-o-glycoside
3p-methoxyflavonoid-skeleton
3'-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
Flavone
Hydroxyflavonoid
Phenolic glycoside
1-o-glucuronide
O-glucuronide
Glucuronic acid or derivatives
Hexose monosaccharide
Chromone
Glycosyl compound
O-glycosyl compound
Benzopyran
Methoxyphenol
1-benzopyran
Catechol
Phenol ether
Methoxybenzene
Phenoxy compound
Anisole
Phenol
Beta-hydroxy acid
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Pyranone
Alkyl aryl ether
Oxane
Pyran
Benzenoid
Monosaccharide
Hydroxy acid
Monocyclic benzene moiety
Heteroaromatic compound
Vinylogous acid
Secondary alcohol
Polyol
Monocarboxylic acid or derivatives
Acetal
Organoheterocyclic compound
Oxacycle
Ether
Carboxylic acid derivative
Carboxylic acid
Organooxygen compound
Organic oxide
Alcohol
Carbonyl group
Organic oxygen compound
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0039901)
Cytoplasm (HMDB: HMDB0039901)

Source

Exogenous

Exogenous (HMDB: HMDB0039901)

Food

Food (HMDB: HMDB0039901)

Endogenous

Plant

Plant (HMDB: HMDB0039901)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0039901)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	283 - 284 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	3.4 g/L	ALOGPS
logP	-0.46	ALOGPS
logP	-1.8	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	8.11	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	274.75 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	146.17 m³·mol⁻¹	ChemAxon
Polarizability	61.9 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
DarkChem	[M+H]+	244.02	31661259
DarkChem	[M-H]-	235.295	31661259
DeepCCS	[M+H]+	240.929	30932474
DeepCCS	[M-H]-	238.964	30932474
DeepCCS	[M-2H]-	272.29	30932474
DeepCCS	[M+Na]+	247.816	30932474
AllCCS	[M+H]+	236.3	32859911
AllCCS	[M+H-H2O]+	235.3	32859911
AllCCS	[M+NH4]+	237.2	32859911
AllCCS	[M+Na]+	237.5	32859911
AllCCS	[M-H]-	232.7	32859911
AllCCS	[M+Na-2H]-	235.4	32859911
AllCCS	[M+HCOO]-	238.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside]	COC1=C(OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C=C1	5461.4	Standard polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside]	COC1=C(OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C=C1	5406.8	Standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside]	COC1=C(OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C=C1	5815.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],1TMS,isomer #1	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5689.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],1TMS,isomer #10	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5728.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],1TMS,isomer #2	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5678.0	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],1TMS,isomer #3	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5697.3	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],1TMS,isomer #4	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O)=CC(O)=C2C1=O	5689.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],1TMS,isomer #5	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5694.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],1TMS,isomer #6	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5715.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],1TMS,isomer #7	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5719.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],1TMS,isomer #8	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5680.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],1TMS,isomer #9	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5715.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #1	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5571.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #10	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5555.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #11	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5533.0	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #12	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5567.0	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #13	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O)=CC(O)=C2C1=O	5554.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #14	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5561.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #15	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5572.0	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #16	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5584.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #17	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5544.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #18	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5558.4	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #19	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5532.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #2	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5551.4	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #20	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)C3O)=CC(O)=C2C1=O	5580.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #21	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5559.4	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #22	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5583.4	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #23	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5598.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #24	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5551.4	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #25	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O)=CC(O)=C2C1=O	5529.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #26	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O)=CC(O)=C2C1=O	5500.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #27	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5579.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #28	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5567.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #29	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5584.0	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #3	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5574.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #30	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5528.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #31	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5550.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #32	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5524.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #33	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5575.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #34	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5588.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #35	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5541.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #36	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5570.4	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #37	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5548.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #38	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5628.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #39	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5559.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #4	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5576.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #40	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5591.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #41	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5572.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #42	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C1=O	5577.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #43	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5543.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #44	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5517.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #45	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5556.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #5	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O)=CC(O)=C2C1=O	5567.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #6	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5575.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #7	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5590.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #8	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5621.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TMS,isomer #9	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5559.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #1	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5410.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #10	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5387.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #100	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C1=O	5404.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #101	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5394.3	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #102	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5393.0	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #103	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5427.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #104	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5359.4	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #105	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5362.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #106	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5397.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #107	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5327.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #108	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5489.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #109	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5403.3	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #11	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O)=CC(O)=C2C1=O	5346.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #110	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C1=O	5431.3	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #111	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5408.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #112	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5468.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #113	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5370.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #114	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5445.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #115	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5339.0	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #116	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C1=O	5474.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #117	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5443.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #118	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C1=O	5404.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #119	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C1=O	5373.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #12	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5379.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #120	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5378.4	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #13	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5380.3	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #14	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5441.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #15	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5347.3	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #16	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5446.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #17	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O)=CC(O)=C2C1=O	5425.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #18	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5443.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #19	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5440.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #2	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5406.0	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #20	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5497.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #21	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5407.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #22	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)C3O)=CC(O)=C2C1=O	5447.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #23	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5435.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #24	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5456.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #25	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5520.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #26	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5423.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #27	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5444.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #28	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5426.0	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #29	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5489.0	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #3	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5413.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #30	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5385.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #31	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5447.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #32	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5508.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #33	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5410.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #34	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5542.4	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #35	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5421.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #36	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C1=O	5468.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #37	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5387.3	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #38	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5397.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #39	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O)=CC(O)=C2C1=O	5364.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #4	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O)=CC(O)=C2C1=O	5377.0	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #40	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5391.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #41	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5379.4	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #42	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5414.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #43	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5349.3	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #44	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5371.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #45	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O)=CC(O)=C2C1=O	5332.3	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #46	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5362.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #47	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5352.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #48	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5388.0	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #49	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5316.0	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #5	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5408.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #50	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)C3O)=CC(O)=C2C1=O	5420.0	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #51	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5422.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #52	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5429.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #53	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5452.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #54	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5405.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #55	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5415.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #56	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5406.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #57	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5429.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #58	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5372.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #59	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5424.4	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #6	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5407.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #60	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5445.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #61	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5393.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #62	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5474.0	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #63	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5395.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #64	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C1=O	5421.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #65	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5410.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #66	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)C3O)=CC(O)=C2C1=O	5399.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #67	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5393.4	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #68	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5402.4	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #69	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5438.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #7	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5464.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #70	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5377.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #71	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)C3O)=CC(O)=C2C1=O	5371.0	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #72	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5361.3	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #73	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5373.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #74	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5411.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #75	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5348.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #76	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5452.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #77	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5431.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #78	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5457.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #79	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5406.3	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #8	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5376.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #80	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5423.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #81	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5445.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #82	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5399.4	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #83	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5503.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #84	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5414.3	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #85	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C1=O	5444.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #86	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O)=CC(O)=C2C1=O	5364.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #87	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5402.3	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #88	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5362.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #89	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5398.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #9	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5378.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #90	COC1=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5324.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #91	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5373.3	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #92	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5331.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #93	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5369.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #94	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5291.3	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #95	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O	5433.4	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #96	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5456.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #97	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5403.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #98	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC(O)=C2C1=O	5472.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],3TMS,isomer #99	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C3O)=CC(O[Si](C)(C)C)=C2C1=O	5374.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],1TBDMS,isomer #1	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5885.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],1TBDMS,isomer #10	COC1=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5915.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],1TBDMS,isomer #2	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5882.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],1TBDMS,isomer #3	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5925.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],1TBDMS,isomer #4	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C3O)=CC(O)=C2C1=O	5908.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],1TBDMS,isomer #5	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5906.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],1TBDMS,isomer #6	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C3O)=CC(O)=C2C1=O	5941.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],1TBDMS,isomer #7	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2C1=O	5946.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],1TBDMS,isomer #8	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O	5877.4	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],1TBDMS,isomer #9	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5895.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #1	COC1=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5951.4	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #10	COC1=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5931.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #11	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5895.3	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #12	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5918.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #13	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C3O)=CC(O)=C2C1=O	5909.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #14	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5906.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #15	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C3O)=CC(O)=C2C1=O	5932.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #16	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2C1=O	5946.4	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #17	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C(O)C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O	5921.3	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #18	COC1=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5942.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #19	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5908.0	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #2	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5919.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #20	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C3O)=CC(O)=C2C1=O	5924.4	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #21	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5915.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #22	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C3O)=CC(O)=C2C1=O	5954.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #23	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2C1=O	5968.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #24	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O	5940.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #25	COC1=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C3O)=CC(O)=C2C1=O	5917.0	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #26	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C3O)=CC(O)=C2C1=O	5878.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #27	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5919.8	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #28	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O[Si](C)(C)C(C)(C)C)C3O)=CC(O)=C2C1=O	5919.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #29	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2C1=O	5933.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #3	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5925.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #30	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O	5906.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #31	COC1=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5911.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #32	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5874.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #33	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=CC(O)=C2C1=O	5925.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #34	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2C1=O	5940.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #35	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O	5908.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #36	COC1=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C3O)=CC(O)=C2C1=O	5961.2	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #37	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C3O)=CC(O)=C2C1=O	5928.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #38	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2C1=O	5990.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #39	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O	5947.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #4	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5937.3	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #40	COC1=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2C1=O	5976.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #41	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2C1=O	5946.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #42	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O	5962.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #43	COC1=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O	5955.7	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #44	COC1=C(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O	5919.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #45	COC1=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O	5941.9	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #5	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C3O)=CC(O)=C2C1=O	5907.5	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #6	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C3O)=CC(O)=C2C1=O	5909.6	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #7	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C3O)=CC(O)=C2C1=O	5949.4	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #8	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2C1=O	5971.1	Semi standard non polar	33892256
3-Methylquercetin 7-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #9	COC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O	5936.3	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (Non-derivatized) - 70eV, Positive	splash10-0229-5634239000-b38e2ff54c99618ed646	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] 10V, Positive-QTOF	splash10-0300-0139707000-19242d498a1e135b1be5	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] 20V, Positive-QTOF	splash10-014i-0249400000-526c97f4a71440b5efce	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] 40V, Positive-QTOF	splash10-02t9-1659100000-5f4858a682d184ff33c2	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] 10V, Negative-QTOF	splash10-00n0-1336309000-05dd882ffc1b6b395a28	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] 20V, Negative-QTOF	splash10-014i-2449403000-a0282ca5377ebe8c21b7	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] 40V, Negative-QTOF	splash10-014i-3769100000-6eb194091285df1feee8	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] 10V, Positive-QTOF	splash10-0006-0000009000-8fcc55a04373103133f8	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] 20V, Positive-QTOF	splash10-0006-0000009000-cc3744409f745613fc41	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] 40V, Positive-QTOF	splash10-004l-2000915000-7f13db32919d677c2fad	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] 10V, Negative-QTOF	splash10-000i-0000009000-a9e4685593de70b98d2a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] 20V, Negative-QTOF	splash10-000i-0000319000-33fad8477a53e2f88a1d	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] 40V, Negative-QTOF	splash10-07kf-2500932000-9968cd76b1a87855a444	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB019562

KNApSAcK ID

Not Available

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

74978426

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 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] (HMDB0039901)

MOL for HMDB0039901 (3-Methylquercetin 7-[galactosyl-(1->4)-glucoside])

3D MOL for HMDB0039901 (3-Methylquercetin 7-[galactosyl-(1->4)-glucoside])

3D SDF for HMDB0039901 (3-Methylquercetin 7-[galactosyl-(1->4)-glucoside])

3D-SDF for HMDB0039901 (3-Methylquercetin 7-[galactosyl-(1->4)-glucoside])

PDB for HMDB0039901 (3-Methylquercetin 7-[galactosyl-(1->4)-glucoside])

3D PDB for HMDB0039901 (3-Methylquercetin 7-[galactosyl-(1->4)-glucoside])

SMILES for HMDB0039901 (3-Methylquercetin 7-[galactosyl-(1->4)-glucoside])

INCHI for HMDB0039901 (3-Methylquercetin 7-[galactosyl-(1->4)-glucoside])

Structure for HMDB0039901 (3-Methylquercetin 7-[galactosyl-(1->4)-glucoside])

3D Structure for HMDB0039901 (3-Methylquercetin 7-[galactosyl-(1->4)-glucoside])

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra