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Showing metabocard for Quercetin-4'-glucuronide (HMDB0029214)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (6) Show 6 proteinsXML
enzymes (6) Show 6 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-08 14:59:59 UTC
Update Date2022-03-07 03:03:51 UTC
HMDB IDHMDB0029214
Secondary Accession Numbers
  • HMDB0033668
  • HMDB29214
  • HMDB33668
Metabolite Identification
Common NameQuercetin-4'-glucuronide
DescriptionQuercetin-4'-glucuronide belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid. Quercetin-4'-glucuronide has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make quercetin-4'-glucuronide a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Quercetin-4'-glucuronide.
Structure
Data?1582753388
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0029214 (Quercetin-4'-glucuronide)


  Mrv1652303262014182D          

 34 37  0  0  0  0            999 V2000
   -3.7478    0.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4623    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4623   -0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7478   -0.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0334   -0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0334    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3189    0.6882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3189   -0.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6044   -0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6044    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5390    0.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1755    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8900    0.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8900    1.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1755    1.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5390    1.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3189   -1.7868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7478   -1.7868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1768    0.6882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8900   -0.9618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2534    1.9257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9679    1.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6824    1.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3969    1.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9679    0.6882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6824    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3969    0.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1113    1.9257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1113    0.2757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6824   -0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6824    2.7507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3969   -0.9618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9679   -0.9618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1755    2.7507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  7  6  1  0  0  0  0
  6  5  1  0  0  0  0
  5  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 10 13  1  0  0  0  0
  8 17  2  0  0  0  0
  4 18  1  0  0  0  0
  2 19  1  0  0  0  0
  9 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 24  1  0  0  0  0
 24 28  1  0  0  0  0
 27 29  1  0  0  0  0
 26 30  1  0  0  0  0
 23 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  2  0  0  0  0
 16 21  1  0  0  0  0
 15 34  1  0  0  0  0
M  END
Download

3D MOL for HMDB0029214 (Quercetin-4'-glucuronide)

HMDB0029214
     RDKit          3D
Quercetin-4'-glucuronide
 52 55  0  0  0  0  0  0  0  0999 V2000
   -6.8175    1.2874   -2.7380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0153    1.5713   -1.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9663    2.8862   -1.3984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1442    0.5688   -1.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3960    1.1811   -0.1855 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6134    0.3054    0.5639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5508   -0.2307   -0.1599 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2017   -0.0693    0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6748    0.6615    1.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7097    0.7879    1.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6102    0.1893    0.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0537    0.2626    0.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8072   -0.3665   -0.2163 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1017   -0.3932   -0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7809   -1.0960   -1.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1528   -1.1477   -1.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8153   -1.8631   -2.2271 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8675   -0.4805   -0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2059    0.2484    0.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9649    0.8882    1.6420 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292    0.2805    0.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1156    0.9678    1.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6710    1.6065    2.5986 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7085    0.9504    1.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0531    1.6532    2.6038 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0865   -0.5575   -0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2561   -0.6803   -0.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7656   -1.4308   -1.7953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4623   -0.7744    1.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1494   -2.0039    0.6193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9127   -0.5027    0.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3160    0.7500    1.3899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0491   -0.5172   -0.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6676   -1.7797   -1.0294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3053    3.2197   -0.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5418    0.0972   -1.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2229    0.9070    1.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3237    1.1668    1.8149 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0135    1.3801    2.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2197   -1.6206   -1.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0737   -2.8304   -2.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9395   -0.5077   -0.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7436    1.4303    2.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5132    2.1527    3.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879   -1.0519   -1.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1248   -1.8886   -2.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3412   -0.8165    2.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1981   -1.9728    0.3484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5588   -1.2639    1.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4771    0.7112    2.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1097   -0.3612   -0.8449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6627   -1.9041   -1.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 11 26  1  0
 26 27  2  0
 27 28  1  0
  6 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33  4  1  0
 27  8  1  0
 24 12  2  0
 21 14  1  0
  3 35  1  0
  4 36  1  0
  6 37  1  0
  9 38  1  0
 10 39  1  0
 15 40  1  0
 17 41  1  0
 18 42  1  0
 20 43  1  0
 25 44  1  0
 26 45  1  0
 28 46  1  0
 29 47  1  0
 30 48  1  0
 31 49  1  0
 32 50  1  0
 33 51  1  0
 34 52  1  0
M  END
Download

3D SDF for HMDB0029214 (Quercetin-4'-glucuronide)


  Mrv1652303262014182D          

 34 37  0  0  0  0            999 V2000
   -3.7478    0.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4623    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4623   -0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7478   -0.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0334   -0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0334    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3189    0.6882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3189   -0.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6044   -0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6044    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5390    0.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1755    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8900    0.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8900    1.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1755    1.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5390    1.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3189   -1.7868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7478   -1.7868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1768    0.6882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8900   -0.9618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2534    1.9257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9679    1.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6824    1.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3969    1.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9679    0.6882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6824    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3969    0.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1113    1.9257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1113    0.2757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6824   -0.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6824    2.7507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3969   -0.9618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9679   -0.9618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1755    2.7507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  7  6  1  0  0  0  0
  6  5  1  0  0  0  0
  5  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 10 13  1  0  0  0  0
  8 17  2  0  0  0  0
  4 18  1  0  0  0  0
  2 19  1  0  0  0  0
  9 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 24  1  0  0  0  0
 24 28  1  0  0  0  0
 27 29  1  0  0  0  0
 26 30  1  0  0  0  0
 23 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  2  0  0  0  0
 16 21  1  0  0  0  0
 15 34  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029214

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1C(O)C(OC2=CC=C(C=C2O)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)OC(C1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-10(8(23)3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)

> <INCHI_KEY>
OUQZCILJSVDJFB-UHFFFAOYSA-N

> <FORMULA>
C21H18O13

> <MOLECULAR_WEIGHT>
478.3598

> <EXACT_MASS>
478.074740662

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
44.07509397662902

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3,4,5-trihydroxy-6-[2-hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid

> <ALOGPS_LOGP>
1.05

> <JCHEM_LOGP>
0.20850590866666624

> <ALOGPS_LOGS>
-2.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.381534606816741

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.9724194471097167

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7319986699562913

> <JCHEM_POLAR_SURFACE_AREA>
223.67

> <JCHEM_REFRACTIVITY>
108.87399999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.63e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,4,5-trihydroxy-6-[2-hydroxy-4-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0029214 (Quercetin-4'-glucuronide)

HMDB0029214
     RDKit          3D
Quercetin-4'-glucuronide
 52 55  0  0  0  0  0  0  0  0999 V2000
   -6.8175    1.2874   -2.7380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0153    1.5713   -1.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9663    2.8862   -1.3984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1442    0.5688   -1.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3960    1.1811   -0.1855 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6134    0.3054    0.5639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5508   -0.2307   -0.1599 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2017   -0.0693    0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6748    0.6615    1.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7097    0.7879    1.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6102    0.1893    0.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0537    0.2626    0.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8072   -0.3665   -0.2163 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1017   -0.3932   -0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7809   -1.0960   -1.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1528   -1.1477   -1.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8153   -1.8631   -2.2271 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8675   -0.4805   -0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2059    0.2484    0.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9649    0.8882    1.6420 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292    0.2805    0.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1156    0.9678    1.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6710    1.6065    2.5986 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7085    0.9504    1.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0531    1.6532    2.6038 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0865   -0.5575   -0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2561   -0.6803   -0.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7656   -1.4308   -1.7953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4623   -0.7744    1.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1494   -2.0039    0.6193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9127   -0.5027    0.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3160    0.7500    1.3899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0491   -0.5172   -0.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6676   -1.7797   -1.0294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3053    3.2197   -0.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5418    0.0972   -1.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2229    0.9070    1.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3237    1.1668    1.8149 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0135    1.3801    2.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2197   -1.6206   -1.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0737   -2.8304   -2.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9395   -0.5077   -0.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7436    1.4303    2.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5132    2.1527    3.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879   -1.0519   -1.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1248   -1.8886   -2.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3412   -0.8165    2.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1981   -1.9728    0.3484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5588   -1.2639    1.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4771    0.7112    2.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1097   -0.3612   -0.8449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6627   -1.9041   -1.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 11 26  1  0
 26 27  2  0
 27 28  1  0
  6 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33  4  1  0
 27  8  1  0
 24 12  2  0
 21 14  1  0
  3 35  1  0
  4 36  1  0
  6 37  1  0
  9 38  1  0
 10 39  1  0
 15 40  1  0
 17 41  1  0
 18 42  1  0
 20 43  1  0
 25 44  1  0
 26 45  1  0
 28 46  1  0
 29 47  1  0
 30 48  1  0
 31 49  1  0
 32 50  1  0
 33 51  1  0
 34 52  1  0
M  END
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PDB for HMDB0029214 (Quercetin-4'-glucuronide)

HEADER    PROTEIN                                 26-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAR-20         0                                  
HETATM    1  C   UNK     0      -6.996   1.285   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -8.330   0.515   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.330  -1.025   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.996  -1.795   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.662  -1.025   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.662   0.515   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -4.329   1.285   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -4.329  -1.795   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.995  -1.025   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.995   0.515   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.006   1.285   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.328   0.515   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.661   1.285   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.661   2.825   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.328   3.595   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.006   2.825   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -4.329  -3.335   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -6.996  -3.335   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -9.663   1.285   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -1.661  -1.795   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       2.340   3.595   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       3.673   2.825   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.007   3.595   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.341   2.825   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       3.673   1.285   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       5.007   0.515   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.341   1.285   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       7.674   3.595   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       7.674   0.515   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       5.007  -1.025   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       5.007   5.135   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       6.341  -1.795   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       3.673  -1.795   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -0.328   5.135   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   19                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   18                                                  
CONECT    5    4    6    8                                                  
CONECT    6    1    7    5                                                  
CONECT    7    6   10                                                       
CONECT    8    5    9   17                                                  
CONECT    9    8   10   20                                                  
CONECT   10    7    9   13                                                  
CONECT   11   12   16                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   10                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   34                                                  
CONECT   16   11   15   21                                                  
CONECT   17    8                                                            
CONECT   18    4                                                            
CONECT   19    2                                                            
CONECT   20    9                                                            
CONECT   21   22   16                                                       
CONECT   22   21   23   25                                                  
CONECT   23   22   24   31                                                  
CONECT   24   23   27   28                                                  
CONECT   25   22   26                                                       
CONECT   26   25   27   30                                                  
CONECT   27   26   24   29                                                  
CONECT   28   24                                                            
CONECT   29   27                                                            
CONECT   30   26   32   33                                                  
CONECT   31   23                                                            
CONECT   32   30                                                            
CONECT   33   30                                                            
CONECT   34   15                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END
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3D PDB for HMDB0029214 (Quercetin-4'-glucuronide)

COMPND    HMDB0029214
HETATM    1  O1  UNL     1      -6.817   1.287  -2.738  1.00  0.00           O  
HETATM    2  C1  UNL     1      -6.015   1.571  -1.806  1.00  0.00           C  
HETATM    3  O2  UNL     1      -5.966   2.886  -1.398  1.00  0.00           O  
HETATM    4  C2  UNL     1      -5.144   0.569  -1.149  1.00  0.00           C  
HETATM    5  O3  UNL     1      -4.396   1.181  -0.185  1.00  0.00           O  
HETATM    6  C3  UNL     1      -3.613   0.305   0.564  1.00  0.00           C  
HETATM    7  O4  UNL     1      -2.551  -0.231  -0.160  1.00  0.00           O  
HETATM    8  C4  UNL     1      -1.202  -0.069   0.094  1.00  0.00           C  
HETATM    9  C5  UNL     1      -0.675   0.661   1.124  1.00  0.00           C  
HETATM   10  C6  UNL     1       0.710   0.788   1.330  1.00  0.00           C  
HETATM   11  C7  UNL     1       1.610   0.189   0.515  1.00  0.00           C  
HETATM   12  C8  UNL     1       3.054   0.263   0.650  1.00  0.00           C  
HETATM   13  O5  UNL     1       3.807  -0.367  -0.216  1.00  0.00           O  
HETATM   14  C9  UNL     1       5.102  -0.393  -0.224  1.00  0.00           C  
HETATM   15  C10 UNL     1       5.781  -1.096  -1.196  1.00  0.00           C  
HETATM   16  C11 UNL     1       7.153  -1.148  -1.237  1.00  0.00           C  
HETATM   17  O6  UNL     1       7.815  -1.863  -2.227  1.00  0.00           O  
HETATM   18  C12 UNL     1       7.867  -0.481  -0.283  1.00  0.00           C  
HETATM   19  C13 UNL     1       7.206   0.248   0.726  1.00  0.00           C  
HETATM   20  O7  UNL     1       7.965   0.888   1.642  1.00  0.00           O  
HETATM   21  C14 UNL     1       5.829   0.281   0.739  1.00  0.00           C  
HETATM   22  C15 UNL     1       5.116   0.968   1.688  1.00  0.00           C  
HETATM   23  O8  UNL     1       5.671   1.607   2.599  1.00  0.00           O  
HETATM   24  C16 UNL     1       3.708   0.950   1.632  1.00  0.00           C  
HETATM   25  O9  UNL     1       3.053   1.653   2.604  1.00  0.00           O  
HETATM   26  C17 UNL     1       1.086  -0.558  -0.538  1.00  0.00           C  
HETATM   27  C18 UNL     1      -0.256  -0.680  -0.738  1.00  0.00           C  
HETATM   28  O10 UNL     1      -0.766  -1.431  -1.795  1.00  0.00           O  
HETATM   29  C19 UNL     1      -4.462  -0.774   1.214  1.00  0.00           C  
HETATM   30  O11 UNL     1      -4.149  -2.004   0.619  1.00  0.00           O  
HETATM   31  C20 UNL     1      -5.913  -0.503   0.915  1.00  0.00           C  
HETATM   32  O12 UNL     1      -6.316   0.750   1.390  1.00  0.00           O  
HETATM   33  C21 UNL     1      -6.049  -0.517  -0.609  1.00  0.00           C  
HETATM   34  O13 UNL     1      -5.668  -1.780  -1.029  1.00  0.00           O  
HETATM   35  H1  UNL     1      -6.305   3.220  -0.508  1.00  0.00           H  
HETATM   36  H2  UNL     1      -4.542   0.097  -1.957  1.00  0.00           H  
HETATM   37  H3  UNL     1      -3.223   0.907   1.402  1.00  0.00           H  
HETATM   38  H4  UNL     1      -1.324   1.167   1.815  1.00  0.00           H  
HETATM   39  H5  UNL     1       1.014   1.380   2.162  1.00  0.00           H  
HETATM   40  H6  UNL     1       5.220  -1.621  -1.946  1.00  0.00           H  
HETATM   41  H7  UNL     1       8.074  -2.830  -2.149  1.00  0.00           H  
HETATM   42  H8  UNL     1       8.939  -0.508  -0.297  1.00  0.00           H  
HETATM   43  H9  UNL     1       7.744   1.430   2.398  1.00  0.00           H  
HETATM   44  H10 UNL     1       3.513   2.153   3.319  1.00  0.00           H  
HETATM   45  H11 UNL     1       1.788  -1.052  -1.212  1.00  0.00           H  
HETATM   46  H12 UNL     1      -0.125  -1.889  -2.420  1.00  0.00           H  
HETATM   47  H13 UNL     1      -4.341  -0.817   2.315  1.00  0.00           H  
HETATM   48  H14 UNL     1      -3.198  -1.973   0.348  1.00  0.00           H  
HETATM   49  H15 UNL     1      -6.559  -1.264   1.378  1.00  0.00           H  
HETATM   50  H16 UNL     1      -6.477   0.711   2.366  1.00  0.00           H  
HETATM   51  H17 UNL     1      -7.110  -0.361  -0.845  1.00  0.00           H  
HETATM   52  H18 UNL     1      -5.663  -1.904  -1.999  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   35
CONECT    4    5   33   36
CONECT    5    6
CONECT    6    7   29   37
CONECT    7    8
CONECT    8    9    9   27
CONECT    9   10   38
CONECT   10   11   11   39
CONECT   11   12   26
CONECT   12   13   24   24
CONECT   13   14
CONECT   14   15   15   21
CONECT   15   16   40
CONECT   16   17   18   18
CONECT   17   41
CONECT   18   19   42
CONECT   19   20   21   21
CONECT   20   43
CONECT   21   22
CONECT   22   23   23   24
CONECT   24   25
CONECT   25   44
CONECT   26   27   27   45
CONECT   27   28
CONECT   28   46
CONECT   29   30   31   47
CONECT   30   48
CONECT   31   32   33   49
CONECT   32   50
CONECT   33   34   51
CONECT   34   52
END
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SMILES for HMDB0029214 (Quercetin-4'-glucuronide)

OC1C(O)C(OC2=CC=C(C=C2O)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)OC(C1O)C(O)=O
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INCHI for HMDB0029214 (Quercetin-4'-glucuronide)

InChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-10(8(23)3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
2-Hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl beta-D-glucopyranosiduronic acidHMDB
Quercetin 4'-glucuronideHMDB
Quercetin 4'-O-glucuronideHMDB
3,4,5-Trihydroxy-6-[2-hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]oxane-2-carboxylateHMDB
Chemical FormulaC21H18O13
Average Molecular Weight478.3598
Monoisotopic Molecular Weight478.074740662
IUPAC Name3,4,5-trihydroxy-6-[2-hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid
Traditional Name3,4,5-trihydroxy-6-[2-hydroxy-4-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid
CAS Registry Number201463-36-7
SMILES
OC1C(O)C(OC2=CC=C(C=C2O)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)OC(C1O)C(O)=O
InChI Identifier
InChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-10(8(23)3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)
InChI KeyOUQZCILJSVDJFB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid O-glucuronides
Alternative Parents
Substituents
  • Flavonoid-4p-o-glucuronide
  • 3-hydroxyflavone
  • 3'-hydroxyflavonoid
  • 3-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Flavone
  • Hydroxyflavonoid
  • Phenolic glycoside
  • 1-o-glucuronide
  • O-glucuronide
  • Glucuronic acid or derivatives
  • Chromone
  • Glycosyl compound
  • O-glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • Phenol ether
  • Phenoxy compound
  • Phenol
  • Pyranone
  • 1-hydroxy-2-unsubstituted benzenoid
  • Beta-hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • Oxane
  • Monocyclic benzene moiety
  • Pyran
  • Hydroxy acid
  • Benzenoid
  • Monosaccharide
  • Vinylogous acid
  • Heteroaromatic compound
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Acetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Alcohol
  • Organooxygen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxygen compound
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.63 g/LALOGPS
logP1.05ALOGPS
logP0.21ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)2.97ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count13ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area223.67 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity108.87 m³·mol⁻¹ChemAxon
Polarizability44.08 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+205.0830932474
DeepCCS[M-H]-202.68430932474
DeepCCS[M-2H]-235.56830932474
DeepCCS[M+Na]+210.99330932474
AllCCS[M+H]+206.432859911
AllCCS[M+H-H2O]+204.232859911
AllCCS[M+NH4]+208.432859911
AllCCS[M+Na]+209.032859911
AllCCS[M-H]-202.832859911
AllCCS[M+Na-2H]-203.332859911
AllCCS[M+HCOO]-204.032859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.4.32 minutes32390414
Predicted by Siyang on May 30, 202211.5689 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20226.6 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid161.2 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1768.8 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid203.2 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid81.0 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid154.4 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid86.0 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid378.9 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid345.8 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)646.5 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid644.9 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid359.6 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1413.3 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid250.0 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid266.3 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate544.0 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA333.6 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water355.2 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Quercetin-4'-glucuronideOC1C(O)C(OC2=CC=C(C=C2O)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)OC(C1O)C(O)=O5957.8Standard polar33892256
Quercetin-4'-glucuronideOC1C(O)C(OC2=CC=C(C=C2O)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)OC(C1O)C(O)=O4298.8Standard non polar33892256
Quercetin-4'-glucuronideOC1C(O)C(OC2=CC=C(C=C2O)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)OC(C1O)C(O)=O4577.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Quercetin-4'-glucuronide,1TMS,isomer #1C[Si](C)(C)OC1C(O)C(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)OC(C(=O)O)C1O4571.1Semi standard non polar33892256
Quercetin-4'-glucuronide,1TMS,isomer #2C[Si](C)(C)OC1C(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)OC(C(=O)O)C(O)C1O4573.0Semi standard non polar33892256
Quercetin-4'-glucuronide,1TMS,isomer #3C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O4539.5Semi standard non polar33892256
Quercetin-4'-glucuronide,1TMS,isomer #4C[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(O)=C2)OC2=CC(O)=CC(O)=C2C1=O4486.9Semi standard non polar33892256
Quercetin-4'-glucuronide,1TMS,isomer #5C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)=C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(O)=C1)O24564.0Semi standard non polar33892256
Quercetin-4'-glucuronide,1TMS,isomer #6C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=C3)OC2=C14637.5Semi standard non polar33892256
Quercetin-4'-glucuronide,1TMS,isomer #7C[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O)C1O4556.6Semi standard non polar33892256
Quercetin-4'-glucuronide,1TMS,isomer #8C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O)C(O)C1O4550.1Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #1C[Si](C)(C)OC1C(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)OC(C(=O)O)C(O)C1O[Si](C)(C)C4464.1Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #10C[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(O)=C2)OC2=CC(O)=CC(O)=C2C1=O4401.4Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #11C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C4427.8Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #12C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O)C1O4457.0Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #13C[Si](C)(C)OC1C(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)OC(C(=O)O)C(O[Si](C)(C)C)C1O4442.3Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #14C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O[Si](C)(C)C)=C3)OC2=C14465.0Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #15C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O4423.4Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #16C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O4380.6Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #17C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O)C1O4416.5Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #18C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O4400.8Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #19C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O)C(O)C1O4397.1Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #2C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C(O)=C3)OC2=C14450.6Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #20C[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(O)=C2)OC2=CC(O)=CC(O)=C2C1=O4377.7Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #21C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=C3)OC2=C14424.4Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #22C[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(O)=C2)OC2=CC(O)=CC(O[Si](C)(C)C)=C2C1=O4391.7Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #23C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=C3)OC2=C14451.3Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #24C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O)C(O)C(O)C1O4431.6Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #25C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)=C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(O)=C1)O24409.7Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #26C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C(O)C1O4482.6Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #27C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C(O)=C3)OC2=C14452.9Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #28C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O)C(O)C1O[Si](C)(C)C4449.2Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #3C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)=C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(O)=C1)O24402.6Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #4C[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(O)=C2)OC2=CC(O)=CC(O)=C2C1=O4371.0Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #5C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O4407.0Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #6C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C)C1O4457.6Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #7C[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O)C1O[Si](C)(C)C4435.5Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #8C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C(O)=C3)OC2=C14478.7Semi standard non polar33892256
Quercetin-4'-glucuronide,2TMS,isomer #9C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)=C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(O)=C1)O24436.3Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #1C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)=C3)OC2=C14393.1Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #10C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)=C3)OC2=C14346.6Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #11C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)=C3)OC2=C14312.3Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #12C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C)C1O4292.4Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #13C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)=C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)=C1)O24299.8Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #14C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O4257.4Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #15C[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(O)=C2)OC2=CC(O)=CC(O[Si](C)(C)C)=C2C1=O4225.3Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #16C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C)C1O4266.3Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #17C[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)=C2)OC2=CC(O)=CC(O)=C2C1=O4277.0Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #18C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O4253.4Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #19C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4305.9Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #2C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)=C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)=C1)O24341.9Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #20C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4310.4Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #21C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4378.0Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #22C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C(O)=C3)OC2=C14327.9Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #23C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C(O)=C3)OC2=C14305.6Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #24C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O)C1O4382.2Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #25C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)=C3)OC2=C14365.7Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #26C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14355.1Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #27C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O)C1O4337.1Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #28C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)=C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)=C1)O24317.1Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #29C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C4297.7Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #3C[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)=C2)OC2=CC(O)=CC(O)=C2C1=O4305.1Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #30C[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(O)=C2)OC2=CC(O)=CC(O[Si](C)(C)C)=C2C1=O4269.8Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #31C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O)C1O4306.8Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #32C[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)=C2)OC2=CC(O)=CC(O)=C2C1=O4297.5Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #33C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C4280.0Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #34C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4339.5Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #35C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4328.3Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #36C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4386.1Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #37C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O[Si](C)(C)C)=C3)OC2=C14295.1Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #38C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O[Si](C)(C)C)=C3)OC2=C14293.5Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #39C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O)C1O4332.9Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #4C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4353.3Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #40C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)=C3)OC2=C14331.9Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #41C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O4256.3Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #42C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O)C1O4285.3Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #43C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O4274.2Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #44C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O)C1O4250.9Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #45C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O4262.8Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #46C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4327.5Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #47C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C(O)C1O4292.4Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #48C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O)C(O)C(O)C1O4259.4Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #49C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O)C(O)C1O[Si](C)(C)C4299.9Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #5C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4400.7Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #50C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C(O)=C3)OC2=C14285.2Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #51C[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(O)=C2)OC2=CC(O)=CC(O[Si](C)(C)C)=C2C1=O4248.7Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #52C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=C3)OC2=C14259.3Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #53C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C(O)C1O4312.4Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #54C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C(O)=C3)OC2=C14290.3Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #55C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O)C(O)C(O)C1O[Si](C)(C)C4326.6Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #56C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C(O)C1O[Si](C)(C)C4370.3Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #6C[Si](C)(C)OC1C(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4408.7Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #7C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C(O)=C3)OC2=C14278.8Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #8C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C(O)=C3)OC2=C14255.3Semi standard non polar33892256
Quercetin-4'-glucuronide,3TMS,isomer #9C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C)C1O4339.8Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #1C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)=C3)OC2=C14231.4Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #10C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4250.1Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #11C[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)=C2)OC2=CC(O)=CC(O)=C2C1=O4258.9Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #12C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4227.7Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #13C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4289.2Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #14C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4294.9Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #15C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4357.5Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #16C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C(O)=C3)OC2=C14151.4Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #17C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C)C1O4217.9Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #18C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)=C3)OC2=C14191.3Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #19C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)=C3)OC2=C14174.4Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #2C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)=C3)OC2=C14220.8Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #20C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C)C1O4170.8Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #21C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)=C3)OC2=C14188.7Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #22C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)=C3)OC2=C14166.1Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #23C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4217.6Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #24C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4281.2Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #25C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)=C3)OC2=C14228.2Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #26C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C)C1O4140.4Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #27C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4172.7Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #28C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4246.1Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #29C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4183.7Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #3C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4300.3Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #30C[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)=C2)OC2=CC(O)=CC(O[Si](C)(C)C)=C2C1=O4159.4Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #31C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O4134.8Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #32C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4176.5Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #33C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4234.2Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #34C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4202.9Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #35C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4275.8Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #36C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C(O)=C3)OC2=C14191.0Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #37C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O)C1O4254.2Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #38C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)=C3)OC2=C14216.3Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #39C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14213.1Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #4C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)=C3)OC2=C14308.8Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #40C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O)C1O4239.0Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #41C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)=C3)OC2=C14213.9Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #42C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14222.1Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #43C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4284.6Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #44C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4310.3Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #45C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14254.3Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #46C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O)C1O4205.2Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #47C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4242.3Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #48C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4278.1Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #49C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4209.9Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #5C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14261.0Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #50C[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)=C2)OC2=CC(O)=CC(O[Si](C)(C)C)=C2C1=O4185.3Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #51C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C4185.7Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #52C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4233.6Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #53C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4274.4Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #54C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4223.4Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #55C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4299.0Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #56C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O[Si](C)(C)C)=C3)OC2=C14169.9Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #57C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O)C1O4205.7Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #58C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)=C3)OC2=C14187.2Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #59C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O)C1O4191.0Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #6C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4265.1Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #60C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)=C3)OC2=C14198.9Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #61C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4275.7Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #62C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O)C1O4150.0Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #63C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O4162.3Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #64C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4234.8Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #65C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4229.8Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #66C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C(O)C1O4166.1Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #67C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C(O)C1O[Si](C)(C)C4230.3Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #68C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O)C(O)C(O)C1O[Si](C)(C)C4202.0Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #69C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C(O)=C3)OC2=C14163.1Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #7C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)=C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)=C1)O24269.6Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #70C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C(O)C1O[Si](C)(C)C4240.0Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #8C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4214.9Semi standard non polar33892256
Quercetin-4'-glucuronide,4TMS,isomer #9C[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)=C2)OC2=CC(O)=CC(O[Si](C)(C)C)=C2C1=O4189.1Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #1C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)=C3)OC2=C14128.9Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #10C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14223.9Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #11C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4137.8Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #12C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4178.3Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #13C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4238.6Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #14C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4189.2Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #15C[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)=C2)OC2=CC(O)=CC(O[Si](C)(C)C)=C2C1=O4151.8Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #16C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4135.9Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #17C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4178.2Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #18C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4233.6Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #19C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4211.9Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #2C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4179.4Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #20C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4275.2Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #21C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C)C1O4108.6Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #22C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)=C3)OC2=C14107.1Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #23C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)=C3)OC2=C14097.4Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #24C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4123.1Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #25C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4168.0Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #26C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)=C3)OC2=C14138.7Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #27C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4107.8Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #28C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4156.3Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #29C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)=C3)OC2=C14135.3Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #3C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)=C3)OC2=C14184.4Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #30C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4204.8Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #31C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4063.7Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #32C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4130.1Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #33C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4169.9Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #34C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4105.0Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #35C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4174.6Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #36C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O)C1O4130.7Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #37C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)=C3)OC2=C14131.4Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #38C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14136.5Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #39C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)C=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4174.9Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #4C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14163.8Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #40C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4203.3Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #41C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14164.4Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #42C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4172.5Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #43C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4193.9Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #44C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14166.4Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #45C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4233.9Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #46C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4129.5Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #47C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4170.4Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #48C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4201.4Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #49C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4139.4Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #5C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4170.5Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #50C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4213.3Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #51C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O)C1O4083.9Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #52C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)=C3)OC2=C14107.3Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #53C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4167.7Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #54C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4164.5Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #55C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4125.1Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #56C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C)C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C(O)C1O[Si](C)(C)C4132.1Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #6C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)=C3)OC2=C14177.0Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #7C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14165.0Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #8C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4216.6Semi standard non polar33892256
Quercetin-4'-glucuronide,5TMS,isomer #9C[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4264.6Semi standard non polar33892256
Quercetin-4'-glucuronide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(O)C(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)OC(C(=O)O)C1O4869.1Semi standard non polar33892256
Quercetin-4'-glucuronide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)OC(C(=O)O)C(O)C1O4872.0Semi standard non polar33892256
Quercetin-4'-glucuronide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O4800.9Semi standard non polar33892256
Quercetin-4'-glucuronide,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(O)=C2)OC2=CC(O)=CC(O)=C2C1=O4796.1Semi standard non polar33892256
Quercetin-4'-glucuronide,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)=C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(O)=C1)O24816.1Semi standard non polar33892256
Quercetin-4'-glucuronide,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=C3)OC2=C14850.8Semi standard non polar33892256
Quercetin-4'-glucuronide,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O)C1O4856.5Semi standard non polar33892256
Quercetin-4'-glucuronide,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O)C(O)C1O4832.9Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)OC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C4969.3Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)=C2)OC2=CC(O)=CC(O)=C2C1=O4880.0Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4894.5Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4946.5Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O4950.9Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14897.0Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O4853.0Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O4841.2Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4892.8Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4865.1Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C(C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O)C(O)C1O4886.3Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)=C3)OC2=C14934.6Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)=C2)OC2=CC(O)=CC(O)=C2C1=O4851.9Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=C3)OC2=C14878.9Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(O)=C2)OC2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O4843.0Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=C3)OC2=C14914.9Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C4O3)C=C2O)C(O)C(O)C1O4911.8Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)=C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)=C1)O24868.9Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C4O3)C=C2O)C(O)C(O)C1O4954.5Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)=C3)OC2=C14916.1Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4937.1Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)=C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)=C1)O24876.4Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)=C2)OC2=CC(O)=CC(O)=C2C1=O4858.8Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4866.0Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4940.4Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O)C1O[Si](C)(C)C(C)(C)C4926.0Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C14946.9Semi standard non polar33892256
Quercetin-4'-glucuronide,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)=C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)=C1)O24900.5Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C15021.2Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)=C3)OC2=C14990.3Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14977.8Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4991.6Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)=C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)=C1)O24934.6Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4924.0Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)=C2)OC2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O4893.9Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C(C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4942.1Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)=C2)OC2=CC(O)=CC(O)=C2C1=O4882.8Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4879.2Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4969.3Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)=C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)=C1)O24967.0Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4918.5Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5005.2Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C15008.3Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C14939.9Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C4O3)C=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5044.0Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C15010.1Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14991.8Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C4O3)C=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4994.6Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)=C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)=C1)O24958.5Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4941.2Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)=C2)OC2=CC(O)=CC(O)=C2C1=O4916.7Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)=C2)OC2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O4900.0Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C(C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4957.6Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)=C2)OC2=CC(O)=CC(O)=C2C1=O4915.5Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4897.1Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4981.0Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4945.7Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #36CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C5043.3Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #37CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14989.8Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #38CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14925.3Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #39CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C4O3)C=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5005.2Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4952.5Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #40CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14959.1Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #41CC(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=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O4878.0Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #42CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C4O3)C=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4953.5Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #43CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4908.7Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #44CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C(C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4917.0Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #45CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4869.9Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #46CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4967.7Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #47CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C(C)(C)C)C(=O)C4=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C4O3)C=C2O)C(O)C(O)C1O4974.6Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #48CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C(C)(C)C)C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C4O3)C=C2O)C(O)C(O)C1O4930.4Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #49CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O[Si](C)(C)C(C)(C)C)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4948.1Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O5027.2Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #50CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)=C3)OC2=C14910.5Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #51CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)=C2)OC2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O4872.7Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #52CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O)C4O)C(O)=C3)OC2=C14950.4Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #53CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C4O3)C=C2O)C(O)C(O)C1O5034.5Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #54CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)=C3)OC2=C14976.7Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #55CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C4O3)C=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4980.1Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #56CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C4O3)C=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5027.2Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C=C2O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4990.1Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(O)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)=C3)OC2=C15024.0Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)=C3)OC2=C14927.8Semi standard non polar33892256
Quercetin-4'-glucuronide,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC=C(C3=C(O)C(=O)C4=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5040.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin-4'-glucuronide GC-MS (Non-derivatized) - 70eV, Positivesplash10-0bt9-9107300000-7d63fc0eeb1412feb5a92017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin-4'-glucuronide GC-MS (3 TMS) - 70eV, Positivesplash10-0059-3365029000-aabd20466929c11011bb2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin-4'-glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin-4'-glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-4'-glucuronide 10V, Positive-QTOFsplash10-0w4i-0117900000-62b27d6da078aec6b6152017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-4'-glucuronide 20V, Positive-QTOFsplash10-0udi-0249100000-dc95a565d440a779770c2017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-4'-glucuronide 40V, Positive-QTOFsplash10-0k9i-2942000000-f9bdc2a15871c05ac37a2017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-4'-glucuronide 10V, Negative-QTOFsplash10-0fb9-0104900000-72745aae4e41e2f84e982017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-4'-glucuronide 20V, Negative-QTOFsplash10-0udi-2229400000-04f0fed8bdd2f8fc962e2017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-4'-glucuronide 40V, Negative-QTOFsplash10-0udi-5966000000-ee0e73ce66484cdecbb52017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-4'-glucuronide 10V, Negative-QTOFsplash10-004i-0000900000-ccb1d2612c30e5d3fe932021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-4'-glucuronide 20V, Negative-QTOFsplash10-004i-0510900000-f6197fa55e8da1db8a0a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-4'-glucuronide 40V, Negative-QTOFsplash10-0uy0-2953300000-f35820601cb70c0b229d2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-4'-glucuronide 10V, Positive-QTOFsplash10-004i-0000900000-5bca03d6e246fbc6912f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-4'-glucuronide 20V, Positive-QTOFsplash10-004i-0000900000-c2ac40badcd40eabda6c2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-4'-glucuronide 40V, Positive-QTOFsplash10-0v00-2910200000-54af6aadfd5a5e7f79022021-09-22Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 821 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 821 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 821 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 821 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB031403
KNApSAcK IDC00013836
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound57331045
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Enzymes

Enzyme Details
1. UDP-glucuronosyltransferase 2B4
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme is active on polyhydroxylated estrogens (such as estriol, 4-hydroxyestrone and 2-hydroxyestriol) and xenobiotics (such as 4-methylumbelliferone, 1-naphthol, 4-nitrophenol, 2-aminophenol, 4-hydroxybiphenyl and menthol). It is capable of 6 alpha-hydroxyglucuronidation of hyodeoxycholic acid.
Gene Name:
UGT2B4
Uniprot ID:
P06133
Molecular weight:
60512.035
Enzyme Details
2. UDP-glucuronosyltransferase 1-4
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.
Gene Name:
UGT1A4
Uniprot ID:
P22310
Molecular weight:
60024.535
Enzyme Details
3. UDP-glucuronosyltransferase 2B7
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. Its unique specificity for 3,4-catechol estrogens and estriol suggests it may play an important role in regulating the level and activity of these potent and active estrogen metabolites. Is also active with androsterone, hyodeoxycholic acid and tetrachlorocatechol (in vitro).
Gene Name:
UGT2B7
Uniprot ID:
P16662
Molecular weight:
60720.15
Enzyme Details
4. 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
Quercetin → Quercetin-4'-glucuronidedetails
Enzyme Details
5. UDP-glucuronosyltransferase 1-9
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 has specificity for phenols.
Gene Name:
UGT1A9
Uniprot ID:
O60656
Molecular weight:
59940.495
Enzyme Details
6. UDP-glucuronosyltransferase 1-6
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 has specificity for phenols.
Gene Name:
UGT1A6
Uniprot ID:
P19224
Molecular weight:
60750.215