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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:38:01 UTC

Update Date

2022-03-07 02:52:37 UTC

HMDB ID

HMDB0030624

Secondary Accession Numbers

HMDB30624

Metabolite Identification

Common Name

Quercetagitrin

Description

Quercetagitrin 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. Based on a literature review very few articles have been published on Quercetagitrin.

Structure

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

  Mrv0541 05061305232D          

 34 37  0  0  0  0            999 V2000
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.5724    2.0625    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
    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
  2  1  2  0  0  0  0
  6  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  4  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15 12  2  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20  6  1  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22  5  1  0  0  0  0
 23  7  1  0  0  0  0
 24  8  1  0  0  0  0
 25 13  1  0  0  0  0
 26 14  1  0  0  0  0
 27 15  1  0  0  0  0
 28 16  2  0  0  0  0
 29 17  1  0  0  0  0
 30 18  1  0  0  0  0
 31 19  1  0  0  0  0
 32  9  1  0  0  0  0
 32 20  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 21  1  0  0  0  0
M  END

HMDB0030624
     RDKit          3D
Quercetagitrin
 54 57  0  0  0  0  0  0  0  0999 V2000
    2.4229   -2.7734    2.6754 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5206   -1.8448    1.8142 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7867   -1.3559    1.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8767   -1.9312    2.0817 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9358   -0.3554    0.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2228    0.1971    0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1910    1.2146   -0.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3239    1.8298   -1.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5364    1.4015   -0.8254 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.0273   -1.3204 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5819    0.3988    0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8137   -0.0069    0.5954 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4254   -0.2134    0.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8289    0.1271   -0.0067 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6304   -0.2933    0.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5152    0.2440   -0.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7756   -0.2110    0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8393    0.3762   -0.6093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1843    0.2243   -0.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7739    1.4807   -0.3332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1389    1.4301   -0.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6741    1.9428    1.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1864    1.1913    2.1311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7404    0.1028   -0.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1174    0.2752   -0.8379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1448   -0.6022   -1.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8840   -0.2779   -2.8922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7295   -0.1394   -1.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7640    1.0191   -2.7396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9670   -1.2196    0.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2067   -1.6896    1.2947 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.7591    1.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0878   -2.7768    2.4938 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4331   -1.2924    1.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8176   -2.6563    2.7555 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2416    1.5741   -1.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2510    2.6114   -2.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6138    1.7849   -1.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8714   -0.7320    1.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5481   -0.9854    1.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6284    1.0320   -1.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6314   -0.5296    0.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5299    2.1591   -1.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7765    1.8120    1.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4401    3.0099    1.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7222    1.4258    2.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6577   -0.5450    0.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2813    0.6925   -1.7076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1627   -1.7073   -1.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9632   -1.0537   -3.5058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0879   -0.8893   -2.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3651    1.7975   -2.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4164   -2.4003    1.9433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7862   -3.1409    2.7654 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
  5 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 17 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  2  0
 34  2  1  0
 13  6  1  0
 34 15  1  0
 28 19  1  0
  4 35  1  0
  7 36  1  0
  8 37  1  0
 10 38  1  0
 12 39  1  0
 13 40  1  0
 16 41  1  0
 19 42  1  0
 21 43  1  0
 22 44  1  0
 22 45  1  0
 23 46  1  0
 24 47  1  0
 25 48  1  0
 26 49  1  0
 27 50  1  0
 28 51  1  0
 29 52  1  0
 31 53  1  0
 33 54  1  0
M  END

  Mrv0541 05061305232D          

 34 37  0  0  0  0            999 V2000
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.5724    2.0625    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
    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
  2  1  2  0  0  0  0
  6  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  4  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15 12  2  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20  6  1  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22  5  1  0  0  0  0
 23  7  1  0  0  0  0
 24  8  1  0  0  0  0
 25 13  1  0  0  0  0
 26 14  1  0  0  0  0
 27 15  1  0  0  0  0
 28 16  2  0  0  0  0
 29 17  1  0  0  0  0
 30 18  1  0  0  0  0
 31 19  1  0  0  0  0
 32  9  1  0  0  0  0
 32 20  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 21  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0030624

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=C(O)C(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H20O13/c22-5-11-14(26)17(29)19(31)21(34-11)33-10-4-9-12(15(27)13(10)25)16(28)18(30)20(32-9)6-1-2-7(23)8(24)3-6/h1-4,11,14,17,19,21-27,29-31H,5H2

> <INCHI_KEY>
IDTDRZPBDLMCLB-UHFFFAOYSA-N

> <FORMULA>
C21H20O13

> <MOLECULAR_WEIGHT>
480.3757

> <EXACT_MASS>
480.090390726

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
44.979976491589554

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
0.42

> <JCHEM_LOGP>
-0.41533395100000037

> <ALOGPS_LOGS>
-2.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.833438991796516

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.022760439701926

> <JCHEM_PKA_STRONGEST_BASIC>
-3.648395366008157

> <JCHEM_POLAR_SURFACE_AREA>
226.82999999999996

> <JCHEM_REFRACTIVITY>
110.9875

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.39e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0030624
     RDKit          3D
Quercetagitrin
 54 57  0  0  0  0  0  0  0  0999 V2000
    2.4229   -2.7734    2.6754 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5206   -1.8448    1.8142 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7867   -1.3559    1.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8767   -1.9312    2.0817 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9358   -0.3554    0.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2228    0.1971    0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1910    1.2146   -0.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3239    1.8298   -1.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5364    1.4015   -0.8254 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.0273   -1.3204 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5819    0.3988    0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8137   -0.0069    0.5954 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4254   -0.2134    0.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8289    0.1271   -0.0067 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6304   -0.2933    0.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5152    0.2440   -0.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7756   -0.2110    0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8393    0.3762   -0.6093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1843    0.2243   -0.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7739    1.4807   -0.3332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1389    1.4301   -0.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6741    1.9428    1.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1864    1.1913    2.1311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7404    0.1028   -0.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1174    0.2752   -0.8379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1448   -0.6022   -1.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8840   -0.2779   -2.8922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7295   -0.1394   -1.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7640    1.0191   -2.7396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9670   -1.2196    0.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2067   -1.6896    1.2947 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.7591    1.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0878   -2.7768    2.4938 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4331   -1.2924    1.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8176   -2.6563    2.7555 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2416    1.5741   -1.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2510    2.6114   -2.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6138    1.7849   -1.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8714   -0.7320    1.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5481   -0.9854    1.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6284    1.0320   -1.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6314   -0.5296    0.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5299    2.1591   -1.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7765    1.8120    1.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4401    3.0099    1.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7222    1.4258    2.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6577   -0.5450    0.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2813    0.6925   -1.7076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1627   -1.7073   -1.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9632   -1.0537   -3.5058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0879   -0.8893   -2.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3651    1.7975   -2.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4164   -2.4003    1.9433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7862   -3.1409    2.7654 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
  5 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 17 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  2  0
 34  2  1  0
 13  6  1  0
 34 15  1  0
 28 19  1  0
  4 35  1  0
  7 36  1  0
  8 37  1  0
 10 38  1  0
 12 39  1  0
 13 40  1  0
 16 41  1  0
 19 42  1  0
 21 43  1  0
 22 44  1  0
 22 45  1  0
 23 46  1  0
 24 47  1  0
 25 48  1  0
 26 49  1  0
 27 50  1  0
 28 51  1  0
 29 52  1  0
 31 53  1  0
 33 54  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334  -0.770   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      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -2.310   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      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -5.335   0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.001  -0.770   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  O   UNK     0      -6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       6.668   3.850   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       2.667   0.000   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      -4.001  -2.310   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    7                                                       
CONECT    3    6    8                                                       
CONECT    4    9   10                                                       
CONECT    5   11   22                                                       
CONECT    6    1    3   20                                                  
CONECT    7    2    8   23                                                  
CONECT    8    3    7   24                                                  
CONECT    9    4   12   32                                                  
CONECT   10    4   13   33                                                  
CONECT   11    5   14   34                                                  
CONECT   12    9   15   16                                                  
CONECT   13   10   15   25                                                  
CONECT   14   11   17   26                                                  
CONECT   15   12   13   27                                                  
CONECT   16   12   18   28                                                  
CONECT   17   14   19   29                                                  
CONECT   18   16   20   30                                                  
CONECT   19   17   21   31                                                  
CONECT   20    6   18   32                                                  
CONECT   21   19   33   34                                                  
CONECT   22    5                                                            
CONECT   23    7                                                            
CONECT   24    8                                                            
CONECT   25   13                                                            
CONECT   26   14                                                            
CONECT   27   15                                                            
CONECT   28   16                                                            
CONECT   29   17                                                            
CONECT   30   18                                                            
CONECT   31   19                                                            
CONECT   32    9   20                                                       
CONECT   33   10   21                                                       
CONECT   34   11   21                                                       
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END

COMPND    HMDB0030624
HETATM    1  O1  UNL     1       2.423  -2.773   2.675  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.521  -1.845   1.814  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.787  -1.356   1.457  1.00  0.00           C  
HETATM    4  O2  UNL     1       4.877  -1.931   2.082  1.00  0.00           O  
HETATM    5  C3  UNL     1       3.936  -0.355   0.533  1.00  0.00           C  
HETATM    6  C4  UNL     1       5.223   0.197   0.118  1.00  0.00           C  
HETATM    7  C5  UNL     1       5.191   1.215  -0.838  1.00  0.00           C  
HETATM    8  C6  UNL     1       6.324   1.830  -1.323  1.00  0.00           C  
HETATM    9  C7  UNL     1       7.536   1.402  -0.825  1.00  0.00           C  
HETATM   10  O3  UNL     1       8.675   2.027  -1.320  1.00  0.00           O  
HETATM   11  C8  UNL     1       7.582   0.399   0.117  1.00  0.00           C  
HETATM   12  O4  UNL     1       8.814  -0.007   0.595  1.00  0.00           O  
HETATM   13  C9  UNL     1       6.425  -0.213   0.598  1.00  0.00           C  
HETATM   14  O5  UNL     1       2.829   0.127  -0.007  1.00  0.00           O  
HETATM   15  C10 UNL     1       1.630  -0.293   0.292  1.00  0.00           C  
HETATM   16  C11 UNL     1       0.515   0.244  -0.299  1.00  0.00           C  
HETATM   17  C12 UNL     1      -0.776  -0.211   0.024  1.00  0.00           C  
HETATM   18  O6  UNL     1      -1.839   0.376  -0.609  1.00  0.00           O  
HETATM   19  C13 UNL     1      -3.184   0.224  -0.574  1.00  0.00           C  
HETATM   20  O7  UNL     1      -3.774   1.481  -0.333  1.00  0.00           O  
HETATM   21  C14 UNL     1      -5.139   1.430  -0.264  1.00  0.00           C  
HETATM   22  C15 UNL     1      -5.674   1.943   1.066  1.00  0.00           C  
HETATM   23  O8  UNL     1      -5.186   1.191   2.131  1.00  0.00           O  
HETATM   24  C16 UNL     1      -5.740   0.103  -0.592  1.00  0.00           C  
HETATM   25  O9  UNL     1      -7.117   0.275  -0.838  1.00  0.00           O  
HETATM   26  C17 UNL     1      -5.145  -0.602  -1.745  1.00  0.00           C  
HETATM   27  O10 UNL     1      -5.884  -0.278  -2.892  1.00  0.00           O  
HETATM   28  C18 UNL     1      -3.730  -0.139  -1.976  1.00  0.00           C  
HETATM   29  O11 UNL     1      -3.764   1.019  -2.740  1.00  0.00           O  
HETATM   30  C19 UNL     1      -0.967  -1.220   0.953  1.00  0.00           C  
HETATM   31  O12 UNL     1      -2.207  -1.690   1.295  1.00  0.00           O  
HETATM   32  C20 UNL     1       0.167  -1.759   1.548  1.00  0.00           C  
HETATM   33  O13 UNL     1       0.088  -2.777   2.494  1.00  0.00           O  
HETATM   34  C21 UNL     1       1.433  -1.292   1.211  1.00  0.00           C  
HETATM   35  H1  UNL     1       4.818  -2.656   2.755  1.00  0.00           H  
HETATM   36  H2  UNL     1       4.242   1.574  -1.250  1.00  0.00           H  
HETATM   37  H3  UNL     1       6.251   2.611  -2.061  1.00  0.00           H  
HETATM   38  H4  UNL     1       9.614   1.785  -1.018  1.00  0.00           H  
HETATM   39  H5  UNL     1       8.871  -0.732   1.279  1.00  0.00           H  
HETATM   40  H6  UNL     1       6.548  -0.985   1.331  1.00  0.00           H  
HETATM   41  H7  UNL     1       0.628   1.032  -1.028  1.00  0.00           H  
HETATM   42  H8  UNL     1      -3.631  -0.530   0.093  1.00  0.00           H  
HETATM   43  H9  UNL     1      -5.530   2.159  -1.034  1.00  0.00           H  
HETATM   44  H10 UNL     1      -6.776   1.812   1.067  1.00  0.00           H  
HETATM   45  H11 UNL     1      -5.440   3.010   1.209  1.00  0.00           H  
HETATM   46  H12 UNL     1      -5.722   1.426   2.930  1.00  0.00           H  
HETATM   47  H13 UNL     1      -5.658  -0.545   0.315  1.00  0.00           H  
HETATM   48  H14 UNL     1      -7.281   0.693  -1.708  1.00  0.00           H  
HETATM   49  H15 UNL     1      -5.163  -1.707  -1.676  1.00  0.00           H  
HETATM   50  H16 UNL     1      -5.963  -1.054  -3.506  1.00  0.00           H  
HETATM   51  H17 UNL     1      -3.088  -0.889  -2.454  1.00  0.00           H  
HETATM   52  H18 UNL     1      -3.365   1.797  -2.254  1.00  0.00           H  
HETATM   53  H19 UNL     1      -2.416  -2.400   1.943  1.00  0.00           H  
HETATM   54  H20 UNL     1      -0.786  -3.141   2.765  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   34
CONECT    3    4    5    5
CONECT    4   35
CONECT    5    6   14
CONECT    6    7    7   13
CONECT    7    8   36
CONECT    8    9    9   37
CONECT    9   10   11
CONECT   10   38
CONECT   11   12   13   13
CONECT   12   39
CONECT   13   40
CONECT   14   15
CONECT   15   16   16   34
CONECT   16   17   41
CONECT   17   18   30   30
CONECT   18   19
CONECT   19   20   28   42
CONECT   20   21
CONECT   21   22   24   43
CONECT   22   23   44   45
CONECT   23   46
CONECT   24   25   26   47
CONECT   25   48
CONECT   26   27   28   49
CONECT   27   50
CONECT   28   29   51
CONECT   29   52
CONECT   30   31   32
CONECT   31   53
CONECT   32   33   34   34
CONECT   33   54
END

HMDB0030624
     RDKit          3D
Quercetagitrin
 54 57  0  0  0  0  0  0  0  0999 V2000
    2.4229   -2.7734    2.6754 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5206   -1.8448    1.8142 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7867   -1.3559    1.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8767   -1.9312    2.0817 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9358   -0.3554    0.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2228    0.1971    0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1910    1.2146   -0.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3239    1.8298   -1.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5364    1.4015   -0.8254 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.0273   -1.3204 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5819    0.3988    0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8137   -0.0069    0.5954 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4254   -0.2134    0.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8289    0.1271   -0.0067 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6304   -0.2933    0.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5152    0.2440   -0.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7756   -0.2110    0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8393    0.3762   -0.6093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1843    0.2243   -0.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7739    1.4807   -0.3332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1389    1.4301   -0.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6741    1.9428    1.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1864    1.1913    2.1311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7404    0.1028   -0.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1174    0.2752   -0.8379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1448   -0.6022   -1.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8840   -0.2779   -2.8922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7295   -0.1394   -1.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7640    1.0191   -2.7396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9670   -1.2196    0.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2067   -1.6896    1.2947 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.7591    1.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0878   -2.7768    2.4938 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4331   -1.2924    1.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8176   -2.6563    2.7555 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2416    1.5741   -1.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2510    2.6114   -2.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6138    1.7849   -1.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8714   -0.7320    1.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5481   -0.9854    1.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6284    1.0320   -1.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6314   -0.5296    0.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5299    2.1591   -1.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7765    1.8120    1.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4401    3.0099    1.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7222    1.4258    2.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6577   -0.5450    0.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2813    0.6925   -1.7076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1627   -1.7073   -1.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9632   -1.0537   -3.5058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0879   -0.8893   -2.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3651    1.7975   -2.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4164   -2.4003    1.9433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7862   -3.1409    2.7654 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
  5 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 17 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  2  0
 34  2  1  0
 13  6  1  0
 34 15  1  0
 28 19  1  0
  4 35  1  0
  7 36  1  0
  8 37  1  0
 10 38  1  0
 12 39  1  0
 13 40  1  0
 16 41  1  0
 19 42  1  0
 21 43  1  0
 22 44  1  0
 22 45  1  0
 23 46  1  0
 24 47  1  0
 25 48  1  0
 26 49  1  0
 27 50  1  0
 28 51  1  0
 29 52  1  0
 31 53  1  0
 33 54  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Quercetagetin 7-glucoside	HMDB
Quercetagetin-7-O-glucoside	HMDB

Chemical Formula

C₂₁H₂₀O₁₃

Average Molecular Weight

480.3757

Monoisotopic Molecular Weight

480.090390726

IUPAC Name

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

Traditional Name

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

CAS Registry Number

548-75-4

SMILES

OCC1OC(OC2=C(O)C(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C21H20O13/c22-5-11-14(26)17(29)19(31)21(34-11)33-10-4-9-12(15(27)13(10)25)16(28)18(30)20(32-9)6-1-2-7(23)8(24)3-6/h1-4,11,14,17,19,21-27,29-31H,5H2

InChI Key

IDTDRZPBDLMCLB-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
Hydroxyflavonoid
3'-hydroxyflavonoid
3-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
6-hydroxyflavonoid
Flavone
Phenolic glycoside
Hexose monosaccharide
O-glycosyl compound
Glycosyl compound
Chromone
Benzopyran
1-benzopyran
Catechol
Pyranone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Pyran
Oxane
Monosaccharide
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
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: HMDB0030624)
Cytoplasm (HMDB: HMDB0030624)

Source

Endogenous

Endogenous (HMDB: HMDB0030624)

Plant

Plant (HMDB: HMDB0030624)

Exogenous

Food

Food (HMDB: HMDB0030624)

Exogenous (HMDB: HMDB0030624)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	236 - 238 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	43910 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2.39 g/L	ALOGPS
logP	0.42	ALOGPS
logP	-0.42	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	8.02	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	226.83 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	110.99 m³·mol⁻¹	ChemAxon
Polarizability	44.98 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]+	201.938	30932474
DeepCCS	[M-H]-	199.543	30932474
DeepCCS	[M-2H]-	232.426	30932474
DeepCCS	[M+Na]+	207.851	30932474
AllCCS	[M+H]+	207.3	32859911
AllCCS	[M+H-H2O]+	205.1	32859911
AllCCS	[M+NH4]+	209.4	32859911
AllCCS	[M+Na]+	209.9	32859911
AllCCS	[M-H]-	203.8	32859911
AllCCS	[M+Na-2H]-	204.4	32859911
AllCCS	[M+HCOO]-	205.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Quercetagitrin	OCC1OC(OC2=C(O)C(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	5680.4	Standard polar	33892256
Quercetagitrin	OCC1OC(OC2=C(O)C(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	4562.3	Standard non polar	33892256
Quercetagitrin	OCC1OC(OC2=C(O)C(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	4643.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Quercetagitrin,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O	4683.3	Semi standard non polar	33892256
Quercetagitrin,1TMS,isomer #2	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O	4622.6	Semi standard non polar	33892256
Quercetagitrin,1TMS,isomer #3	C[Si](C)(C)OC1=C(O)C(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O2	4632.1	Semi standard non polar	33892256
Quercetagitrin,1TMS,isomer #4	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O)C(O)C3O)=C(O)C(O)=C2C1=O	4623.3	Semi standard non polar	33892256
Quercetagitrin,1TMS,isomer #5	C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O	4711.3	Semi standard non polar	33892256
Quercetagitrin,1TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)C=C1O	4729.6	Semi standard non polar	33892256
Quercetagitrin,1TMS,isomer #7	C[Si](C)(C)OC1C(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)OC(CO)C(O)C1O	4694.2	Semi standard non polar	33892256
Quercetagitrin,1TMS,isomer #8	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C1O	4688.2	Semi standard non polar	33892256
Quercetagitrin,1TMS,isomer #9	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C1O	4695.1	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O)C1O	4570.7	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #10	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O	4467.1	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #11	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O	4492.1	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)C=C1O	4505.4	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #13	C[Si](C)(C)OC1=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	4469.6	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #14	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O	4457.2	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #15	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C	4476.6	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #16	C[Si](C)(C)OC1=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O2	4503.1	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #17	C[Si](C)(C)OC1=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O2	4479.3	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #18	C[Si](C)(C)OC1=C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O2	4511.5	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #19	C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)C=C1O	4521.8	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O	4533.7	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #20	C[Si](C)(C)OC1=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	4485.3	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #21	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C2C1=O	4478.2	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #22	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)C=C1O	4496.9	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #23	C[Si](C)(C)OC1=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	4473.3	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #24	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O)=C2C1=O	4504.6	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #25	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C2C1=O	4481.4	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #26	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C2C1=O	4511.7	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #27	C[Si](C)(C)OC1=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	4503.6	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #28	C[Si](C)(C)OC1=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	4472.3	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #29	C[Si](C)(C)OC1=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	4511.2	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O	4511.2	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #30	C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4529.8	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #31	C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	4541.2	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #32	C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4516.1	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4548.9	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #34	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C1O	4537.1	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #35	C[Si](C)(C)OC1C(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)OC(CO)C(O)C1O[Si](C)(C)C	4563.4	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #36	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C1O[Si](C)(C)C	4547.7	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O	4515.1	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O	4490.9	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4558.7	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4547.9	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4552.6	Semi standard non polar	33892256
Quercetagitrin,2TMS,isomer #9	C[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O	4486.9	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O	4382.6	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O	4310.1	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4396.9	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4336.6	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4386.2	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O	4327.3	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O	4323.0	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4401.8	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4358.7	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4388.3	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O	4342.6	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O)C1O	4336.8	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4410.9	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4365.0	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4397.9	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4406.3	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4366.1	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4394.6	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4482.0	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4481.5	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4460.8	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #29	C[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O	4374.1	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O)C1O	4329.8	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #30	C[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O	4377.9	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #31	C[Si](C)(C)OC1=CC=C(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)C=C1O	4330.2	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #32	C[Si](C)(C)OC1=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	4297.2	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #33	C[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O	4335.0	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #34	C[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C	4354.7	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #35	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O	4407.9	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #36	C[Si](C)(C)OC1=CC=C(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)C=C1O	4302.9	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #37	C[Si](C)(C)OC1=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	4268.9	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #38	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O	4302.5	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #39	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C	4330.8	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O)C1O	4335.2	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #40	C[Si](C)(C)OC1=CC=C(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)C=C1O	4342.1	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #41	C[Si](C)(C)OC1=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	4305.8	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #42	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O	4345.5	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #43	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C	4362.7	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #44	C[Si](C)(C)OC1=CC=C(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)C=C1O	4335.4	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #45	C[Si](C)(C)OC1=CC=C(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)C=C1O	4281.9	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #46	C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4347.4	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #47	C[Si](C)(C)OC1=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	4300.4	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #48	C[Si](C)(C)OC1=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	4258.2	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #49	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	4335.5	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4427.5	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #50	C[Si](C)(C)OC1=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O2	4374.2	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #51	C[Si](C)(C)OC1=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O2	4379.7	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #52	C[Si](C)(C)OC1=CC=C(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)C=C1O	4325.8	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #53	C[Si](C)(C)OC1=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	4294.7	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #54	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C2C1=O	4326.9	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #55	C[Si](C)(C)OC1=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O2	4407.9	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #56	C[Si](C)(C)OC1=CC=C(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)C=C1O	4305.6	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #57	C[Si](C)(C)OC1=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	4270.3	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #58	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C2C1=O	4294.7	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #59	C[Si](C)(C)OC1=CC=C(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)C=C1O	4330.0	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4366.2	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #60	C[Si](C)(C)OC1=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	4295.3	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #61	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2C1=O	4340.1	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #62	C[Si](C)(C)OC1=CC=C(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)C=C1O	4283.3	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #63	C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4329.2	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #64	C[Si](C)(C)OC1=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	4263.5	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #65	C[Si](C)(C)OC1=CC=C(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)C=C1O	4317.0	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #66	C[Si](C)(C)OC1=CC=C(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)C=C1O	4269.9	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #67	C[Si](C)(C)OC1=CC=C(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)C=C1O	4330.8	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #68	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4349.2	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #69	C[Si](C)(C)OC1=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	4291.8	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4417.3	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #70	C[Si](C)(C)OC1=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	4244.5	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #71	C[Si](C)(C)OC1=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	4305.5	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #72	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C2C1=O	4369.9	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #73	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C2C1=O	4376.9	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #74	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C2C1=O	4395.0	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #75	C[Si](C)(C)OC1=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	4352.7	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #76	C[Si](C)(C)OC1=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	4356.4	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #77	C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4388.6	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #78	C[Si](C)(C)OC1=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	4388.0	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #79	C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4347.5	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O	4317.0	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #80	C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4403.0	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #81	C[Si](C)(C)OC1=CC=C(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)C=C1O	4384.8	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #82	C[Si](C)(C)OC1=CC=C(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)C=C1O	4389.8	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #83	C[Si](C)(C)OC1=CC=C(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)C=C1O	4421.7	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #84	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4499.3	Semi standard non polar	33892256
Quercetagitrin,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O	4300.7	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O	4231.2	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4175.5	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #100	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4202.0	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #101	C[Si](C)(C)OC1=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	4149.1	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #102	C[Si](C)(C)OC1=CC=C(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)C=C1O	4211.2	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #103	C[Si](C)(C)OC1=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	4181.5	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #104	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2C1=O	4247.4	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #105	C[Si](C)(C)OC1=CC=C(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)C=C1O	4147.4	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #106	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4172.4	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #107	C[Si](C)(C)OC1=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	4133.5	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #108	C[Si](C)(C)OC1=CC=C(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)C=C1O	4170.2	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #109	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4206.5	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4232.7	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #110	C[Si](C)(C)OC1=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	4150.6	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #111	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4187.9	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #112	C[Si](C)(C)OC1=CC=C(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)C=C1O	4193.4	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #113	C[Si](C)(C)OC1=CC=C(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)C=C1O	4212.4	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #114	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4240.7	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #115	C[Si](C)(C)OC1=CC=C(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)C=C1O	4216.3	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #116	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4190.1	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #117	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4255.5	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #118	C[Si](C)(C)OC1=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	4174.5	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #119	C[Si](C)(C)OC1=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	4195.2	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O)C1O	4194.1	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #120	C[Si](C)(C)OC1=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	4196.9	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #121	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C2C1=O	4311.7	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #122	C[Si](C)(C)OC1=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	4265.4	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #123	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4253.7	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #124	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4270.0	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #125	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4277.7	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #126	C[Si](C)(C)OC1=CC=C(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)C=C1O	4295.2	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4237.2	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4204.6	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4230.1	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4247.5	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4201.1	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4236.7	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4296.3	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O	4199.9	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4326.2	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4280.6	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O	4140.8	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O	4142.9	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4233.0	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4158.5	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4213.3	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O	4171.9	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4213.6	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4180.2	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O	4210.6	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4203.7	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4216.0	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4177.8	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4207.2	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4268.6	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4299.6	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4252.0	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O	4231.6	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4269.1	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #39	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4212.7	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4300.1	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4258.6	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4276.6	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4218.6	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #43	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4268.3	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #44	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4326.1	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #45	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4368.5	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #46	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4308.2	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #47	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4308.3	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #48	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4253.7	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #49	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4300.6	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4223.6	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #50	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4329.4	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #51	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4356.3	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #52	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4307.8	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #53	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4332.3	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #54	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4336.2	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #55	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4315.8	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #56	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4437.6	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #57	C[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O	4321.7	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #58	C[Si](C)(C)OC1=CC=C(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)C=C1O	4199.0	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #59	C[Si](C)(C)OC1=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	4168.9	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4286.5	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #60	C[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O	4242.3	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #61	C[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C	4272.8	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #62	C[Si](C)(C)OC1=CC=C(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)C=C1O	4221.3	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #63	C[Si](C)(C)OC1=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	4190.4	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #64	C[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O	4254.4	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #65	C[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C	4284.4	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #66	C[Si](C)(C)OC1=CC=C(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)C=C1O	4211.9	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #67	C[Si](C)(C)OC1=CC=C(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)C=C1O	4178.1	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #68	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4221.3	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #69	C[Si](C)(C)OC1=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	4184.2	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O)C1O	4157.7	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #70	C[Si](C)(C)OC1=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	4159.0	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #71	C[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	4259.0	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #72	C[Si](C)(C)OC1=CC=C(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)C=C1O	4222.3	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #73	C[Si](C)(C)OC1=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	4191.8	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #74	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O	4259.7	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #75	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C	4290.4	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #76	C[Si](C)(C)OC1=CC=C(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)C=C1O	4175.5	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #77	C[Si](C)(C)OC1=CC=C(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)C=C1O	4146.7	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #78	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4179.5	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #79	C[Si](C)(C)OC1=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	4150.8	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O)C1O	4163.3	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #80	C[Si](C)(C)OC1=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	4129.8	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #81	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	4213.7	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #82	C[Si](C)(C)OC1=CC=C(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)C=C1O	4221.8	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #83	C[Si](C)(C)OC1=CC=C(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)C=C1O	4185.5	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #84	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4226.7	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #85	C[Si](C)(C)OC1=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	4189.4	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #86	C[Si](C)(C)OC1=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	4164.4	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #87	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	4270.1	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #88	C[Si](C)(C)OC1=CC=C(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)C=C1O	4183.9	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #89	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4228.5	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4250.5	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #90	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4205.5	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #91	C[Si](C)(C)OC1=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	4164.4	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #92	C[Si](C)(C)OC1=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O2	4309.1	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #93	C[Si](C)(C)OC1=CC=C(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)C=C1O	4188.1	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #94	C[Si](C)(C)OC1=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	4159.4	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #95	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C2C1=O	4225.8	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #96	C[Si](C)(C)OC1=CC=C(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)C=C1O	4203.7	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #97	C[Si](C)(C)OC1=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	4176.3	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #98	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2C1=O	4244.0	Semi standard non polar	33892256
Quercetagitrin,4TMS,isomer #99	C[Si](C)(C)OC1=CC=C(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)C=C1O	4167.4	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O	4104.8	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4193.5	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #100	C[Si](C)(C)OC1=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	4069.4	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #101	C[Si](C)(C)OC1=CC=C(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)C=C1O	4124.9	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #102	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4183.4	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #103	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4159.0	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #104	C[Si](C)(C)OC1=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	4111.8	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #105	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4157.6	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #106	C[Si](C)(C)OC1=CC=C(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)C=C1O	4163.2	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #107	C[Si](C)(C)OC1=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	4139.4	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #108	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2C1=O	4192.0	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #109	C[Si](C)(C)OC1=CC=C(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)C=C1O	4094.6	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4136.1	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #110	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4141.0	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #111	C[Si](C)(C)OC1=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	4088.2	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #112	C[Si](C)(C)OC1=CC=C(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)C=C1O	4115.4	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #113	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4165.0	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #114	C[Si](C)(C)OC1=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	4107.9	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #115	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4135.1	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #116	C[Si](C)(C)OC1=CC=C(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)C=C1O	4108.6	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #117	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4160.0	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #118	C[Si](C)(C)OC1=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	4100.2	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #119	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4109.6	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4176.3	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #120	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4141.4	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #121	C[Si](C)(C)OC1=CC=C(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)C=C1O	4173.0	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #122	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4165.0	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #123	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4188.5	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #124	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4185.1	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #125	C[Si](C)(C)OC1=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	4155.6	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #126	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4236.3	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4234.7	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4247.6	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4218.3	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O)C1O	4088.9	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4130.0	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4109.8	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4119.9	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O	4117.4	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4140.2	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4095.0	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4124.6	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4173.3	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4200.0	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4155.5	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4166.9	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4110.7	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4151.3	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4173.7	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4200.0	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4195.7	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4159.9	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4183.6	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4189.6	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4169.5	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O)=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4267.0	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O	4078.1	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4115.1	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4102.3	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #39	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4107.6	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4137.2	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4124.1	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4083.4	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4111.4	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #43	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4155.8	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #44	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4183.7	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #45	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4140.0	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #46	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4146.6	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #47	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4093.8	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #48	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4132.2	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #49	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4152.7	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4179.7	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #50	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4174.6	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #51	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4140.2	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #52	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4159.9	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #53	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4166.5	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #54	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4147.6	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #55	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C)=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4242.1	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #56	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4192.7	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #57	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4124.3	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #58	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4174.2	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #59	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4194.7	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O	4134.9	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #60	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4229.5	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #61	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4174.1	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #62	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4209.2	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #63	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4241.9	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #64	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4192.3	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #65	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4310.2	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #66	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4243.9	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #67	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4280.3	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #68	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4227.7	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #69	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4300.6	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)C(O[Si](C)(C)C)C(O)C1O	4167.9	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #70	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4292.8	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #71	C[Si](C)(C)OC1=CC=C(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)C=C1O	4176.0	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #72	C[Si](C)(C)OC1=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	4152.0	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #73	C[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O	4210.6	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #74	C[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C	4246.4	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #75	C[Si](C)(C)OC1=CC=C(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)C=C1O	4130.0	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #76	C[Si](C)(C)OC1=CC=C(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)C=C1O	4104.2	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #77	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4149.0	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #78	C[Si](C)(C)OC1=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	4111.5	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #79	C[Si](C)(C)OC1=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	4093.4	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)C(O)C(O[Si](C)(C)C)C1O	4133.8	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #80	C[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	4163.1	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #81	C[Si](C)(C)OC1=CC=C(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)C=C1O	4164.3	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #82	C[Si](C)(C)OC1=CC=C(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)C=C1O	4131.4	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #83	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4180.0	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #84	C[Si](C)(C)OC1=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	4142.5	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #85	C[Si](C)(C)OC1=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	4119.7	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #86	C[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	4189.5	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #87	C[Si](C)(C)OC1=CC=C(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)C=C1O	4115.2	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #88	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4179.5	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #89	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4152.5	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)O3)C(O)C(O)C1O[Si](C)(C)C	4154.4	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #90	C[Si](C)(C)OC1=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	4107.1	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #91	C[Si](C)(C)OC1=CC=C(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)C=C1O	4147.6	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #92	C[Si](C)(C)OC1=CC=C(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)C=C1O	4114.5	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #93	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4167.8	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #94	C[Si](C)(C)OC1=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	4127.3	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #95	C[Si](C)(C)OC1=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	4103.6	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #96	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C	4176.3	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #97	C[Si](C)(C)OC1=CC=C(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)C=C1O	4070.8	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #98	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4130.4	Semi standard non polar	33892256
Quercetagitrin,5TMS,isomer #99	C[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C	4114.5	Semi standard non polar	33892256
Quercetagitrin,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O	4925.9	Semi standard non polar	33892256
Quercetagitrin,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O	4885.8	Semi standard non polar	33892256
Quercetagitrin,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=C(O)C(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O2	4899.2	Semi standard non polar	33892256
Quercetagitrin,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O)C(O)C3O)=C(O)C(O)=C2C1=O	4902.7	Semi standard non polar	33892256
Quercetagitrin,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC=C1O	4945.0	Semi standard non polar	33892256
Quercetagitrin,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)C=C1O	4964.7	Semi standard non polar	33892256
Quercetagitrin,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)OC(CO)C(O)C1O	4970.0	Semi standard non polar	33892256
Quercetagitrin,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C1O	4967.6	Semi standard non polar	33892256
Quercetagitrin,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C1O	4976.7	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)O3)C(O)C(O)C1O	5035.1	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O	4973.7	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O	4988.4	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O	5016.2	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=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	4976.6	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O	4963.3	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C(C)(C)C	4977.8	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O2	4996.4	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O2	4983.6	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O2	4998.5	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O	5025.2	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)O3)C(O)C(O)C1O	5001.6	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=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	4986.5	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2C1=O	4971.8	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O	5004.2	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=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	4975.9	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C(O)=C2C1=O	4982.9	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O)=C2C1=O	4966.0	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C2C1=O	4982.1	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=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	5000.3	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=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	5000.5	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=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	4994.3	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O	4992.6	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5011.1	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O	5035.3	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O	5040.0	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O	5030.1	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C(C)(C)C)C1O	5042.8	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1C(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	5051.2	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C1O[Si](C)(C)C(C)(C)C	5032.2	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C(C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O	5011.9	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C(C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O	4993.6	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5037.7	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5027.5	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5016.9	Semi standard non polar	33892256
Quercetagitrin,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O	4988.8	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)O3)C(O)C(O)C1O	5073.3	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C(C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)O3)C(O)C(O)C1O	5041.1	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)O3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5054.9	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)O3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5058.0	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)O3)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5040.6	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C(C)(C)C)=C2O)C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O	5014.3	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C(C)(C)C)C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O	5028.1	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5036.3	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5027.0	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5024.5	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C(C)(C)C)=C2O[Si](C)(C)C(C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O	5049.0	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)O3)C(O)C(O)C1O	5045.5	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C(C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5081.8	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C(C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5075.9	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C(C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5062.9	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C(C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5075.6	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C(C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5074.3	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C(C)(C)C)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5057.4	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	5102.2	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	5106.9	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5090.6	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O	5057.2	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C(C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)O3)C(O)C(O)C1O	5101.6	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O	5074.7	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O	5102.0	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=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	5057.6	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O	5022.1	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C(C)(C)C	5048.4	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O	5079.6	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O	5112.6	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=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	5056.2	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O	5010.1	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C(C)(C)C	5039.8	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O[Si](C)(C)C(C)(C)C)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)O3)C(O)C(O)C1O	5088.4	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O	5087.8	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=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	5045.3	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O	5024.5	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C(C)(C)C	5050.8	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O	5096.6	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O	5064.6	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C(C)(C)C	5082.4	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1=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	5053.4	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1=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	5026.1	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O[Si](C)(C)C(C)(C)C	5024.2	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)O3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5095.5	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1=C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O2	5045.2	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1=C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O2	5063.0	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O	5107.8	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1=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	5059.4	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2C1=O	5000.5	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O2	5066.8	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O	5126.2	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OC1=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	5067.5	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2C1=O	4991.3	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #59	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O	5086.0	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)O3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5101.8	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #60	CC(C)(C)[Si](C)(C)OC1=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	5041.1	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2C1=O	5004.0	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O	5065.5	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C(C)(C)C	5082.9	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #64	CC(C)(C)[Si](C)(C)OC1=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	5024.2	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O	5036.2	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #66	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O	5021.1	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #67	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O	5032.3	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #68	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C(C)(C)C	5055.8	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #69	CC(C)(C)[Si](C)(C)OC1=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	4999.7	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)O3)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5081.6	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #70	CC(C)(C)[Si](C)(C)OC1=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	4982.4	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #71	CC(C)(C)[Si](C)(C)OC1=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	4998.8	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #72	CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O)=C2C1=O	4999.2	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #73	CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C2C1=O	5017.3	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #74	CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C2C1=O	5022.5	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #75	CC(C)(C)[Si](C)(C)OC1=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	5037.2	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #76	CC(C)(C)[Si](C)(C)OC1=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	5049.4	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #77	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C(C)(C)C	5071.9	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #78	CC(C)(C)[Si](C)(C)OC1=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	5056.2	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #79	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C(C)(C)C	5053.4	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)O3)C(O)C(O)C1O	5010.0	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #80	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O[Si](C)(C)C(C)(C)C	5072.6	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #81	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O	5080.7	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #82	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O	5094.0	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #83	CC(C)(C)[Si](C)(C)OC1=CC=C(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)C=C1O	5098.4	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #84	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O)=C2)O3)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5081.8	Semi standard non polar	33892256
Quercetagitrin,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(O[Si](C)(C)C(C)(C)C)=C2O)C(=O)C(O)=C(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)O3)C(O)C(O)C1O	5054.0	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 - Quercetagitrin GC-MS (Non-derivatized) - 70eV, Positive	splash10-03xr-7805900000-54b7b5f7d30e7b311773	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetagitrin GC-MS (3 TMS) - 70eV, Positive	splash10-001r-3620009000-f85175384394e651ef3a	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetagitrin GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetagitrin GC-MS (TBDMS_3_35) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetagitrin GC-MS ("Quercetagitrin,3TBDMS,#35" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Quercetagitrin 6V, Positive-QTOF	splash10-014i-0009000000-9763b6d249e81b68ac62	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Quercetagitrin 6V, Positive-QTOF	splash10-014i-0009000000-25a7f3e95573bb03c088	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagitrin 10V, Positive-QTOF	splash10-0159-0109600000-6cc3f19f86b72cbf32ac	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagitrin 20V, Positive-QTOF	splash10-014i-0239100000-83c4f241fdd3c963fa2e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagitrin 40V, Positive-QTOF	splash10-0v4l-1923000000-aa68f2d73704428fe093	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagitrin 10V, Negative-QTOF	splash10-00or-1305900000-cf15d8effb955f17f782	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagitrin 20V, Negative-QTOF	splash10-014i-1339200000-13d3dd02cefb8a324ac0	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagitrin 40V, Negative-QTOF	splash10-0aou-7895000000-18dbfb21199b33f3713d	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagitrin 10V, Positive-QTOF	splash10-0159-0009400000-9f1a96b555e0215364f9	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagitrin 20V, Positive-QTOF	splash10-014i-0009100000-528242bb9c9fa93f4467	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagitrin 40V, Positive-QTOF	splash10-014i-0009000000-9dd1047022f2116af963	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagitrin 10V, Negative-QTOF	splash10-004i-0000900000-7f75d3803c900003859b	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagitrin 20V, Negative-QTOF	splash10-00or-0005900000-27fa0c9dd448655b48fa	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetagitrin 40V, Negative-QTOF	splash10-014i-0009100000-96662b1f29dcb2fc6411	2021-09-25	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

FDB002522

KNApSAcK ID

C00005633

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

12314844

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1699121

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.. .

Enzymes

Enzyme Details

1. Catechol O-methyltransferase

General function:: Involved in magnesium ion binding
Specific function:: Catalyzes the O-methylation, and thereby the inactivation, of catecholamine neurotransmitters and catechol hormones. Also shortens the biological half-lives of certain neuroactive drugs, like L-DOPA, alpha-methyl DOPA and isoproterenol.
Gene Name:: COMT
Uniprot ID:: P21964
Molecular weight:: 30036.77

Reactions

Quercetagitrin → Quercetagetin 3'-methylether 7-glucoside	details

Enzyme Details

2. UDP-glucuronosyltransferase 1-1

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:: UGT1A1
Uniprot ID:: P22309
Molecular weight:: 59590.91

Reactions

Quercetagitrin → 3,4,5-trihydroxy-6-[2-hydroxy-4-(3,5,6-trihydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid	details
Quercetagitrin → 3,4,5-trihydroxy-6-[2-hydroxy-5-(3,5,6-trihydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid	details
Quercetagitrin → 6-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	details
Quercetagitrin → 6-{[2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	details
Quercetagitrin → 6-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	details

Enzyme Details

3. Sulfotransferase 1A3

General function:: sulfotransferase activity
Specific function:: Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfate conjugation of phenolic monoamines (neurotransmitters such as dopamine, norepinephrine and serotonin) and phenolic and catechol drugs.
Gene Name:: SULT1A3
Uniprot ID:: P0DMM9
Molecular weight:: 34195.96

Reactions

Quercetagitrin → [2-hydroxy-5-(3,5,6-trihydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-2-yl)phenyl]oxidanesulfonic acid	details

Showing metabocard for Quercetagitrin (HMDB0030624)

MOL for HMDB0030624 (Quercetagitrin)

3D MOL for HMDB0030624 (Quercetagitrin)

3D SDF for HMDB0030624 (Quercetagitrin)

3D-SDF for HMDB0030624 (Quercetagitrin)

PDB for HMDB0030624 (Quercetagitrin)

3D PDB for HMDB0030624 (Quercetagitrin)

SMILES for HMDB0030624 (Quercetagitrin)

INCHI for HMDB0030624 (Quercetagitrin)

Structure for HMDB0030624 (Quercetagitrin)

3D Structure for HMDB0030624 (Quercetagitrin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

Enzymes

Reactions

Reactions

Reactions