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Showing metabocard for Quercetin-3'-glucuronide (HMDB0029213)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-08 14:59:57 UTC
Update Date2021-09-14 15:16:43 UTC
HMDB IDHMDB0029213
Secondary Accession Numbers
  • HMDB29213
Metabolite Identification
Common NameQuercetin-3'-glucuronide
DescriptionQuercetin-3'-glucuronide belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Quercetin-3'-glucuronide has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make quercetin-3'-glucuronide a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Quercetin-3'-glucuronide.
Structure
Data?1582753388
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0029213 (Quercetin-3'-glucuronide)


  Mrv1652303102016542D          

 34 37  0  0  0  0            999 V2000
   -1.9075    1.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6220    1.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6220    2.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9075    2.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931    2.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931    1.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4786    1.1257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4786    2.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2359    2.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2359    1.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6648   -0.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9503    0.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9503    1.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6648    1.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793    1.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793    0.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0938   -0.1118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4786    3.6007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9075    3.6007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3365    1.1257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9503    2.7757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6648   -0.9368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9503   -1.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9503   -2.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2359   -2.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2359   -0.9368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4786   -1.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4786   -2.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2359   -3.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931   -2.5868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931   -0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6648   -2.5868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9075   -1.3493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931   -0.1118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  7  6  1  0  0  0  0
  6  5  1  0  0  0  0
  5  8  1  0  0  0  0
  7 10  1  0  0  0  0
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  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 10 13  1  0  0  0  0
 16 17  1  0  0  0  0
  8 18  2  0  0  0  0
  4 19  1  0  0  0  0
  2 20  1  0  0  0  0
  9 21  1  0  0  0  0
 11 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 27 31  1  0  0  0  0
 24 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
M  END
Download

3D MOL for HMDB0029213 (Quercetin-3'-glucuronide)

HMDB0029213
     RDKit          3D
Quercetin-3'-glucuronide
 54 57  0  0  0  0  0  0  0  0999 V2000
   -4.8932    0.5968   -1.8751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4783    1.0096   -0.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4275    0.0663    0.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2013   -1.0634    0.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0779   -1.3647   -0.5762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0781   -1.9000    1.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1812   -1.5417    2.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0630   -2.3796    3.6262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3994   -0.4150    2.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5114    0.4295    1.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7352    1.5729    1.2545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6447    2.3376    0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6111    1.7608   -0.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7881    1.6440   -2.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7991    1.0917   -2.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3736    0.6606   -2.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3280    0.1165   -3.2113 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5827    0.7618   -1.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7204    0.3414   -0.4312 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8895   -0.2379   -0.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0360   -1.4383   -0.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3421   -1.8710   -0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3452   -3.2799    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4263   -3.9324    0.5484 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1740   -3.9463    0.7185 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -0.9970    0.8434 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4435   -1.5781    2.0602 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4142    0.3201    0.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2206    1.3060    1.5410 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0448    0.7156   -0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1570    0.4718   -1.2440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4523    1.3318   -0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2319    3.2816   -1.5358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3453   -0.9624   -1.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6927   -2.8015    1.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6865   -0.1329    3.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3146    3.3509    0.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6933    1.9889   -2.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9460    1.0047   -4.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1861    0.0379   -4.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0108   -0.4501   -1.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8044   -1.8777   -1.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1710   -4.5416    1.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1393   -0.7199    0.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6205   -0.8963    2.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5066    0.1155    1.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6499    1.9911    1.9702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6958    1.7691   -0.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0679    0.8280   -2.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2567    1.3987    0.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6810    2.7561    0.3375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7378    4.1035   -1.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
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  9 10  2  0
 10 11  1  0
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 18 19  1  0
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 30 31  1  0
 18 32  2  0
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 33 34  1  0
 33  2  1  0
 10  3  1  0
 32 13  1  0
 30 20  1  0
  5 35  1  0
  6 36  1  0
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 17 42  1  0
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 22 44  1  0
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 28 48  1  0
 29 49  1  0
 30 50  1  0
 31 51  1  0
 32 52  1  0
 33 53  1  0
 34 54  1  0
M  END
Download

3D SDF for HMDB0029213 (Quercetin-3'-glucuronide)


  Mrv1652303102016542D          

 34 37  0  0  0  0            999 V2000
   -1.9075    1.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6220    1.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6220    2.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9075    2.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931    2.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931    1.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4786    1.1257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4786    2.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2359    2.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2359    1.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6648   -0.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9503    0.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9503    1.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6648    1.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793    1.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793    0.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0938   -0.1118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4786    3.6007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9075    3.6007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3365    1.1257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9503    2.7757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6648   -0.9368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9503   -1.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9503   -2.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2359   -2.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2359   -0.9368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4786   -1.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4786   -2.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2359   -3.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931   -2.5868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931   -0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6648   -2.5868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9075   -1.3493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931   -0.1118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  7  6  1  0  0  0  0
  6  5  1  0  0  0  0
  5  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 10 13  1  0  0  0  0
 16 17  1  0  0  0  0
  8 18  2  0  0  0  0
  4 19  1  0  0  0  0
  2 20  1  0  0  0  0
  9 21  1  0  0  0  0
 11 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 25  1  0  0  0  0
 25 29  1  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  0  0  0  0
 24 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029213

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1C(O)C(OC2=C(O)C=CC(=C2)C2OC3=CC(O)=CC(O)=C3C(=O)C2O)OC(C1O)C(O)=O

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

> <INCHI_KEY>
HXJMVCQRRSNMPB-UHFFFAOYSA-N

> <FORMULA>
C21H20O13

> <MOLECULAR_WEIGHT>
480.3757

> <EXACT_MASS>
480.090390726

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
54

> <JCHEM_AVERAGE_POLARIZABILITY>
44.078171970380964

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,4,5-trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid

> <ALOGPS_LOGP>
0.38

> <JCHEM_LOGP>
-0.13140928733333332

> <ALOGPS_LOGS>
-2.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.7536442367352105

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.005960814416951

> <JCHEM_PKA_STRONGEST_BASIC>
-3.731998669963251

> <JCHEM_POLAR_SURFACE_AREA>
223.67

> <JCHEM_REFRACTIVITY>
106.62069999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.70e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,4,5-trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0029213 (Quercetin-3'-glucuronide)

HMDB0029213
     RDKit          3D
Quercetin-3'-glucuronide
 54 57  0  0  0  0  0  0  0  0999 V2000
   -4.8932    0.5968   -1.8751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4783    1.0096   -0.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4275    0.0663    0.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2013   -1.0634    0.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0779   -1.3647   -0.5762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0781   -1.9000    1.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1812   -1.5417    2.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0630   -2.3796    3.6262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3994   -0.4150    2.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5114    0.4295    1.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7352    1.5729    1.2545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6447    2.3376    0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6111    1.7608   -0.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7881    1.6440   -2.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7991    1.0917   -2.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3736    0.6606   -2.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3280    0.1165   -3.2113 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5827    0.7618   -1.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7204    0.3414   -0.4312 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8895   -0.2379   -0.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0360   -1.4383   -0.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3421   -1.8710   -0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3452   -3.2799    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4263   -3.9324    0.5484 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1740   -3.9463    0.7185 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -0.9970    0.8434 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4435   -1.5781    2.0602 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4142    0.3201    0.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2206    1.3060    1.5410 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0448    0.7156   -0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1570    0.4718   -1.2440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4523    1.3318   -0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0222    2.3804   -0.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2319    3.2816   -1.5358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3453   -0.9624   -1.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6927   -2.8015    1.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5923   -3.2131    3.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6865   -0.1329    3.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3146    3.3509    0.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6933    1.9889   -2.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9460    1.0047   -4.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1861    0.0379   -4.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0108   -0.4501   -1.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8044   -1.8777   -1.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1710   -4.5416    1.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1393   -0.7199    0.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6205   -0.8963    2.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5066    0.1155    1.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6499    1.9911    1.9702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6958    1.7691   -0.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0679    0.8280   -2.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2567    1.3987    0.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6810    2.7561    0.3375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7378    4.1035   -1.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 22 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 18 32  2  0
 12 33  1  0
 33 34  1  0
 33  2  1  0
 10  3  1  0
 32 13  1  0
 30 20  1  0
  5 35  1  0
  6 36  1  0
  8 37  1  0
  9 38  1  0
 12 39  1  0
 14 40  1  0
 15 41  1  0
 17 42  1  0
 20 43  1  0
 22 44  1  0
 25 45  1  0
 26 46  1  0
 27 47  1  0
 28 48  1  0
 29 49  1  0
 30 50  1  0
 31 51  1  0
 32 52  1  0
 33 53  1  0
 34 54  1  0
M  END
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PDB for HMDB0029213 (Quercetin-3'-glucuronide)

HEADER    PROTEIN                                 10-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-MAR-20         0                                  
HETATM    1  C   UNK     0      -3.561   2.101   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.894   2.871   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.894   4.411   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.561   5.181   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.227   4.411   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.227   2.871   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.893   2.101   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -0.893   5.181   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.440   4.411   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.440   2.871   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.108  -0.209   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.774   0.561   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.774   2.101   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.108   2.871   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.441   2.101   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.441   0.561   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.775  -0.209   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -0.893   6.721   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -3.561   6.721   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -6.228   2.101   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       1.774   5.181   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       3.108  -1.749   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       1.774  -2.519   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.774  -4.059   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.440  -4.829   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       0.440  -1.749   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -0.893  -2.519   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.893  -4.059   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       0.440  -6.369   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -2.227  -4.829   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -2.227  -1.749   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       3.108  -4.829   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -3.561  -2.519   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -2.227  -0.209   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   20                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   19                                                  
CONECT    5    4    6    8                                                  
CONECT    6    1    7    5                                                  
CONECT    7    6   10                                                       
CONECT    8    5    9   18                                                  
CONECT    9    8   10   21                                                  
CONECT   10    7    9   13                                                  
CONECT   11   12   16   22                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   10                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   11   15   17                                                  
CONECT   17   16                                                            
CONECT   18    8                                                            
CONECT   19    4                                                            
CONECT   20    2                                                            
CONECT   21    9                                                            
CONECT   22   11   23                                                       
CONECT   23   22   24   26                                                  
CONECT   24   23   25   32                                                  
CONECT   25   24   28   29                                                  
CONECT   26   23   27                                                       
CONECT   27   26   28   31                                                  
CONECT   28   27   25   30                                                  
CONECT   29   25                                                            
CONECT   30   28                                                            
CONECT   31   27   33   34                                                  
CONECT   32   24                                                            
CONECT   33   31                                                            
CONECT   34   31                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END
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3D PDB for HMDB0029213 (Quercetin-3'-glucuronide)

COMPND    HMDB0029213
HETATM    1  O1  UNL     1      -4.893   0.597  -1.875  1.00  0.00           O  
HETATM    2  C1  UNL     1      -4.478   1.010  -0.785  1.00  0.00           C  
HETATM    3  C2  UNL     1      -4.427   0.066   0.347  1.00  0.00           C  
HETATM    4  C3  UNL     1      -5.201  -1.063   0.423  1.00  0.00           C  
HETATM    5  O2  UNL     1      -6.078  -1.365  -0.576  1.00  0.00           O  
HETATM    6  C4  UNL     1      -5.078  -1.900   1.542  1.00  0.00           C  
HETATM    7  C5  UNL     1      -4.181  -1.542   2.513  1.00  0.00           C  
HETATM    8  O3  UNL     1      -4.063  -2.380   3.626  1.00  0.00           O  
HETATM    9  C6  UNL     1      -3.399  -0.415   2.454  1.00  0.00           C  
HETATM   10  C7  UNL     1      -3.511   0.430   1.343  1.00  0.00           C  
HETATM   11  O4  UNL     1      -2.735   1.573   1.254  1.00  0.00           O  
HETATM   12  C8  UNL     1      -2.645   2.338   0.048  1.00  0.00           C  
HETATM   13  C9  UNL     1      -1.611   1.761  -0.842  1.00  0.00           C  
HETATM   14  C10 UNL     1      -1.788   1.644  -2.205  1.00  0.00           C  
HETATM   15  C11 UNL     1      -0.799   1.092  -2.995  1.00  0.00           C  
HETATM   16  C12 UNL     1       0.374   0.661  -2.372  1.00  0.00           C  
HETATM   17  O5  UNL     1       1.328   0.116  -3.211  1.00  0.00           O  
HETATM   18  C13 UNL     1       0.583   0.762  -1.020  1.00  0.00           C  
HETATM   19  O6  UNL     1       1.720   0.341  -0.431  1.00  0.00           O  
HETATM   20  C14 UNL     1       2.890  -0.238  -0.841  1.00  0.00           C  
HETATM   21  O7  UNL     1       3.036  -1.438  -0.114  1.00  0.00           O  
HETATM   22  C15 UNL     1       4.342  -1.871  -0.065  1.00  0.00           C  
HETATM   23  C16 UNL     1       4.345  -3.280   0.408  1.00  0.00           C  
HETATM   24  O8  UNL     1       5.426  -3.932   0.548  1.00  0.00           O  
HETATM   25  O9  UNL     1       3.174  -3.946   0.719  1.00  0.00           O  
HETATM   26  C17 UNL     1       5.192  -0.997   0.843  1.00  0.00           C  
HETATM   27  O10 UNL     1       5.443  -1.578   2.060  1.00  0.00           O  
HETATM   28  C18 UNL     1       4.414   0.320   0.975  1.00  0.00           C  
HETATM   29  O11 UNL     1       5.221   1.306   1.541  1.00  0.00           O  
HETATM   30  C19 UNL     1       4.045   0.716  -0.440  1.00  0.00           C  
HETATM   31  O12 UNL     1       5.157   0.472  -1.244  1.00  0.00           O  
HETATM   32  C20 UNL     1      -0.452   1.332  -0.249  1.00  0.00           C  
HETATM   33  C21 UNL     1      -4.022   2.380  -0.509  1.00  0.00           C  
HETATM   34  O13 UNL     1      -4.232   3.282  -1.536  1.00  0.00           O  
HETATM   35  H1  UNL     1      -6.345  -0.962  -1.413  1.00  0.00           H  
HETATM   36  H2  UNL     1      -5.693  -2.802   1.606  1.00  0.00           H  
HETATM   37  H3  UNL     1      -4.592  -3.213   3.745  1.00  0.00           H  
HETATM   38  H4  UNL     1      -2.686  -0.133   3.229  1.00  0.00           H  
HETATM   39  H5  UNL     1      -2.315   3.351   0.371  1.00  0.00           H  
HETATM   40  H6  UNL     1      -2.693   1.989  -2.636  1.00  0.00           H  
HETATM   41  H7  UNL     1      -0.946   1.005  -4.055  1.00  0.00           H  
HETATM   42  H8  UNL     1       1.186   0.038  -4.202  1.00  0.00           H  
HETATM   43  H9  UNL     1       3.011  -0.450  -1.910  1.00  0.00           H  
HETATM   44  H10 UNL     1       4.804  -1.878  -1.091  1.00  0.00           H  
HETATM   45  H11 UNL     1       3.171  -4.542   1.547  1.00  0.00           H  
HETATM   46  H12 UNL     1       6.139  -0.720   0.320  1.00  0.00           H  
HETATM   47  H13 UNL     1       5.620  -0.896   2.756  1.00  0.00           H  
HETATM   48  H14 UNL     1       3.507   0.116   1.586  1.00  0.00           H  
HETATM   49  H15 UNL     1       4.650   1.991   1.970  1.00  0.00           H  
HETATM   50  H16 UNL     1       3.696   1.769  -0.505  1.00  0.00           H  
HETATM   51  H17 UNL     1       5.068   0.828  -2.149  1.00  0.00           H  
HETATM   52  H18 UNL     1      -0.257   1.399   0.822  1.00  0.00           H  
HETATM   53  H19 UNL     1      -4.681   2.756   0.338  1.00  0.00           H  
HETATM   54  H20 UNL     1      -3.738   4.104  -1.305  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   33
CONECT    3    4    4   10
CONECT    4    5    6
CONECT    5   35
CONECT    6    7    7   36
CONECT    7    8    9
CONECT    8   37
CONECT    9   10   10   38
CONECT   10   11
CONECT   11   12
CONECT   12   13   33   39
CONECT   13   14   14   32
CONECT   14   15   40
CONECT   15   16   16   41
CONECT   16   17   18
CONECT   17   42
CONECT   18   19   32   32
CONECT   19   20
CONECT   20   21   30   43
CONECT   21   22
CONECT   22   23   26   44
CONECT   23   24   24   25
CONECT   25   45
CONECT   26   27   28   46
CONECT   27   47
CONECT   28   29   30   48
CONECT   29   49
CONECT   30   31   50
CONECT   31   51
CONECT   32   52
CONECT   33   34   53
CONECT   34   54
END
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SMILES for HMDB0029213 (Quercetin-3'-glucuronide)

OC1C(O)C(OC2=C(O)C=CC(=C2)C2OC3=CC(O)=CC(O)=C3C(=O)C2O)OC(C1O)C(O)=O
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INCHI for HMDB0029213 (Quercetin-3'-glucuronide)

InChI=1S/C21H20O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-8(23)10(3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14-19,21-24,26-29H,(H,30,31)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
Quercetin-3'-O-glucuronideHMDB
3,4,5-Trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylateHMDB
Chemical FormulaC21H20O13
Average Molecular Weight480.3757
Monoisotopic Molecular Weight480.090390726
IUPAC Name3,4,5-trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid
Traditional Name3,4,5-trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid
CAS Registry NumberNot Available
SMILES
OC1C(O)C(OC2=C(O)C=CC(=C2)C2OC3=CC(O)=CC(O)=C3C(=O)C2O)OC(C1O)C(O)=O
InChI Identifier
InChI=1S/C21H20O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-8(23)10(3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14-19,21-24,26-29H,(H,30,31)
InChI KeyHXJMVCQRRSNMPB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentTyrosine and derivatives
Alternative Parents
Substituents
  • Tyrosine or derivatives
  • Phenylalanine or derivatives
  • Alpha-amino acid ester
  • Amphetamine or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • Fatty acid ester
  • Phenol
  • Aralkylamine
  • Monocyclic benzene moiety
  • Fatty acyl
  • Benzenoid
  • Methyl ester
  • Carboxylic acid ester
  • Monocarboxylic acid or derivatives
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organic oxide
  • Organic nitrogen compound
  • Carbonyl group
  • Organopnictogen compound
  • Organic oxygen compound
  • Amine
  • Primary amine
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
Role
Biological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility3.7 g/LALOGPS
logP0.38ALOGPS
logP-0.13ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)3.01ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count13ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area223.67 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity106.62 m³·mol⁻¹ChemAxon
Polarizability44.08 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+206.15431661259
DarkChem[M-H]-201.92331661259
DeepCCS[M+H]+199.7330932474
DeepCCS[M-H]-197.33430932474
DeepCCS[M-2H]-230.21730932474
DeepCCS[M+Na]+205.64230932474
AllCCS[M+H]+207.832859911
AllCCS[M+H-H2O]+205.732859911
AllCCS[M+NH4]+209.832859911
AllCCS[M+Na]+210.432859911
AllCCS[M-H]-203.632859911
AllCCS[M+Na-2H]-204.232859911
AllCCS[M+HCOO]-205.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Quercetin-3'-glucuronideOC1C(O)C(OC2=C(O)C=CC(=C2)C2OC3=CC(O)=CC(O)=C3C(=O)C2O)OC(C1O)C(O)=O5267.7Standard polar33892256
Quercetin-3'-glucuronideOC1C(O)C(OC2=C(O)C=CC(=C2)C2OC3=CC(O)=CC(O)=C3C(=O)C2O)OC(C1O)C(O)=O4149.0Standard non polar33892256
Quercetin-3'-glucuronideOC1C(O)C(OC2=C(O)C=CC(=C2)C2OC3=CC(O)=CC(O)=C3C(=O)C2O)OC(C1O)C(O)=O4462.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Quercetin-3'-glucuronide,1TMS,isomer #1C[Si](C)(C)OC1C(O)C(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)OC(C(=O)O)C1O4455.1Semi standard non polar33892256
Quercetin-3'-glucuronide,1TMS,isomer #2C[Si](C)(C)OC1C(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)OC(C(=O)O)C(O)C1O4464.3Semi standard non polar33892256
Quercetin-3'-glucuronide,1TMS,isomer #3C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O)C(O)C1O4462.2Semi standard non polar33892256
Quercetin-3'-glucuronide,1TMS,isomer #4C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3)OC2=C14491.9Semi standard non polar33892256
Quercetin-3'-glucuronide,1TMS,isomer #5C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C1)O24488.6Semi standard non polar33892256
Quercetin-3'-glucuronide,1TMS,isomer #6C[Si](C)(C)OC1C(=O)C2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(C(=O)O)C(O)C(O)C2O)=C14458.3Semi standard non polar33892256
Quercetin-3'-glucuronide,1TMS,isomer #7C[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O)C1O4444.4Semi standard non polar33892256
Quercetin-3'-glucuronide,1TMS,isomer #8C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O)C(O)C1O4412.7Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #1C[Si](C)(C)OC1C(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)OC(C(=O)O)C(O)C1O[Si](C)(C)C4336.1Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #10C[Si](C)(C)OC1C(=O)C2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C)=C14305.5Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #11C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C4329.9Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #12C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O4310.2Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #13C[Si](C)(C)OC1C(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)OC(C(=O)O)C(O[Si](C)(C)C)C1O4318.7Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #14C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3)OC2=C14324.7Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #15C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O)C(O)C1O4373.7Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #16C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C1OC1OC(C(=O)O)C(O)C(O)C1O4316.7Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #17C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O4309.3Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #18C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O4306.5Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #19C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3)O2)C(O[Si](C)(C)C)=C14355.0Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #2C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3)OC2=C14310.7Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #20C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O)C(O)C1O4305.3Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #21C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3)OC2=C14303.6Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #22C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3)OC2=C14304.5Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #23C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[Si](C)(C)C)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C1)O24375.9Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #24C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O)C(O)C(O)C1O4352.7Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #25C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C1)O24351.7Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #26C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O4282.8Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #27C[Si](C)(C)OC1C(=O)C2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O)=C14277.5Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #28C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C4306.1Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #3C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C1)O24339.0Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #4C[Si](C)(C)OC1C(=O)C2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O)=C14273.0Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #5C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O4299.9Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #6C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O4288.8Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #7C[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O)C1O[Si](C)(C)C4310.6Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #8C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3)OC2=C14330.5Semi standard non polar33892256
Quercetin-3'-glucuronide,2TMS,isomer #9C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C1)O24375.8Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #1C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)OC2=C14201.3Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #10C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3)OC2=C14173.7Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #11C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3)OC2=C14133.1Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #12C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[Si](C)(C)C)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C1)O24172.6Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #13C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O4184.8Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #14C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O4168.3Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #15C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C1)O24207.0Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #16C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O4134.3Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #17C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O4125.2Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #18C[Si](C)(C)OC1C(=O)C2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C14154.9Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #19C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4144.3Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #2C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C1)O24229.4Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #20C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4163.2Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #21C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4188.5Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #22C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C14219.4Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #23C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3)OC2=C14199.3Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #24C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O4187.5Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #25C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3)OC2=C14184.1Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #26C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3)OC2=C14169.5Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #27C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[Si](C)(C)C)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C1)O24230.3Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #28C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C4241.5Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #29C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O4232.5Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #3C[Si](C)(C)OC1C(=O)C2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14172.9Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #30C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C1)O24233.3Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #31C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C4181.4Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #32C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O4174.3Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #33C[Si](C)(C)OC1C(=O)C2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C14182.6Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #34C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4192.4Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #35C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4190.0Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #36C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4208.3Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #37C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3)O2)C(O[Si](C)(C)C)=C14228.3Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #38C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O4167.8Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #39C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3)OC2=C14168.0Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #4C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4198.5Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #40C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3)OC2=C14170.4Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #41C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C1OC1OC(C(=O)O)C(O)C(O)C1O4229.9Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #42C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O4211.4Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #43C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O4208.9Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #44C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O4153.0Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #45C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O4156.7Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #46C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4184.1Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #47C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3)O2)C(O[Si](C)(C)C)=C14185.1Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #48C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O)C(O)C(O)C1O4185.5Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #49C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3)O2)C(O[Si](C)(C)C)=C14187.9Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #5C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4199.9Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #50C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O4134.1Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #51C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C4183.3Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #52C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3)OC2=C14137.4Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #53C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O4197.9Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #54C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[Si](C)(C)C)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C1)O24205.7Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #55C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C4218.7Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #56C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C4162.5Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #6C[Si](C)(C)OC1C(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4223.8Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #7C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3)O2)C(O[Si](C)(C)C)=C14189.1Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #8C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3)OC2=C14167.9Semi standard non polar33892256
Quercetin-3'-glucuronide,3TMS,isomer #9C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O4172.7Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #1C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C14138.6Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #10C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4101.3Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #11C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4096.1Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #12C[Si](C)(C)OC1C(=O)C2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14114.7Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #13C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4126.1Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #14C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4132.8Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #15C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4154.8Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #16C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3)O2)C(O[Si](C)(C)C)=C14066.4Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #17C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3)O2)C(O[Si](C)(C)C)=C14109.1Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #18C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O4101.2Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #19C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3)O2)C(O[Si](C)(C)C)=C14118.5Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #2C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)OC2=C14116.5Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #20C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4074.0Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #21C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3)OC2=C14086.7Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #22C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3)OC2=C14064.5Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #23C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O4031.3Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #24C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4104.7Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #25C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3)OC2=C14059.1Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #26C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O4081.5Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #27C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O4053.0Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #28C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[Si](C)(C)C)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C1)O24092.5Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #29C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4078.6Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #3C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4114.1Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #30C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4110.0Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #31C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4130.2Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #32C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4037.9Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #33C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4075.6Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #34C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4081.3Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #35C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4111.1Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #36C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C14109.1Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #37C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C14147.3Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #38C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O4132.4Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #39C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C14133.3Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #4C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)OC2=C14125.6Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #40C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4113.8Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #41C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3)OC2=C14108.6Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #42C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3)OC2=C14112.7Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #43C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O4072.5Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #44C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4138.3Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #45C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3)OC2=C14083.1Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #46C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C4145.3Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #47C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O4135.4Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #48C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[Si](C)(C)C)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C1)O24129.4Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #49C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4155.5Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #5C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)OC2=C14085.8Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #50C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4142.7Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #51C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4172.3Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #52C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4116.5Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #53C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4111.4Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #54C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4117.3Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #55C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4148.1Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #56C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3)O2)C(O[Si](C)(C)C)=C14109.4Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #57C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O4098.1Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #58C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3)O2)C(O[Si](C)(C)C)=C14112.0Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #59C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O4051.4Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #6C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[Si](C)(C)C)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C1)O24115.2Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #60C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4097.9Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #61C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3)OC2=C14076.5Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #62C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O4103.5Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #63C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O4119.5Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #64C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4135.4Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #65C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4097.0Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #66C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O4058.6Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #67C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3)O2)C(O[Si](C)(C)C)=C14078.2Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #68C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C4116.7Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #69C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C4062.0Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #7C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4137.5Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #70C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C4116.2Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #8C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4145.1Semi standard non polar33892256
Quercetin-3'-glucuronide,4TMS,isomer #9C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C1)O24149.1Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #1C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C14025.3Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #10C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)OC2=C14025.1Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #11C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4056.2Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #12C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4019.2Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #13C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[Si](C)(C)C)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C1)O24068.0Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #14C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4063.7Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #15C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4090.5Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #16C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4096.4Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #17C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4027.8Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #18C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4058.9Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #19C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4048.7Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #2C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C14070.6Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #20C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4089.6Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #21C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)=C3)O2)C(O[Si](C)(C)C)=C14011.5Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #22C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O3978.8Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #23C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3)O2)C(O[Si](C)(C)C)=C14013.0Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #24C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4027.1Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #25C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3)O2)C(O[Si](C)(C)C)=C14055.2Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #26C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4054.7Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #27C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3964.4Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #28C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4028.6Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #29C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3)OC2=C14003.1Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #3C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4062.7Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #30C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3976.6Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #31C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3976.3Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #32C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4031.4Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #33C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4005.0Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #34C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4046.7Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #35C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4013.5Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #36C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C14052.8Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #37C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O4012.4Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #38C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C14031.0Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #39C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4059.3Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #4C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C14074.7Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #40C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C14074.6Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #41C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4093.2Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #42C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4014.7Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #43C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4078.7Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #44C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3)OC2=C14033.1Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #45C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4024.0Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #46C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4057.7Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #47C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4062.7Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #48C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4048.7Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #49C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4095.2Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #5C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4041.7Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #50C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4051.4Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #51C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O3990.1Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #52C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)=C3)O2)C(O[Si](C)(C)C)=C14027.4Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #53C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4052.0Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #54C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4007.2Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #55C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4036.1Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #56C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C4004.9Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #6C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)OC2=C14060.5Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #7C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3)OC2=C14024.7Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #8C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3993.0Semi standard non polar33892256
Quercetin-3'-glucuronide,5TMS,isomer #9C[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4063.3Semi standard non polar33892256
Quercetin-3'-glucuronide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(O)C(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)OC(C(=O)O)C1O4747.2Semi standard non polar33892256
Quercetin-3'-glucuronide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)OC(C(=O)O)C(O)C1O4747.9Semi standard non polar33892256
Quercetin-3'-glucuronide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O)C(O)C1O4705.0Semi standard non polar33892256
Quercetin-3'-glucuronide,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3)OC2=C14727.0Semi standard non polar33892256
Quercetin-3'-glucuronide,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C1)O24726.9Semi standard non polar33892256
Quercetin-3'-glucuronide,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(=O)C2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(C(=O)O)C(O)C(O)C2O)=C14719.6Semi standard non polar33892256
Quercetin-3'-glucuronide,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O)C1O4727.6Semi standard non polar33892256
Quercetin-3'-glucuronide,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O)C(O)C1O4704.1Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)OC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C4798.1Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1C(=O)C2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C14758.6Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4770.8Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4763.5Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1C(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O4779.9Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3)OC2=C14783.9Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O)C(O)C1O4791.2Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C1OC1OC(C(=O)O)C(O)C(O)C1O4749.2Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4756.4Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4741.1Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14791.4Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3)OC2=C14772.5Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O)C(O)C1O4762.9Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3)OC2=C14755.2Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3)OC2=C14748.2Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C1)O24790.5Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C3O)=CC=C2O)C(O)C(O)C1O4774.1Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C1)O24773.3Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O[Si](C)(C)C(C)(C)C)=CC=C2O)C(O)C(O)C1O4734.1Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1C(=O)C2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C14726.9Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4760.4Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C1)O24789.8Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1C(=O)C2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C14743.5Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4757.2Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4772.4Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O)C1O[Si](C)(C)C(C)(C)C4760.9Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3)OC2=C14776.6Semi standard non polar33892256
Quercetin-3'-glucuronide,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C1)O24800.6Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3)OC2=C14857.9Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C3)OC2=C14843.0Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3)OC2=C14805.9Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C1)O24810.6Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4866.9Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4854.5Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)C(C1=CC=C(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)=C1)O24843.1Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4777.9Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O[Si](C)(C)C(C)(C)C)=CC=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4777.8Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1C(=O)C2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C14741.8Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4844.0Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)C(C1=CC=C(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)=C1)O24865.1Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4812.8Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4840.3Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14881.4Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3)OC2=C14873.0Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4858.7Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C3)OC2=C14844.9Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3)OC2=C14792.4Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C1)O24823.3Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4879.6Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C3O)=CC=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4865.1Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(=O)C2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C14770.1Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)C(C1=CC=C(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)=C1)O24857.6Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4799.6Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O[Si](C)(C)C(C)(C)C)=CC=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4783.2Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1C(=O)C2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C14766.7Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4846.9Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4829.5Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #36CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4867.3Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #37CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14915.6Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #38CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4872.9Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #39CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3)OC2=C14851.2Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4839.1Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #40CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3)OC2=C14844.2Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #41CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C1OC1OC(C(=O)O)C(O)C(O)C1O4850.3Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #42CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4879.2Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #43CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)C=C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4847.6Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #44CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O[Si](C)(C)C(C)(C)C)=CC=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4808.9Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #45CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4766.0Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #46CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4837.7Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #47CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14838.7Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #48CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C3O)=CC=C2O)C(O)C(O)C1O4871.9Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #49CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14858.8Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4849.6Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #50CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C(=O)C3O[Si](C)(C)C(C)(C)C)=CC=C2O)C(O)C(O)C1O4799.7Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #51CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4859.8Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #52CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3)OC2=C14770.8Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #53CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C3O[Si](C)(C)C(C)(C)C)=CC=C2O)C(O)C(O)C1O4827.8Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #54CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C1)O24795.7Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #55CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C3O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4852.5Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #56CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O[Si](C)(C)C(C)(C)C)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4777.1Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(OC2=CC(C3OC4=CC(O)=CC(O)=C4C(=O)C3O)=CC=C2O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4821.4Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C14903.3Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3)OC2=C14877.7Semi standard non polar33892256
Quercetin-3'-glucuronide,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(C3OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C(=O)C3O)=CC=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4885.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin-3'-glucuronide GC-MS (Non-derivatized) - 70eV, Positivesplash10-03di-8309400000-d0b1e99732d72afad85c2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin-3'-glucuronide GC-MS (3 TMS) - 70eV, Positivesplash10-001i-3604029000-1d8017883d8c874797182017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin-3'-glucuronide GC-MS (TMS_4_12) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin-3'-glucuronide GC-MS (TMS_5_10) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin-3'-glucuronide GC-MS (TBDMS_3_38) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin-3'-glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin-3'-glucuronide GC-MS ("Quercetin-3'-glucuronide,4TMS,#12" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-3'-glucuronide 10V, Positive-QTOFsplash10-0bt9-0136900000-f5424a00e910fcc184ea2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-3'-glucuronide 20V, Positive-QTOFsplash10-0a4r-0978200000-2f4df21043be8d768a632017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-3'-glucuronide 40V, Positive-QTOFsplash10-05g0-0910000000-7f02fb8f9a1f48f4cfa52017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-3'-glucuronide 10V, Negative-QTOFsplash10-0fb9-1404900000-1df6edbfb5346e7ef4d82017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-3'-glucuronide 20V, Negative-QTOFsplash10-0udi-2839500000-12e44f3dd8b0561104602017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-3'-glucuronide 40V, Negative-QTOFsplash10-0udi-3914000000-fc2bcafe65a8e62ee0ba2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-3'-glucuronide 10V, Positive-QTOFsplash10-001i-0000900000-07288a61fb99106c421e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-3'-glucuronide 20V, Positive-QTOFsplash10-0uea-0900400000-422b624df83294d049b82021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-3'-glucuronide 40V, Positive-QTOFsplash10-0udi-0902000000-34bf3213ae035f8a9cf52021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-3'-glucuronide 10V, Negative-QTOFsplash10-004i-0000900000-0d185c6a414d8a0f3c6c2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-3'-glucuronide 20V, Negative-QTOFsplash10-0fb9-0900800000-ed114e75b2461d93dfe22021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin-3'-glucuronide 40V, Negative-QTOFsplash10-004i-0409000000-96ebdbc759be3a0c980e2021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB031402
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131750813
PDB IDNot Available
ChEBI ID131700
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