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Showing metabocard for Quercetin 3-O-glucuronide (HMDB0029212)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (7) Show 7 proteinsXML
enzymes (7) Show 7 proteins
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-08 14:59:55 UTC
Update Date2021-09-14 15:16:54 UTC
HMDB IDHMDB0029212
Secondary Accession Numbers
  • HMDB29212
Metabolite Identification
Common NameQuercetin 3-O-glucuronide
Description6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid belongs to the class of organic compounds known as flavonoid-3-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C3-position. Based on a literature review very few articles have been published on 6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid.
Structure
Data?1582753388
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0029212 (Quercetin 3-O-glucuronide)

Quercetin 3-O-glucuronide
  Mrv1652303102016542D          

 34 37  0  0  0  0            999 V2000
    2.8827   -1.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8827   -2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1682   -2.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4537   -2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4537   -1.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1682   -0.8554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7392   -0.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0248   -1.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897   -0.8554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5971   -2.5054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8827   -3.7429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5971   -3.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5971   -4.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8827   -4.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5971   -5.8054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0260   -4.9804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0260   -3.3304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3116   -3.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3116   -4.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1682   -3.3304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7392   -2.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0248   -2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7392   -3.3304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0260   -0.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3116    0.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5971   -0.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5971   -0.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3116   -1.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0260   -0.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7405    0.3821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1682   -4.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4537   -4.5679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1682   -5.8054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7406   -1.2679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 19  1  0  0  0  0
 13 14  1  0  0  0  0
 11 14  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 12 10  1  0  0  0  0
  3 20  2  0  0  0  0
  4 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22  8  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
  1 27  1  0  0  0  0
 24 30  1  0  0  0  0
 14 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 29 34  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
Download

3D MOL for HMDB0029212 (Quercetin 3-O-glucuronide)

HMDB0254747
     RDKit          3D
Miquelianin
 52 55  0  0  0  0  0  0  0  0999 V2000
    2.6976   -3.8645   -0.7020 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2470   -2.7969   -1.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2269   -2.8994   -2.0568 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9231   -1.4623   -0.5605 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9418   -1.4643    0.4020 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5694   -0.1567    0.6365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3700   -0.0270    1.4238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069    0.6939    0.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7647    0.1633    0.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8859   -1.2601    0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1656   -2.2726    0.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3503   -3.6046    0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2667   -3.9485   -0.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4437   -5.2879   -1.1942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -2.9365   -1.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9363   -3.2855   -2.3326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8165   -1.6378   -0.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7494    0.9775   -0.1138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7430    2.2557    0.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8002    3.0370   -0.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7815    4.3876   -0.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8449    5.1588   -0.6161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7522    4.9926    0.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6657    4.2516    0.9919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6554    4.8884    1.6470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6948    2.8952    0.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6907    2.0779    1.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2938    2.5153    1.7977 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7002    0.6180    1.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0477    1.7542    0.5963 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9254   -0.2770    1.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7796   -1.3059    2.2503 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2031   -0.8214   -0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2198   -1.7697    0.0896 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9003   -2.1596   -2.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5227   -0.8598   -1.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3450    0.3220   -0.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4618   -2.0659    1.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7638   -4.3939    0.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1158   -5.5083   -1.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4770   -2.5347   -2.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4094   -0.8633   -1.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5973    2.5132   -0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8698    6.1495   -0.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7247    6.0502    0.6894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1468    4.5480    2.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4424    0.8657    2.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5934    1.8536   -0.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7949    0.3387    1.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9115   -1.1762    2.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5275   -0.0353   -0.7352 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8126   -2.6324    0.4145 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  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
  9 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 27 28  2  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
 17 10  1  0
 26 19  1  0
  3 35  1  0
  4 36  1  0
  6 37  1  0
 11 38  1  0
 12 39  1  0
 14 40  1  0
 16 41  1  0
 17 42  1  0
 20 43  1  0
 22 44  1  0
 23 45  1  0
 25 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 HMDB0029212 (Quercetin 3-O-glucuronide)

Quercetin 3-O-glucuronide
  Mrv1652303102016542D          

 34 37  0  0  0  0            999 V2000
    2.8827   -1.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8827   -2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1682   -2.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4537   -2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4537   -1.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1682   -0.8554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7392   -0.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0248   -1.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897   -0.8554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5971   -2.5054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8827   -3.7429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5971   -3.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5971   -4.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8827   -4.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5971   -5.8054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0260   -4.9804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0260   -3.3304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3116   -3.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3116   -4.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1682   -3.3304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7392   -2.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0248   -2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7392   -3.3304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0260   -0.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3116    0.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5971   -0.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5971   -0.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3116   -1.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0260   -0.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7405    0.3821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1682   -4.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4537   -4.5679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1682   -5.8054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7406   -1.2679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 19  1  0  0  0  0
 13 14  1  0  0  0  0
 11 14  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 12 10  1  0  0  0  0
  3 20  2  0  0  0  0
  4 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22  8  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
  1 27  1  0  0  0  0
 24 30  1  0  0  0  0
 14 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 29 34  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029212

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)OC(C1O)C(O)=O

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

> <INCHI_KEY>
DUBCCGAQYVUYEU-UHFFFAOYSA-N

> <FORMULA>
C21H18O13

> <MOLECULAR_WEIGHT>
478.3598

> <EXACT_MASS>
478.074740662

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
43.269324991368876

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
1.37

> <JCHEM_LOGP>
0.17543924199999955

> <ALOGPS_LOGS>
-2.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.372487259298596

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.6505516813380208

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7319986993890746

> <JCHEM_POLAR_SURFACE_AREA>
223.66999999999996

> <JCHEM_REFRACTIVITY>
109.1429

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.40e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
miquelianin

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0029212 (Quercetin 3-O-glucuronide)

HMDB0254747
     RDKit          3D
Miquelianin
 52 55  0  0  0  0  0  0  0  0999 V2000
    2.6976   -3.8645   -0.7020 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2470   -2.7969   -1.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2269   -2.8994   -2.0568 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9231   -1.4623   -0.5605 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9418   -1.4643    0.4020 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5694   -0.1567    0.6365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3700   -0.0270    1.4238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069    0.6939    0.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7647    0.1633    0.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8859   -1.2601    0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1656   -2.2726    0.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3503   -3.6046    0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2667   -3.9485   -0.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4437   -5.2879   -1.1942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -2.9365   -1.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9363   -3.2855   -2.3326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8165   -1.6378   -0.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7494    0.9775   -0.1138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7430    2.2557    0.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8002    3.0370   -0.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7815    4.3876   -0.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8449    5.1588   -0.6161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7522    4.9926    0.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6657    4.2516    0.9919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6554    4.8884    1.6470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6948    2.8952    0.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6907    2.0779    1.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2938    2.5153    1.7977 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7002    0.6180    1.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0477    1.7542    0.5963 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9254   -0.2770    1.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7796   -1.3059    2.2503 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2031   -0.8214   -0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2198   -1.7697    0.0896 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9003   -2.1596   -2.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5227   -0.8598   -1.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3450    0.3220   -0.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4618   -2.0659    1.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7638   -4.3939    0.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1158   -5.5083   -1.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4770   -2.5347   -2.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4094   -0.8633   -1.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5973    2.5132   -0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8698    6.1495   -0.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7247    6.0502    0.6894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1468    4.5480    2.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4424    0.8657    2.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5934    1.8536   -0.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7949    0.3387    1.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9115   -1.1762    2.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5275   -0.0353   -0.7352 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8126   -2.6324    0.4145 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  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
  9 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 27 28  2  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
 17 10  1  0
 26 19  1  0
  3 35  1  0
  4 36  1  0
  6 37  1  0
 11 38  1  0
 12 39  1  0
 14 40  1  0
 16 41  1  0
 17 42  1  0
 20 43  1  0
 22 44  1  0
 23 45  1  0
 25 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 HMDB0029212 (Quercetin 3-O-glucuronide)

HEADER    PROTEIN                                 10-MAR-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Quercetin 3-O-glucuronide                         
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-MAR-20         0                                  
HETATM    1  C   UNK     0       5.381  -2.367   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.381  -3.907   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.047  -4.677   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.714  -3.907   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.714  -2.367   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       4.047  -1.597   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       1.380  -1.597   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.046  -2.367   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -1.287  -1.597   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       6.715  -4.677   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       5.381  -6.987   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       6.715  -6.217   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.715  -9.297   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.381  -8.527   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       6.715 -10.837   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       9.382  -9.297   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       9.382  -6.217   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       8.048  -6.987   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.048  -8.527   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       4.047  -6.217   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       1.380  -4.677   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.046  -3.907   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       1.380  -6.217   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       9.382  -0.057   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.048   0.713   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.715  -0.057   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.715  -1.597   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.048  -2.367   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.382  -1.597   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      10.716   0.713   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       4.047  -9.297   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       2.714  -8.527   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       4.047 -10.837   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      10.716  -2.367   0.000  0.00  0.00           O+0
CONECT    1    2    6   27                                                  
CONECT    2    1    3   10                                                  
CONECT    3    2    4   20                                                  
CONECT    4    3    5   21                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8                                                       
CONECT    8    7    9   22                                                  
CONECT    9    8                                                            
CONECT   10    2   12                                                       
CONECT   11   12   14                                                       
CONECT   12   11   10   18                                                  
CONECT   13   19   14   15                                                  
CONECT   14   13   11   31                                                  
CONECT   15   13                                                            
CONECT   16   19                                                            
CONECT   17   18                                                            
CONECT   18   17   12   19                                                  
CONECT   19   13   16   18                                                  
CONECT   20    3                                                            
CONECT   21    4   22   23                                                  
CONECT   22   21    8                                                       
CONECT   23   21                                                            
CONECT   24   25   29   30                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28    1                                                  
CONECT   28   27   29                                                       
CONECT   29   28   24   34                                                  
CONECT   30   24                                                            
CONECT   31   14   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   29                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END
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3D PDB for HMDB0029212 (Quercetin 3-O-glucuronide)

COMPND    HMDB0257022
HETATM    1  O1  UNL     1      -4.398  -2.323  -0.983  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.239  -2.515  -0.549  1.00  0.00           C  
HETATM    3  O2  UNL     1      -2.392  -3.349  -1.218  1.00  0.00           O  
HETATM    4  C2  UNL     1      -2.814  -1.831   0.682  1.00  0.00           C  
HETATM    5  O3  UNL     1      -1.529  -2.137   1.010  1.00  0.00           O  
HETATM    6  C3  UNL     1      -0.904  -1.135   1.805  1.00  0.00           C  
HETATM    7  O4  UNL     1      -0.118  -0.292   1.182  1.00  0.00           O  
HETATM    8  C4  UNL     1       0.663   0.540   0.568  1.00  0.00           C  
HETATM    9  C5  UNL     1       1.398   0.201  -0.539  1.00  0.00           C  
HETATM   10  C6  UNL     1       1.445  -1.098  -1.188  1.00  0.00           C  
HETATM   11  C7  UNL     1       1.797  -1.186  -2.548  1.00  0.00           C  
HETATM   12  C8  UNL     1       1.950  -2.346  -3.229  1.00  0.00           C  
HETATM   13  C9  UNL     1       1.755  -3.534  -2.572  1.00  0.00           C  
HETATM   14  O5  UNL     1       1.900  -4.751  -3.232  1.00  0.00           O  
HETATM   15  C10 UNL     1       1.413  -3.514  -1.252  1.00  0.00           C  
HETATM   16  O6  UNL     1       1.205  -4.679  -0.543  1.00  0.00           O  
HETATM   17  C11 UNL     1       1.263  -2.286  -0.574  1.00  0.00           C  
HETATM   18  O7  UNL     1       2.157   1.168  -1.092  1.00  0.00           O  
HETATM   19  C12 UNL     1       2.243   2.382  -0.652  1.00  0.00           C  
HETATM   20  C13 UNL     1       3.054   3.298  -1.292  1.00  0.00           C  
HETATM   21  C14 UNL     1       3.137   4.569  -0.818  1.00  0.00           C  
HETATM   22  O8  UNL     1       3.962   5.475  -1.478  1.00  0.00           O  
HETATM   23  C15 UNL     1       2.419   4.973   0.304  1.00  0.00           C  
HETATM   24  C16 UNL     1       1.608   4.067   0.947  1.00  0.00           C  
HETATM   25  O9  UNL     1       0.869   4.386   2.054  1.00  0.00           O  
HETATM   26  C17 UNL     1       1.524   2.767   0.461  1.00  0.00           C  
HETATM   27  C18 UNL     1       0.724   1.869   1.095  1.00  0.00           C  
HETATM   28  O10 UNL     1       0.050   2.160   2.110  1.00  0.00           O  
HETATM   29  C19 UNL     1      -1.998  -0.522   2.709  1.00  0.00           C  
HETATM   30  O11 UNL     1      -1.365   0.067   3.767  1.00  0.00           O  
HETATM   31  C20 UNL     1      -2.870   0.329   1.870  1.00  0.00           C  
HETATM   32  O12 UNL     1      -4.168   0.454   2.381  1.00  0.00           O  
HETATM   33  C21 UNL     1      -2.928  -0.321   0.479  1.00  0.00           C  
HETATM   34  O13 UNL     1      -4.137  -0.079  -0.138  1.00  0.00           O  
HETATM   35  H1  UNL     1      -1.879  -4.035  -0.668  1.00  0.00           H  
HETATM   36  H2  UNL     1      -3.551  -2.083   1.478  1.00  0.00           H  
HETATM   37  H3  UNL     1      -0.327  -1.777   2.589  1.00  0.00           H  
HETATM   38  H4  UNL     1       1.950  -0.251  -3.062  1.00  0.00           H  
HETATM   39  H5  UNL     1       2.222  -2.416  -4.279  1.00  0.00           H  
HETATM   40  H6  UNL     1       2.154  -4.722  -4.208  1.00  0.00           H  
HETATM   41  H7  UNL     1       1.314  -5.557  -1.031  1.00  0.00           H  
HETATM   42  H8  UNL     1       1.044  -2.367   0.473  1.00  0.00           H  
HETATM   43  H9  UNL     1       3.632   3.037  -2.167  1.00  0.00           H  
HETATM   44  H10 UNL     1       4.051   6.431  -1.153  1.00  0.00           H  
HETATM   45  H11 UNL     1       2.517   5.985   0.643  1.00  0.00           H  
HETATM   46  H12 UNL     1       0.811   5.254   2.533  1.00  0.00           H  
HETATM   47  H13 UNL     1      -2.552  -1.402   3.140  1.00  0.00           H  
HETATM   48  H14 UNL     1      -1.718   0.959   4.014  1.00  0.00           H  
HETATM   49  H15 UNL     1      -2.467   1.333   1.754  1.00  0.00           H  
HETATM   50  H16 UNL     1      -4.795   0.785   1.680  1.00  0.00           H  
HETATM   51  H17 UNL     1      -2.090   0.004  -0.150  1.00  0.00           H  
HETATM   52  H18 UNL     1      -3.994   0.012  -1.112  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   18
CONECT   10   11   11   17
CONECT   11   12   38
CONECT   12   13   13   39
CONECT   13   14   15
CONECT   14   40
CONECT   15   16   17   17
CONECT   16   41
CONECT   17   42
CONECT   18   19
CONECT   19   20   20   26
CONECT   20   21   43
CONECT   21   22   23   23
CONECT   22   44
CONECT   23   24   45
CONECT   24   25   26   26
CONECT   25   46
CONECT   26   27
CONECT   27   28   28
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 HMDB0029212 (Quercetin 3-O-glucuronide)

OC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)OC(C1O)C(O)=O
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INCHI for HMDB0029212 (Quercetin 3-O-glucuronide)

InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylateGenerator
MiquelianinHMDB, MeSH
Quercetin 3-glucuronideHMDB
Quercetin-3-glucuronidequercetin glucuronideHMDB
Quercetin 3-O-beta-D-glucopyranosideMeSH, HMDB
Quercetin 3-O-beta-glucopyranosideMeSH, HMDB
Quercetin 3-O-glucopyranosideMeSH, HMDB
QuercituroneMeSH, HMDB
Chemical FormulaC21H18O13
Average Molecular Weight478.3598
Monoisotopic Molecular Weight478.074740662
IUPAC Name6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Traditional Namemiquelianin
CAS Registry Number22688-79-5
SMILES
OC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)OC(C1O)C(O)=O
InChI Identifier
InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)
InChI KeyDUBCCGAQYVUYEU-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid-3-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C3-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid-3-O-glucuronides
Alternative Parents
Substituents
  • Flavonoid-3-o-glucuronide
  • Flavonoid-3-o-glycoside
  • 3'-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Flavone
  • Hydroxyflavonoid
  • 1-o-glucuronide
  • O-glucuronide
  • Glucuronic acid or derivatives
  • Hexose monosaccharide
  • Chromone
  • Glycosyl compound
  • O-glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • Catechol
  • Beta-hydroxy acid
  • Pyranone
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Monosaccharide
  • Oxane
  • Hydroxy acid
  • Monocyclic benzene moiety
  • Benzenoid
  • Pyran
  • Heteroaromatic compound
  • Vinylogous acid
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Acetal
  • Polyol
  • Organoheterocyclic compound
  • Carboxylic acid derivative
  • Carboxylic acid
  • Oxacycle
  • Organooxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxygen compound
  • Alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
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 Solubility2.4 g/LALOGPS
logP1.37ALOGPS
logP0.18ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)2.65ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count13ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area223.67 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity109.14 m³·mol⁻¹ChemAxon
Polarizability43.27 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]+197.75930932474
DeepCCS[M-H]-195.36330932474
DeepCCS[M-2H]-228.24630932474
DeepCCS[M+Na]+203.67130932474
AllCCS[M+H]+206.332859911
AllCCS[M+H-H2O]+204.032859911
AllCCS[M+NH4]+208.432859911
AllCCS[M+Na]+209.032859911
AllCCS[M-H]-203.532859911
AllCCS[M+Na-2H]-203.832859911
AllCCS[M+HCOO]-204.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Quercetin 3-O-glucuronideOC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)OC(C1O)C(O)=O6106.6Standard polar33892256
Quercetin 3-O-glucuronideOC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)OC(C1O)C(O)=O4321.1Standard non polar33892256
Quercetin 3-O-glucuronideOC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)OC(C1O)C(O)=O4559.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Quercetin 3-O-glucuronide,1TMS,isomer #1C[Si](C)(C)OC1C(O)C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(C(=O)O)C1O4499.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,1TMS,isomer #2C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(C(=O)O)C(O)C1O4498.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,1TMS,isomer #3C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C14550.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,1TMS,isomer #4C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O)C(O)C1O)=C(C1=CC=C(O)C(O)=C1)O24492.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,1TMS,isomer #5C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O4514.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,1TMS,isomer #6C[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4504.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,1TMS,isomer #7C[Si](C)(C)OC1C(C(=O)O)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O4487.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,1TMS,isomer #8C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O4481.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #1C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(C(=O)O)C(O)C1O[Si](C)(C)C4427.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #10C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C14457.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #11C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O24420.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #12C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O4430.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #13C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(C(=O)O)C(O[Si](C)(C)C)C1O4427.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #14C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C14440.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #15C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O4449.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #16C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C14448.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #17C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C14453.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #18C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C14431.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #19C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O4437.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #2C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O4400.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #20C[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4413.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #21C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O4398.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #22C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O)=C(C1=CC=C(O)C(O)=C1)O24408.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #23C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O4409.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #24C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O4404.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #25C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C4396.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #26C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O4386.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #27C[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4386.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #28C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C4427.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #3C[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4379.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #4C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C14438.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #5C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C(O)=C1)O24404.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #6C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O4414.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #7C[Si](C)(C)OC1C(C(=O)O)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C4418.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #8C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O4421.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TMS,isomer #9C[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4402.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #1C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O4296.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #10C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O4280.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #11C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C4262.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #12C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C14232.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #13C[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4208.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #14C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O4245.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #15C[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4261.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #16C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C14275.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #17C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O4302.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #18C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C14329.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #19C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O4274.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #2C[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4272.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #20C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C(O)=C1)O24300.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #21C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4347.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #22C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C14305.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #23C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O4276.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #24C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O4306.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #25C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O4298.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #26C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C4286.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #27C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C14280.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #28C[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4249.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #29C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O4285.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #3C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C14342.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #30C[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4279.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #31C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C14307.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #32C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O4338.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #33C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C14344.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #34C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O4310.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #35C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O24317.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #36C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4366.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #37C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O4296.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #38C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C14294.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #39C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C14269.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #4C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O24310.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #40C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C14243.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #41C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O4288.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #42C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O4271.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #43C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C4333.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #44C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C14288.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #45C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C14262.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #46C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14300.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #47C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O4265.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #48C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O4257.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #49C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O[Si](C)(C)C4272.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #5C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4353.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #50C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O4244.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #51C[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4229.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #52C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C4308.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #53C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O4266.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #54C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C4299.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #55C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C4273.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #56C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C4280.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #6C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4361.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #7C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C14260.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #8C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O4234.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TMS,isomer #9C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O4264.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #1C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C14205.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #10C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C14237.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #11C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4279.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #12C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C14291.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #13C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4244.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #14C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O24261.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #15C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4320.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #16C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C14140.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #17C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O4150.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #18C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C14180.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #19C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14177.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #2C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O4180.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #20C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O4125.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #21C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O4159.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #22C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O[Si](C)(C)C4153.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #23C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O4180.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #24C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4215.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #25C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C4214.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #26C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C14125.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #27C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O4135.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #28C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C14162.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #29C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O4109.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #3C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4222.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #30C[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4138.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #31C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4203.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #32C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O4190.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #33C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C14220.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #34C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4277.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #35C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4243.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #36C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C14187.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #37C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O4225.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #38C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C14204.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #39C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14233.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #4C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O4239.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #40C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O4199.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #41C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O4180.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #42C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O[Si](C)(C)C4202.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #43C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O4235.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #44C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4251.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #45C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C4229.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #46C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C14166.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #47C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O4210.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #48C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C14185.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #49C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O4181.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #5C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C4228.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #50C[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4160.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #51C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4240.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #52C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O4246.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #53C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C14235.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #54C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4304.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #55C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4275.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #56C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O4151.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #57C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O4133.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #58C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C4242.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #59C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C14158.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #6C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C14182.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #60C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C14139.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #61C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14189.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #62C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O4192.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #63C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C4213.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #64C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C4197.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #65C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14209.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #66C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O4157.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #67C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C4188.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #68C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O[Si](C)(C)C4178.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #69C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C4169.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #7C[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4156.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #70C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C4228.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #8C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4209.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,4TMS,isomer #9C[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4219.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #1C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C14116.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #10C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C4216.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #11C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C14108.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #12C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4126.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #13C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C14140.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #14C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4096.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #15C[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4122.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #16C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4199.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #17C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4159.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #18C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C14205.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #19C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4267.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #2C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4140.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #20C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4239.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #21C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O4093.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #22C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C14107.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #23C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14113.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #24C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O4106.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #25C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4134.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #26C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14146.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #27C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O4067.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #28C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4111.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #29C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O[Si](C)(C)C4123.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #3C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C14155.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #30C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4180.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #31C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O4084.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #32C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C14101.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #33C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4121.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #34C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4095.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #35C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4158.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #36C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O4113.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #37C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C14120.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #38C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14149.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #39C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O4172.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #4C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14167.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #40C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4170.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #41C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14168.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #42C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O4135.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #43C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4150.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #44C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O[Si](C)(C)C4145.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #45C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4215.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #46C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O4100.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #47C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C14112.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #48C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4155.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #49C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4133.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #5C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4113.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #50C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4210.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #51C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O4084.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #52C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C4104.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #53C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C4092.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #54C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C14125.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #55C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C4153.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #56C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C4118.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #6C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O4137.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #7C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O[Si](C)(C)C4143.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #8C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4179.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,5TMS,isomer #9C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4208.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(O)C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(C(=O)O)C1O4793.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(C(=O)O)C(O)C1O4800.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C14791.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O)C(O)C1O)=C(C1=CC=C(O)C(O)=C1)O24761.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O4802.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4783.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O4783.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O4768.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C4897.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C14905.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C(O)=C1)O24871.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4897.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O4887.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C14873.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O4910.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C14887.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C14885.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14847.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1O4858.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O4857.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O4820.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O4871.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)=C(C1=CC=C(O)C(O)=C1)O24853.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O4881.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O4853.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C4838.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O4849.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4821.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4903.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4823.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C14886.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)=C(C1=CC=C(O)C(O)=C1)O24855.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4883.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C(C)(C)C4873.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O4873.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4842.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C(C2=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)C3=C(O)C=C(O)C=C3O2)C=C1O4906.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C(C2=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)C3=C(O)C=C(O)C=C3O2)C=C1O4884.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C4882.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14892.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O4859.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4896.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC(C2=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)C3=C(O)C=C(O)C=C3O2)=CC=C1O4853.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C14906.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4951.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)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(C3=CC=C(O)C(O)=C3)OC2=C14928.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4912.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(C2=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)C3=C(O)C=C(O)C=C3O2)=CC=C1O4876.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)=C(C1=CC=C(O)C(O)=C1)O24885.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4948.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C14942.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1O4906.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4946.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC=C(C2=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)C3=C(O)C=C(O)C=C3O2)C=C1O4909.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C4901.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14902.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[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=C1O4867.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4913.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)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(C3=CC=C(O)C(O)=C3)OC2=C14951.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC(C2=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)C3=C(O)C=C(O)C=C3O2)=CC=C1O4879.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C14930.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4972.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)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(C3=CC=C(O)C(O)=C3)OC2=C14953.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4932.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C(O)=C1)O24915.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #36CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4986.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #37CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O4932.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #38CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C14906.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #39CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C14962.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C(O)=C1)O24911.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #40CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14920.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #41CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O4969.7Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #42CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O4933.4Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #43CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4966.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #44CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C14916.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #45CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14877.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #46CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C14931.2Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #47CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O4929.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #48CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1O4883.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #49CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C4892.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4958.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #50CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O4890.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #51CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O4844.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #52CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4927.6Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #53CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O4914.8Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #54CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4938.5Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #55CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C4880.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #56CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4903.3Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4950.1Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C14931.0Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1O4899.9Semi standard non polar33892256
Quercetin 3-O-glucuronide,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4927.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (Non-derivatized) - 70eV, Positivesplash10-0bti-9107300000-714612e4ef40033d94ae2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (3 TMS) - 70eV, Positivesplash10-003r-3410219000-b0a25980990b8a02ebb52017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (TMS_2_24) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (TMS_3_48) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (TMS_3_55) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (TMS_4_68) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS ("Quercetin 3-O-glucuronide,2TMS,#24" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (TMS_5_40) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (TMS_5_41) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (TMS_5_43) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (TMS_5_44) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (TMS_5_45) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (TMS_5_46) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (TMS_5_49) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (TMS_5_50) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (TMS_5_51) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (TMS_5_54) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (TMS_5_56) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (TBDMS_1_6) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (TBDMS_1_8) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-glucuronide GC-MS (TBDMS_2_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-glucuronide 6V, Positive-QTOFsplash10-0fb9-0018900000-bc841f72dae31a562ff32021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-glucuronide 6V, Positive-QTOFsplash10-0zfr-0920000000-d87295e2dc3cb98363482021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-glucuronide 6V, Positive-QTOFsplash10-0udi-0339300000-3a7b8cb3f41e3a12e7ef2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-glucuronide 6V, Positive-QTOFsplash10-0udi-0945000000-f40514d57d546a4dd6572021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-glucuronide 6V, Positive-QTOFsplash10-0udi-0930000000-fd8eee5da2e97541c76a2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-glucuronide 6V, Positive-QTOFsplash10-0udi-0229100000-caf693ec6598f152c4032021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-glucuronide 6V, Positive-QTOFsplash10-0fb9-0018900000-4d2d322e288e44d7633f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-glucuronide 6V, Positive-QTOFsplash10-0fb9-0017900000-c77983cba3654cb5e3e52021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-glucuronide 6V, Positive-QTOFsplash10-0udi-0946000000-172deaaf775a336877e52021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-glucuronide 6V, Negative-QTOFsplash10-0udi-0229100000-02eaf5bb62533dc188042021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-glucuronide 6V, Positive-QTOFsplash10-0udi-0946000000-6efad4f2a0b4993329522021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-glucuronide 6V, Positive-QTOFsplash10-0udi-0229200000-1bfc3973dabdc575d12e2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 3-O-glucuronide 10V, Positive-QTOFsplash10-0w4i-0127900000-888497144ed0a58f14302016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 3-O-glucuronide 20V, Positive-QTOFsplash10-0udi-0269100000-ffa2eef5a9f6da57515f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 3-O-glucuronide 40V, Positive-QTOFsplash10-0f79-1962000000-8420ca4f7611346a40f92016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 3-O-glucuronide 10V, Negative-QTOFsplash10-0fc0-1205900000-d82281a0cfc850ac556d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 3-O-glucuronide 20V, Negative-QTOFsplash10-0udi-2439300000-32de6f80f0e99cee2d972016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 3-O-glucuronide 40V, Negative-QTOFsplash10-0zfr-4944000000-ad1455b78c7220e82a592016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 3-O-glucuronide 10V, Positive-QTOFsplash10-0udi-0009200000-d5a5da942043a4b57eeb2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 3-O-glucuronide 20V, Positive-QTOFsplash10-0ui0-0009900000-c95826e026f54d6b840e2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 3-O-glucuronide 40V, Positive-QTOFsplash10-0udi-0009000000-58b2754f892c40f076992021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 3-O-glucuronide 10V, Negative-QTOFsplash10-004i-0000900000-72e5a5361cde5bfdd4ee2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 3-O-glucuronide 20V, Negative-QTOFsplash10-0fb9-0005900000-cbf575821b9173da455d2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 3-O-glucuronide 40V, Negative-QTOFsplash10-0udi-0019100000-27a2e5fb3244ac4476f72021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 330 details
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 330 details
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 330 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 330 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 330 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 330 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB031347
KNApSAcK IDNot Available
Chemspider ID10176995
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound12004528
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 ReferencesNot Available

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 3-O-glucuronidedetails
Quercetin 3-O-glucuronide → 6-(4-{3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-5,7-dihydroxy-4-oxo-4H-chromen-2-yl}-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
Quercetin 3-O-glucuronide → 6-(5-{3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-5,7-dihydroxy-4-oxo-4H-chromen-2-yl}-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
Quercetin 3-O-glucuronide → 6-({3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-4H-chromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
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
Enzyme Details
7. Sulfotransferase 1A3
General function:
sulfotransferase activity
Specific function:
Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfate conjugation of phenolic monoamines (neurotransmitters such as dopamine, norepinephrine and serotonin) and phenolic and catechol drugs.
Gene Name:
SULT1A3
Uniprot ID:
P0DMM9
Molecular weight:
34195.96
Reactions
Quercetin 3-O-glucuronide → 6-({5,7-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-4-oxo-4H-chromen-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic aciddetails