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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:12:51 UTC

Update Date

2022-03-07 02:55:58 UTC

HMDB ID

HMDB0038866

Secondary Accession Numbers

HMDB38866

Metabolite Identification

Common Name

Quercetagetin 3'-methylether 7-glucoside

Description

Quercetagetin 3'-methylether 7-glucoside belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Quercetagetin 3'-methylether 7-glucoside has been detected, but not quantified in, garland chrysanthemums (Chrysanthemum coronarium) and herbs and spices. This could make quercetagetin 3'-methylether 7-glucoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Quercetagetin 3'-methylether 7-glucoside.

Structure

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

  Mrv0541 05061310422D          

 35 38  0  0  0  0            999 V2000
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    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
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.0000    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
   -2.8579    0.8250    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
    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
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  7  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  2  0  0  0  0
 16 14  1  0  0  0  0
 17 13  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
 21  7  1  0  0  0  0
 21 19  2  0  0  0  0
 22 20  1  0  0  0  0
 23  6  1  0  0  0  0
 24  8  1  0  0  0  0
 25 14  1  0  0  0  0
 26 15  1  0  0  0  0
 27 16  1  0  0  0  0
 28 17  2  0  0  0  0
 29 18  1  0  0  0  0
 30 19  1  0  0  0  0
 31 20  1  0  0  0  0
 32  1  1  0  0  0  0
 32  9  1  0  0  0  0
 33 10  1  0  0  0  0
 33 21  1  0  0  0  0
 34 11  1  0  0  0  0
 34 22  1  0  0  0  0
 35 12  1  0  0  0  0
 35 22  1  0  0  0  0
M  END

HMDB0038866
     RDKit          3D
Quercetagetin 3'-methylether 7-glucoside
 57 60  0  0  0  0  0  0  0  0999 V2000
    8.6190   -0.2527   -0.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3105    0.2388    0.8959 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0099    0.4169    1.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9505    0.1185    0.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6608    0.2731    0.7712 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5115   -0.0047   -0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2943    0.2061    0.4514 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930   -0.0129   -0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0361    0.2187    0.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2521   -0.0072   -0.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4185    0.2529    0.3037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7346    0.1623   -0.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3987   -0.7551    0.8024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6569   -1.0915    0.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4522   -1.7751    1.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7139   -2.0543    0.9917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3965    0.0498   -0.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1374    0.0858   -1.5527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8934    1.3319    0.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6333    2.3769   -0.0998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4623    1.5041    0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8261    2.3781    0.8706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1559   -0.4780   -1.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2764   -0.7356   -2.3695 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0795   -0.7369   -2.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670   -1.2097   -3.5190 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2470   -0.4916   -1.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4648   -0.7260   -2.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6129   -1.1562   -3.2256 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6191   -0.4800   -1.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611   -0.7262   -1.9280 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4191    0.7578    2.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4387    1.0590    2.9434 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7509    0.8868    2.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8068    1.1770    3.4036 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0528   -1.2076   -0.6175 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2772    0.4695   -1.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6964   -0.4700   -0.4844 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2360   -0.2427   -0.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828    0.5928    1.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8889   -0.2112   -1.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5610   -1.8745   -0.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5986   -1.1520    2.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9750   -2.7568    1.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5721   -2.3254    0.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5056   -0.0475   -0.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0947   -0.8526   -1.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0015    1.2760    1.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1643    2.7528   -0.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4669    1.9498   -0.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4925    3.0504    1.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2596   -1.0847   -3.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6970   -1.4688   -4.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8833   -1.0728   -2.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4058    0.9146    2.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2463    1.4333    3.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965    1.5264    4.3424 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  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 10 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
  5 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 34  3  1  0
 30  6  2  0
 27  8  1  0
 21 12  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  4 39  1  0
  9 40  1  0
 12 41  1  0
 14 42  1  0
 15 43  1  0
 15 44  1  0
 16 45  1  0
 17 46  1  0
 18 47  1  0
 19 48  1  0
 20 49  1  0
 21 50  1  0
 22 51  1  0
 24 52  1  0
 26 53  1  0
 31 54  1  0
 32 55  1  0
 33 56  1  0
 35 57  1  0
M  END

  Mrv0541 05061310422D          

 35 38  0  0  0  0            999 V2000
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    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
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.0000    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
   -2.8579    0.8250    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
    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
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  7  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  2  0  0  0  0
 16 14  1  0  0  0  0
 17 13  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
 21  7  1  0  0  0  0
 21 19  2  0  0  0  0
 22 20  1  0  0  0  0
 23  6  1  0  0  0  0
 24  8  1  0  0  0  0
 25 14  1  0  0  0  0
 26 15  1  0  0  0  0
 27 16  1  0  0  0  0
 28 17  2  0  0  0  0
 29 18  1  0  0  0  0
 30 19  1  0  0  0  0
 31 20  1  0  0  0  0
 32  1  1  0  0  0  0
 32  9  1  0  0  0  0
 33 10  1  0  0  0  0
 33 21  1  0  0  0  0
 34 11  1  0  0  0  0
 34 22  1  0  0  0  0
 35 12  1  0  0  0  0
 35 22  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038866

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C(O)=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C22H22O13/c1-32-9-4-7(2-3-8(9)24)21-19(30)17(28)13-10(33-21)5-11(14(25)16(13)27)34-22-20(31)18(29)15(26)12(6-23)35-22/h2-5,12,15,18,20,22-27,29-31H,6H2,1H3

> <INCHI_KEY>
WJYMEDBNOOSKGW-UHFFFAOYSA-N

> <FORMULA>
C22H22O13

> <MOLECULAR_WEIGHT>
494.4023

> <EXACT_MASS>
494.10604079

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
47.00172919783916

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
0.57

> <JCHEM_LOGP>
-0.26943989500000065

> <ALOGPS_LOGS>
-2.41

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.029201490031062

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.143610627675281

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810923549784256

> <JCHEM_POLAR_SURFACE_AREA>
215.82999999999993

> <JCHEM_REFRACTIVITY>
115.46979999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.91e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0038866
     RDKit          3D
Quercetagetin 3'-methylether 7-glucoside
 57 60  0  0  0  0  0  0  0  0999 V2000
    8.6190   -0.2527   -0.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3105    0.2388    0.8959 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0099    0.4169    1.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9505    0.1185    0.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6608    0.2731    0.7712 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5115   -0.0047   -0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2943    0.2061    0.4514 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930   -0.0129   -0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0361    0.2187    0.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2521   -0.0072   -0.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4185    0.2529    0.3037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7346    0.1623   -0.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3987   -0.7551    0.8024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6569   -1.0915    0.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4522   -1.7751    1.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7139   -2.0543    0.9917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3965    0.0498   -0.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1374    0.0858   -1.5527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8934    1.3319    0.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6333    2.3769   -0.0998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4623    1.5041    0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8261    2.3781    0.8706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1559   -0.4780   -1.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2764   -0.7356   -2.3695 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0795   -0.7369   -2.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670   -1.2097   -3.5190 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2470   -0.4916   -1.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4648   -0.7260   -2.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6129   -1.1562   -3.2256 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6191   -0.4800   -1.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611   -0.7262   -1.9280 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4191    0.7578    2.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4387    1.0590    2.9434 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7509    0.8868    2.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8068    1.1770    3.4036 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0528   -1.2076   -0.6175 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2772    0.4695   -1.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6964   -0.4700   -0.4844 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2360   -0.2427   -0.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828    0.5928    1.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8889   -0.2112   -1.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5610   -1.8745   -0.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5986   -1.1520    2.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9750   -2.7568    1.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5721   -2.3254    0.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5056   -0.0475   -0.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0947   -0.8526   -1.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0015    1.2760    1.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1643    2.7528   -0.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4669    1.9498   -0.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4925    3.0504    1.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2596   -1.0847   -3.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6970   -1.4688   -4.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8833   -1.0728   -2.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4058    0.9146    2.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2463    1.4333    3.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965    1.5264    4.3424 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  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 10 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
  5 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 34  3  1  0
 30  6  2  0
 27  8  1  0
 21 12  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  4 39  1  0
  9 40  1  0
 12 41  1  0
 14 42  1  0
 15 43  1  0
 15 44  1  0
 16 45  1  0
 17 46  1  0
 18 47  1  0
 19 48  1  0
 20 49  1  0
 21 50  1  0
 22 51  1  0
 24 52  1  0
 26 53  1  0
 31 54  1  0
 32 55  1  0
 33 56  1  0
 35 57  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       8.002   4.620   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       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.668   2.310   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      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -5.335   0.000   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -8.002   0.000   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -5.335   1.540   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       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
CONECT    1   32                                                            
CONECT    2    3    7                                                       
CONECT    3    2    8                                                       
CONECT    4    7    9                                                       
CONECT    5   10   11                                                       
CONECT    6   12   23                                                       
CONECT    7    2    4   21                                                  
CONECT    8    3    9   24                                                  
CONECT    9    4    8   32                                                  
CONECT   10    5   13   33                                                  
CONECT   11    5   14   34                                                  
CONECT   12    6   15   35                                                  
CONECT   13   10   16   17                                                  
CONECT   14   11   16   25                                                  
CONECT   15   12   18   26                                                  
CONECT   16   13   14   27                                                  
CONECT   17   13   19   28                                                  
CONECT   18   15   20   29                                                  
CONECT   19   17   21   30                                                  
CONECT   20   18   22   31                                                  
CONECT   21    7   19   33                                                  
CONECT   22   20   34   35                                                  
CONECT   23    6                                                            
CONECT   24    8                                                            
CONECT   25   14                                                            
CONECT   26   15                                                            
CONECT   27   16                                                            
CONECT   28   17                                                            
CONECT   29   18                                                            
CONECT   30   19                                                            
CONECT   31   20                                                            
CONECT   32    1    9                                                       
CONECT   33   10   21                                                       
CONECT   34   11   22                                                       
CONECT   35   12   22                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END

COMPND    HMDB0038866
HETATM    1  C1  UNL     1       8.619  -0.253  -0.415  1.00  0.00           C  
HETATM    2  O1  UNL     1       8.310   0.239   0.896  1.00  0.00           O  
HETATM    3  C2  UNL     1       7.010   0.417   1.300  1.00  0.00           C  
HETATM    4  C3  UNL     1       5.950   0.119   0.430  1.00  0.00           C  
HETATM    5  C4  UNL     1       4.661   0.273   0.771  1.00  0.00           C  
HETATM    6  C5  UNL     1       3.512  -0.005  -0.049  1.00  0.00           C  
HETATM    7  O2  UNL     1       2.294   0.206   0.451  1.00  0.00           O  
HETATM    8  C6  UNL     1       1.193  -0.013  -0.207  1.00  0.00           C  
HETATM    9  C7  UNL     1      -0.036   0.219   0.350  1.00  0.00           C  
HETATM   10  C8  UNL     1      -1.252  -0.007  -0.334  1.00  0.00           C  
HETATM   11  O3  UNL     1      -2.418   0.253   0.304  1.00  0.00           O  
HETATM   12  C9  UNL     1      -3.735   0.162  -0.018  1.00  0.00           C  
HETATM   13  O4  UNL     1      -4.399  -0.755   0.802  1.00  0.00           O  
HETATM   14  C10 UNL     1      -5.657  -1.092   0.433  1.00  0.00           C  
HETATM   15  C11 UNL     1      -6.452  -1.775   1.526  1.00  0.00           C  
HETATM   16  O5  UNL     1      -7.714  -2.054   0.992  1.00  0.00           O  
HETATM   17  C12 UNL     1      -6.397   0.050  -0.170  1.00  0.00           C  
HETATM   18  O6  UNL     1      -6.137   0.086  -1.553  1.00  0.00           O  
HETATM   19  C13 UNL     1      -5.893   1.332   0.453  1.00  0.00           C  
HETATM   20  O7  UNL     1      -6.633   2.377  -0.100  1.00  0.00           O  
HETATM   21  C14 UNL     1      -4.462   1.504   0.008  1.00  0.00           C  
HETATM   22  O8  UNL     1      -3.826   2.378   0.871  1.00  0.00           O  
HETATM   23  C15 UNL     1      -1.156  -0.478  -1.605  1.00  0.00           C  
HETATM   24  O9  UNL     1      -2.276  -0.736  -2.370  1.00  0.00           O  
HETATM   25  C16 UNL     1       0.079  -0.737  -2.236  1.00  0.00           C  
HETATM   26  O10 UNL     1       0.067  -1.210  -3.519  1.00  0.00           O  
HETATM   27  C17 UNL     1       1.247  -0.492  -1.502  1.00  0.00           C  
HETATM   28  C18 UNL     1       2.465  -0.726  -2.067  1.00  0.00           C  
HETATM   29  O11 UNL     1       2.613  -1.156  -3.226  1.00  0.00           O  
HETATM   30  C19 UNL     1       3.619  -0.480  -1.332  1.00  0.00           C  
HETATM   31  O12 UNL     1       4.861  -0.726  -1.928  1.00  0.00           O  
HETATM   32  C20 UNL     1       4.419   0.758   2.068  1.00  0.00           C  
HETATM   33  C21 UNL     1       5.439   1.059   2.943  1.00  0.00           C  
HETATM   34  C22 UNL     1       6.751   0.887   2.556  1.00  0.00           C  
HETATM   35  O13 UNL     1       7.807   1.177   3.404  1.00  0.00           O  
HETATM   36  H1  UNL     1       8.053  -1.208  -0.617  1.00  0.00           H  
HETATM   37  H2  UNL     1       8.277   0.469  -1.170  1.00  0.00           H  
HETATM   38  H3  UNL     1       9.696  -0.470  -0.484  1.00  0.00           H  
HETATM   39  H4  UNL     1       6.236  -0.243  -0.530  1.00  0.00           H  
HETATM   40  H5  UNL     1      -0.083   0.593   1.362  1.00  0.00           H  
HETATM   41  H6  UNL     1      -3.889  -0.211  -1.040  1.00  0.00           H  
HETATM   42  H7  UNL     1      -5.561  -1.874  -0.373  1.00  0.00           H  
HETATM   43  H8  UNL     1      -6.599  -1.152   2.411  1.00  0.00           H  
HETATM   44  H9  UNL     1      -5.975  -2.757   1.736  1.00  0.00           H  
HETATM   45  H10 UNL     1      -7.572  -2.325   0.044  1.00  0.00           H  
HETATM   46  H11 UNL     1      -7.506  -0.048  -0.027  1.00  0.00           H  
HETATM   47  H12 UNL     1      -6.095  -0.853  -1.913  1.00  0.00           H  
HETATM   48  H13 UNL     1      -6.001   1.276   1.553  1.00  0.00           H  
HETATM   49  H14 UNL     1      -6.164   2.753  -0.883  1.00  0.00           H  
HETATM   50  H15 UNL     1      -4.467   1.950  -1.000  1.00  0.00           H  
HETATM   51  H16 UNL     1      -4.493   3.050   1.221  1.00  0.00           H  
HETATM   52  H17 UNL     1      -2.260  -1.085  -3.316  1.00  0.00           H  
HETATM   53  H18 UNL     1       0.697  -1.469  -4.185  1.00  0.00           H  
HETATM   54  H19 UNL     1       4.883  -1.073  -2.867  1.00  0.00           H  
HETATM   55  H20 UNL     1       3.406   0.915   2.432  1.00  0.00           H  
HETATM   56  H21 UNL     1       5.246   1.433   3.944  1.00  0.00           H  
HETATM   57  H22 UNL     1       7.697   1.526   4.342  1.00  0.00           H  
CONECT    1    2   36   37   38
CONECT    2    3
CONECT    3    4    4   34
CONECT    4    5   39
CONECT    5    6   32   32
CONECT    6    7   30   30
CONECT    7    8
CONECT    8    9    9   27
CONECT    9   10   40
CONECT   10   11   23   23
CONECT   11   12
CONECT   12   13   21   41
CONECT   13   14
CONECT   14   15   17   42
CONECT   15   16   43   44
CONECT   16   45
CONECT   17   18   19   46
CONECT   18   47
CONECT   19   20   21   48
CONECT   20   49
CONECT   21   22   50
CONECT   22   51
CONECT   23   24   25
CONECT   24   52
CONECT   25   26   27   27
CONECT   26   53
CONECT   27   28
CONECT   28   29   29   30
CONECT   30   31
CONECT   31   54
CONECT   32   33   55
CONECT   33   34   34   56
CONECT   34   35
CONECT   35   57
END

HMDB0038866
     RDKit          3D
Quercetagetin 3'-methylether 7-glucoside
 57 60  0  0  0  0  0  0  0  0999 V2000
    8.6190   -0.2527   -0.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3105    0.2388    0.8959 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0099    0.4169    1.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9505    0.1185    0.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6608    0.2731    0.7712 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5115   -0.0047   -0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2943    0.2061    0.4514 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930   -0.0129   -0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0361    0.2187    0.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2521   -0.0072   -0.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4185    0.2529    0.3037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7346    0.1623   -0.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3987   -0.7551    0.8024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6569   -1.0915    0.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4522   -1.7751    1.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7139   -2.0543    0.9917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3965    0.0498   -0.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1374    0.0858   -1.5527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8934    1.3319    0.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6333    2.3769   -0.0998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4623    1.5041    0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8261    2.3781    0.8706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1559   -0.4780   -1.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2764   -0.7356   -2.3695 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0795   -0.7369   -2.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670   -1.2097   -3.5190 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2470   -0.4916   -1.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4648   -0.7260   -2.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6129   -1.1562   -3.2256 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6191   -0.4800   -1.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611   -0.7262   -1.9280 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4191    0.7578    2.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4387    1.0590    2.9434 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7509    0.8868    2.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8068    1.1770    3.4036 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0528   -1.2076   -0.6175 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2772    0.4695   -1.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6964   -0.4700   -0.4844 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2360   -0.2427   -0.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828    0.5928    1.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8889   -0.2112   -1.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5610   -1.8745   -0.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5986   -1.1520    2.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9750   -2.7568    1.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5721   -2.3254    0.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5056   -0.0475   -0.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0947   -0.8526   -1.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0015    1.2760    1.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1643    2.7528   -0.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4669    1.9498   -0.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4925    3.0504    1.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2596   -1.0847   -3.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6970   -1.4688   -4.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8833   -1.0728   -2.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4058    0.9146    2.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2463    1.4333    3.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965    1.5264    4.3424 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  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 10 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
  5 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 34  3  1  0
 30  6  2  0
 27  8  1  0
 21 12  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  4 39  1  0
  9 40  1  0
 12 41  1  0
 14 42  1  0
 15 43  1  0
 15 44  1  0
 16 45  1  0
 17 46  1  0
 18 47  1  0
 19 48  1  0
 20 49  1  0
 21 50  1  0
 22 51  1  0
 24 52  1  0
 26 53  1  0
 31 54  1  0
 32 55  1  0
 33 56  1  0
 35 57  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
3-Isoxazolecarboxylic acid, 4-benzoyl-, ethyl ester	HMDB
4-Benzoyl-3-isoxazolecarboxylic acid ethyl ester	HMDB
Quercetagetin 3'-methyl ether 7-glucoside	HMDB

Chemical Formula

C₂₂H₂₂O₁₃

Average Molecular Weight

494.4023

Monoisotopic Molecular Weight

494.10604079

IUPAC Name

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

Traditional Name

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

CAS Registry Number

29741-08-0

SMILES

COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C(O)=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1

InChI Identifier

InChI=1S/C22H22O13/c1-32-9-4-7(2-3-8(9)24)21-19(30)17(28)13-10(33-21)5-11(14(25)16(13)27)34-22-20(31)18(29)15(26)12(6-23)35-22/h2-5,12,15,18,20,22-27,29-31H,6H2,1H3

InChI Key

WJYMEDBNOOSKGW-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-7-O-glycosides

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0038866)
Cytoplasm (HMDB: HMDB0038866)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0038866)

Source

Exogenous

Exogenous (HMDB: HMDB0038866)

Food

Food (HMDB: HMDB0038866)

Vegetable

Leaf vegetable

Garland chrysanthemum (FooDB: FOOD00333)

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Endogenous

Plant

Plant (HMDB: HMDB0038866)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0038866)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.91 g/L	ALOGPS
logP	0.57	ALOGPS
logP	-0.27	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	8.14	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	215.83 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	115.47 m³·mol⁻¹	ChemAxon
Polarizability	47 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	207.917	30932474
DeepCCS	[M-H]-	205.521	30932474
DeepCCS	[M-2H]-	238.405	30932474
DeepCCS	[M+Na]+	213.829	30932474
AllCCS	[M+H]+	211.2	32859911
AllCCS	[M+H-H2O]+	209.1	32859911
AllCCS	[M+NH4]+	213.2	32859911
AllCCS	[M+Na]+	213.7	32859911
AllCCS	[M-H]-	208.4	32859911
AllCCS	[M+Na-2H]-	209.2	32859911
AllCCS	[M+HCOO]-	210.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Quercetagetin 3'-methylether 7-glucoside	COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C(O)=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1	5814.5	Standard polar	33892256
Quercetagetin 3'-methylether 7-glucoside	COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C(O)=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1	4512.2	Standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside	COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C(O)=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1	4672.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Quercetagetin 3'-methylether 7-glucoside,1TMS,isomer #1	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4640.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,1TMS,isomer #2	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O	4548.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,1TMS,isomer #3	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O	4598.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,1TMS,isomer #4	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O	4583.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,1TMS,isomer #5	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4645.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,1TMS,isomer #6	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4610.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,1TMS,isomer #7	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4600.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,1TMS,isomer #8	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4619.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #1	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4459.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #10	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4332.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #11	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4372.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #12	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O	4355.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #13	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O	4369.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #14	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4425.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #15	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4401.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #16	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4399.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #17	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4397.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #18	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O	4385.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #19	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4411.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #2	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4445.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #20	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4385.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #21	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4383.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #22	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4384.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #23	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4443.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #24	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4423.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #25	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4453.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #26	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4420.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #27	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4414.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #28	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4437.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #3	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4415.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #4	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4453.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #5	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4410.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #6	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4422.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #7	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4418.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #8	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4393.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TMS,isomer #9	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4367.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #1	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4339.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #10	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4248.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #11	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4258.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #12	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4348.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #13	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4232.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #14	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4229.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #15	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4206.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #16	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4268.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #17	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4248.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #18	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4267.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #19	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4262.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #2	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4285.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #20	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4220.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #21	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4214.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #22	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4240.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #23	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4189.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #24	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4251.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #25	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4189.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #26	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4205.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #27	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4197.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #28	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4211.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #29	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4194.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #3	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4351.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #30	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4198.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #31	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4220.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #32	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4182.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #33	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4192.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #34	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4183.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #35	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4188.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #36	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O	4191.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #37	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4274.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #38	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4259.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #39	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4275.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #4	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4259.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #40	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4224.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #41	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4224.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #42	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4233.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #43	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4221.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #44	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4254.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #45	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4210.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #46	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4212.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #47	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4271.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #48	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4250.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #49	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4274.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #5	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4247.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #50	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4229.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #51	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4236.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #52	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4261.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #53	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4307.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #54	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4348.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #55	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4331.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #56	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4343.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #6	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4264.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #7	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4314.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #8	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4317.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TMS,isomer #9	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4261.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #1	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4227.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #10	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4206.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #11	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4188.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #12	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4205.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #13	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4150.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #14	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4123.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #15	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4111.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #16	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4250.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #17	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4157.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #18	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4143.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #19	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4155.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #2	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4272.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #20	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4181.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #21	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4156.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #22	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4176.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #23	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4176.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #24	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4151.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #25	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4136.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #26	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4182.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #27	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4166.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #28	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4179.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #29	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4139.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #3	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4195.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #30	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4115.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #31	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4120.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #32	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4183.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #33	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4161.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #34	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4138.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #35	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4151.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #36	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4136.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #37	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4192.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #38	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4131.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #39	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4128.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #4	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4176.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #40	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4154.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #41	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4106.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #42	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4125.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #43	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4136.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #44	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4135.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #45	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4095.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #46	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4150.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #47	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4108.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #48	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4107.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #49	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4127.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #5	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4185.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #50	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4121.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #51	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4131.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #52	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4121.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #53	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4122.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #54	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4111.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #55	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4127.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #56	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4156.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #57	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4202.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #58	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4157.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #59	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4171.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #6	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4246.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #60	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4135.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #61	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4160.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #62	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4153.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #63	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4132.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #64	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4150.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #65	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4152.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #66	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4164.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #67	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4188.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #68	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4179.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #69	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4168.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #7	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4164.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #70	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4265.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #8	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4162.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,4TMS,isomer #9	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4136.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #1	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4233.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #10	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4097.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #11	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4146.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #12	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4144.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #13	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4151.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #14	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4084.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #15	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4078.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #16	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4094.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #17	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4139.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #18	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4114.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #19	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4104.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #2	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4131.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #20	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4072.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #21	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4141.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #22	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4131.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #23	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4150.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #24	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4105.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #25	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4089.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #26	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4083.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #27	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4136.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #28	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4114.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #29	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4103.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #3	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4132.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #30	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4098.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #31	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4120.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #32	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4099.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #33	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4091.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #34	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4067.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #35	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4102.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #36	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4140.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #37	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4073.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #38	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4082.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #39	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4113.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #4	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4134.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #40	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4113.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #41	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4066.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #42	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4081.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #43	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4091.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #44	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4050.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #45	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4073.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #46	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4075.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #47	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4076.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #48	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4061.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #49	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4082.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #5	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4156.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #50	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4066.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #51	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4145.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #52	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	4093.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #53	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4141.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #54	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4102.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #55	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4104.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #56	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	4126.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #6	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4166.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #7	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4177.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #8	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4122.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,5TMS,isomer #9	COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	4102.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,1TBDMS,isomer #1	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4884.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,1TBDMS,isomer #2	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O	4848.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,1TBDMS,isomer #3	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O	4861.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,1TBDMS,isomer #4	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O	4849.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,1TBDMS,isomer #5	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4893.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,1TBDMS,isomer #6	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4918.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,1TBDMS,isomer #7	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4913.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,1TBDMS,isomer #8	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4915.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #1	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4926.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #10	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4877.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #11	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4871.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #12	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O	4895.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #13	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O	4910.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #14	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4917.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #15	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4929.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #16	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4935.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #17	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4915.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #18	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O	4912.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #19	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4901.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #2	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4940.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #20	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4922.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #21	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4921.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #22	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4907.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #23	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4924.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #24	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4932.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #25	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4934.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #26	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4925.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #27	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4935.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #28	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4951.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #3	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4923.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #4	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4936.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #5	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4912.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #6	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4926.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #7	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4906.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #8	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4881.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,2TBDMS,isomer #9	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4877.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #1	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5003.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #10	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5022.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #11	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4970.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #12	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5013.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #13	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5007.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #14	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5011.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #15	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4945.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #16	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5008.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #17	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5004.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #18	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4970.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #19	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5020.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #2	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5007.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #20	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4988.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #21	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4985.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #22	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4923.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #23	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4931.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #24	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4930.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #25	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4945.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #26	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4938.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #27	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4909.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #28	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4915.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #29	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4976.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #3	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5016.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #30	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4961.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #31	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4927.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #32	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4973.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #33	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4970.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #34	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4956.4	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #35	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4936.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #36	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O	4952.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #37	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4994.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #38	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	5018.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #39	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4992.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #4	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4997.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #40	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	4980.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #41	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4983.5	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #42	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4982.3	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #43	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4999.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #44	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4995.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #45	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4986.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #46	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4983.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #47	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	4982.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #48	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	5005.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #49	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4984.7	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #5	COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5007.2	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #50	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4988.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #51	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4993.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #52	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5006.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #53	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	4988.9	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #54	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5002.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #55	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4998.1	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #56	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4975.0	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #6	COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4968.6	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #7	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4994.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #8	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5005.8	Semi standard non polar	33892256
Quercetagetin 3'-methylether 7-glucoside,3TBDMS,isomer #9	COC1=CC(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5020.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetagetin 3'-methylether 7-glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-08or-8302900000-ef166d73cf62e30441c7	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetagetin 3'-methylether 7-glucoside GC-MS (2 TMS) - 70eV, Positive	splash10-00di-5620119000-69d577e5064a2b3bcc7b	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetagetin 3'-methylether 7-glucoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagetin 3'-methylether 7-glucoside 10V, Positive-QTOF	splash10-001j-0109600000-ef69223b4dcecd73ec9e	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagetin 3'-methylether 7-glucoside 20V, Positive-QTOF	splash10-00lr-0109000000-2b3319c3358880c13aee	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagetin 3'-methylether 7-glucoside 40V, Positive-QTOF	splash10-015c-1926000000-40adaa016d4b5645c6db	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagetin 3'-methylether 7-glucoside 10V, Negative-QTOF	splash10-000x-1306900000-10b11f72c90e6b90580a	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagetin 3'-methylether 7-glucoside 20V, Negative-QTOF	splash10-001i-1219200000-eb1e4e520687cacbfe57	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagetin 3'-methylether 7-glucoside 40V, Negative-QTOF	splash10-05o3-5559000000-777f4fe4b51aae476b45	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagetin 3'-methylether 7-glucoside 10V, Negative-QTOF	splash10-0006-0000900000-000ea0d8fb0a0ce2d74b	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagetin 3'-methylether 7-glucoside 20V, Negative-QTOF	splash10-000x-0005900000-444090119e54a613d644	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagetin 3'-methylether 7-glucoside 40V, Negative-QTOF	splash10-001i-0009100000-52f761643a8a34af8bb9	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagetin 3'-methylether 7-glucoside 10V, Positive-QTOF	splash10-001j-0009400000-53d1bb9f3f45bae70ba3	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagetin 3'-methylether 7-glucoside 20V, Positive-QTOF	splash10-001i-0009100000-129036e1f4cb91f633ae	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagetin 3'-methylether 7-glucoside 40V, Positive-QTOF	splash10-001i-0009000000-9a57877c53466fab202c	2021-09-22	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

FDB018306

KNApSAcK ID

C00005654

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

74208821

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 Quercetagetin 3'-methylether 7-glucoside (HMDB0038866)

MOL for HMDB0038866 (Quercetagetin 3'-methylether 7-glucoside)

3D MOL for HMDB0038866 (Quercetagetin 3'-methylether 7-glucoside)

3D SDF for HMDB0038866 (Quercetagetin 3'-methylether 7-glucoside)

3D-SDF for HMDB0038866 (Quercetagetin 3'-methylether 7-glucoside)

PDB for HMDB0038866 (Quercetagetin 3'-methylether 7-glucoside)

3D PDB for HMDB0038866 (Quercetagetin 3'-methylether 7-glucoside)

SMILES for HMDB0038866 (Quercetagetin 3'-methylether 7-glucoside)

INCHI for HMDB0038866 (Quercetagetin 3'-methylether 7-glucoside)

Structure for HMDB0038866 (Quercetagetin 3'-methylether 7-glucoside)

3D Structure for HMDB0038866 (Quercetagetin 3'-methylether 7-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra