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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2013-07-09 16:18:00 UTC

Update Date

2021-09-14 14:59:23 UTC

HMDB ID

HMDB0061096

Secondary Accession Numbers

HMDB61096

Metabolite Identification

Common Name

3-hydroxyguanfacine glucuronide

Description

3-hydroxyguanfacine glucuronide belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. 3-hydroxyguanfacine glucuronide is an extremely strong basic compound (based on its pKa). 3-hydroxyguanfacine glucuronide is a metabolite of guanfacine. Guanfacine (brand name Tenex, and the extended release Intuniv) is a sympatholytic. These receptors are concentrated heavily in the prefrontal cortex and the locus coeruleus, with the potential to improve attention abilities via modulating post-synaptic α2A receptors in the prefrontal cortex. It is a selective α2A receptor agonist.

Structure

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

  Mrv0541 07091309172D          

 29 30  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  8  5  2  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 12 13  1  1  0  0  0
 14 11  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 15  2  0  0  0  0
 19 15  1  0  0  0  0
 20  6  2  0  0  0  0
 20 15  1  4  0  0  0
 21  4  1  0  0  0  0
 22  6  1  0  0  0  0
  9 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 26 13  2  0  0  0  0
 27 13  1  0  0  0  0
 28  5  1  0  0  0  0
 14 28  1  1  0  0  0
 29 12  1  0  0  0  0
 29 14  1  0  0  0  0
M  END

HMDB0061096
     RDKit          3D
3-hydroxyguanfacine glucuronide
 46 47  0  0  0  0  0  0  0  0999 V2000
    7.8132    0.3527   -1.0072 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7413    0.9224   -0.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4021    2.2444   -0.9645 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8765    0.2371    0.2998 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6882    0.6740    0.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2877    1.8623    0.0157 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8081   -0.0736    1.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5456   -0.4789    0.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6344   -1.5497   -0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413   -2.3799   -0.3223 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5128   -1.9811   -0.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5096   -3.0462   -1.5753 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3112   -1.3160   -0.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2040   -0.2503    0.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9603    0.4391    0.6954 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1722    0.1615    0.1404 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0554   -0.2649    1.1725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1492   -0.8092    0.5003 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9488   -1.6985    1.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5978   -1.8704    2.5505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0762   -2.3275    0.8654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9724    0.3924    0.0198 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.2319    0.0316   -0.3865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1513    1.0252   -1.0933 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7506    2.2010   -1.5638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7811    1.3451   -0.5921 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9629    1.6081   -1.6893 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3840    0.1625    1.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2803    1.5264    2.1985 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0524   -0.6191   -0.7149 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3510    3.0519   -0.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1995    2.3785   -1.9918 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7196    1.8210   -0.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3663   -0.9600    1.8854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5961    0.5540    2.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3436   -3.5689   -1.7932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5808   -1.6787   -0.9801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1668   -0.6745   -0.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7544   -1.3800   -0.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0066   -3.2955    0.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9997    1.1347    0.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7762   -0.1067    0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0555    0.2688   -1.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3084    1.9428   -2.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7981    2.2583    0.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5120    1.7339   -2.5232 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 18 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 14 28  2  0
 28 29  1  0
 28  8  1  0
 26 16  1  0
  1 30  1  0
  3 31  1  0
  3 32  1  0
  6 33  1  0
  7 34  1  0
  7 35  1  0
 12 36  1  0
 13 37  1  0
 16 38  1  6
 18 39  1  6
 21 40  1  0
 22 41  1  1
 23 42  1  0
 24 43  1  6
 25 44  1  0
 26 45  1  1
 27 46  1  0
M  END

  Mrv0541 07091309172D          

 29 30  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  8  5  2  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 12 13  1  1  0  0  0
 14 11  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 15  2  0  0  0  0
 19 15  1  0  0  0  0
 20  6  2  0  0  0  0
 20 15  1  4  0  0  0
 21  4  1  0  0  0  0
 22  6  1  0  0  0  0
  9 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 26 13  2  0  0  0  0
 27 13  1  0  0  0  0
 28  5  1  0  0  0  0
 14 28  1  1  0  0  0
 29 12  1  0  0  0  0
 29 14  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0061096

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)=C1Cl

> <INCHI_IDENTIFIER>
InChI=1S/C15H17Cl2N3O9/c16-7-3(1-6(22)20-15(18)19)8(17)5(2-4(7)21)28-14-11(25)9(23)10(24)12(29-14)13(26)27/h2,9-12,14,21,23-25H,1H2,(H,26,27)(H4,18,19,20,22)/t9-,10-,11+,12-,14+/m1/s1

> <INCHI_KEY>
AUDUMKPECIWTMB-DIACKHNESA-N

> <FORMULA>
C15H17Cl2N3O9

> <MOLECULAR_WEIGHT>
454.216

> <EXACT_MASS>
453.034184571

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
39.698794996995886

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4R,5S,6R)-6-{3-[(carbamimidoyl-C-hydroxycarbonimidoyl)methyl]-2,4-dichloro-5-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
0.15

> <JCHEM_LOGP>
-2.068242809458594

> <ALOGPS_LOGS>
-3.32

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.0632011612304404

> <JCHEM_PKA_STRONGEST_ACIDIC>
-0.0027610533316053676

> <JCHEM_PKA_STRONGEST_BASIC>
15.008833966887167

> <JCHEM_POLAR_SURFACE_AREA>
219.13999999999996

> <JCHEM_REFRACTIVITY>
106.12939999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.15e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,4R,5S,6R)-6-{3-[(carbamimidoyl-C-hydroxycarbonimidoyl)methyl]-2,4-dichloro-5-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0061096
     RDKit          3D
3-hydroxyguanfacine glucuronide
 46 47  0  0  0  0  0  0  0  0999 V2000
    7.8132    0.3527   -1.0072 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7413    0.9224   -0.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4021    2.2444   -0.9645 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8765    0.2371    0.2998 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6882    0.6740    0.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2877    1.8623    0.0157 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8081   -0.0736    1.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5456   -0.4789    0.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6344   -1.5497   -0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413   -2.3799   -0.3223 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5128   -1.9811   -0.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5096   -3.0462   -1.5753 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3112   -1.3160   -0.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2040   -0.2503    0.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9603    0.4391    0.6954 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1722    0.1615    0.1404 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0554   -0.2649    1.1725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1492   -0.8092    0.5003 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9488   -1.6985    1.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5978   -1.8704    2.5505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0762   -2.3275    0.8654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9724    0.3924    0.0198 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.2319    0.0316   -0.3865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1513    1.0252   -1.0933 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7506    2.2010   -1.5638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7811    1.3451   -0.5921 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9629    1.6081   -1.6893 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3840    0.1625    1.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2803    1.5264    2.1985 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0524   -0.6191   -0.7149 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3510    3.0519   -0.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1995    2.3785   -1.9918 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7196    1.8210   -0.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3663   -0.9600    1.8854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5961    0.5540    2.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3436   -3.5689   -1.7932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5808   -1.6787   -0.9801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1668   -0.6745   -0.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7544   -1.3800   -0.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0066   -3.2955    0.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9997    1.1347    0.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7762   -0.1067    0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0555    0.2688   -1.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3084    1.9428   -2.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7981    2.2583    0.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5120    1.7339   -2.5232 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 18 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 14 28  2  0
 28 29  1  0
 28  8  1  0
 26 16  1  0
  1 30  1  0
  3 31  1  0
  3 32  1  0
  6 33  1  0
  7 34  1  0
  7 35  1  0
 12 36  1  0
 13 37  1  0
 16 38  1  6
 18 39  1  6
 21 40  1  0
 22 41  1  1
 23 42  1  0
 24 43  1  6
 25 44  1  0
 26 45  1  1
 27 46  1  0
M  END

HEADER    PROTEIN                                 09-JUL-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-JUL-13         0                                  
HETATM    1  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.669   6.160   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.336   6.930   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.336   8.470   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM   16 Cl   UNK     0       1.334   6.930   0.000  0.00  0.00          Cl+0
HETATM   17 Cl   UNK     0       4.001   2.310   0.000  0.00  0.00          Cl+0
HETATM   18  N   UNK     0      -1.334   8.470   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0      -2.667   6.160   0.000  0.00  0.00           N+0
HETATM   20  N   UNK     0       0.000   6.160   0.000  0.00  0.00           N+0
HETATM   21  O   UNK     0       4.001   8.470   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      12.003   3.850   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      12.003   6.930   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       8.002   9.240   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      10.669   9.240   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       8.002   6.160   0.000  0.00  0.00           O+0
CONECT    1    3    6                                                       
CONECT    2    4    5                                                       
CONECT    3    1    7    8                                                  
CONECT    4    2    7   21                                                  
CONECT    5    2    8   28                                                  
CONECT    6    1   20   22                                                  
CONECT    7    3    4   16                                                  
CONECT    8    3    5   17                                                  
CONECT    9   10   11   23                                                  
CONECT   10    9   12   24                                                  
CONECT   11    9   14   25                                                  
CONECT   12   10   13   29                                                  
CONECT   13   12   26   27                                                  
CONECT   14   11   28   29                                                  
CONECT   15   18   19   20                                                  
CONECT   16    7                                                            
CONECT   17    8                                                            
CONECT   18   15                                                            
CONECT   19   15                                                            
CONECT   20    6   15                                                       
CONECT   21    4                                                            
CONECT   22    6                                                            
CONECT   23    9                                                            
CONECT   24   10                                                            
CONECT   25   11                                                            
CONECT   26   13                                                            
CONECT   27   13                                                            
CONECT   28    5   14                                                       
CONECT   29   12   14                                                       
MASTER        0    0    0    0    0    0    0    0   29    0   60    0
END

COMPND    HMDB0061096
HETATM    1  N1  UNL     1       7.813   0.353  -1.007  1.00  0.00           N  
HETATM    2  C1  UNL     1       6.741   0.922  -0.576  1.00  0.00           C  
HETATM    3  N2  UNL     1       6.402   2.244  -0.965  1.00  0.00           N  
HETATM    4  N3  UNL     1       5.876   0.237   0.300  1.00  0.00           N  
HETATM    5  C2  UNL     1       4.688   0.674   0.598  1.00  0.00           C  
HETATM    6  O1  UNL     1       4.288   1.862   0.016  1.00  0.00           O  
HETATM    7  C3  UNL     1       3.808  -0.074   1.522  1.00  0.00           C  
HETATM    8  C4  UNL     1       2.546  -0.479   0.850  1.00  0.00           C  
HETATM    9  C5  UNL     1       2.634  -1.550  -0.024  1.00  0.00           C  
HETATM   10 CL1  UNL     1       4.141  -2.380  -0.322  1.00  0.00          CL  
HETATM   11  C6  UNL     1       1.513  -1.981  -0.682  1.00  0.00           C  
HETATM   12  O2  UNL     1       1.510  -3.046  -1.575  1.00  0.00           O  
HETATM   13  C7  UNL     1       0.311  -1.316  -0.441  1.00  0.00           C  
HETATM   14  C8  UNL     1       0.204  -0.250   0.425  1.00  0.00           C  
HETATM   15  O3  UNL     1      -0.960   0.439   0.695  1.00  0.00           O  
HETATM   16  C9  UNL     1      -2.172   0.162   0.140  1.00  0.00           C  
HETATM   17  O4  UNL     1      -3.055  -0.265   1.173  1.00  0.00           O  
HETATM   18  C10 UNL     1      -4.149  -0.809   0.500  1.00  0.00           C  
HETATM   19  C11 UNL     1      -4.949  -1.698   1.372  1.00  0.00           C  
HETATM   20  O5  UNL     1      -4.598  -1.870   2.551  1.00  0.00           O  
HETATM   21  O6  UNL     1      -6.076  -2.328   0.865  1.00  0.00           O  
HETATM   22  C12 UNL     1      -4.972   0.392   0.020  1.00  0.00           C  
HETATM   23  O7  UNL     1      -6.232   0.032  -0.387  1.00  0.00           O  
HETATM   24  C13 UNL     1      -4.151   1.025  -1.093  1.00  0.00           C  
HETATM   25  O8  UNL     1      -4.751   2.201  -1.564  1.00  0.00           O  
HETATM   26  C14 UNL     1      -2.781   1.345  -0.592  1.00  0.00           C  
HETATM   27  O9  UNL     1      -1.963   1.608  -1.689  1.00  0.00           O  
HETATM   28  C15 UNL     1       1.384   0.162   1.082  1.00  0.00           C  
HETATM   29 CL2  UNL     1       1.280   1.526   2.198  1.00  0.00          CL  
HETATM   30  H1  UNL     1       8.052  -0.619  -0.715  1.00  0.00           H  
HETATM   31  H2  UNL     1       6.351   3.052  -0.287  1.00  0.00           H  
HETATM   32  H3  UNL     1       6.199   2.379  -1.992  1.00  0.00           H  
HETATM   33  H4  UNL     1       3.720   1.821  -0.843  1.00  0.00           H  
HETATM   34  H5  UNL     1       4.366  -0.960   1.885  1.00  0.00           H  
HETATM   35  H6  UNL     1       3.596   0.554   2.429  1.00  0.00           H  
HETATM   36  H7  UNL     1       2.344  -3.569  -1.793  1.00  0.00           H  
HETATM   37  H8  UNL     1      -0.581  -1.679  -0.980  1.00  0.00           H  
HETATM   38  H9  UNL     1      -2.167  -0.675  -0.565  1.00  0.00           H  
HETATM   39  H10 UNL     1      -3.754  -1.380  -0.373  1.00  0.00           H  
HETATM   40  H11 UNL     1      -6.007  -3.295   0.554  1.00  0.00           H  
HETATM   41  H12 UNL     1      -5.000   1.135   0.868  1.00  0.00           H  
HETATM   42  H13 UNL     1      -6.776  -0.107   0.449  1.00  0.00           H  
HETATM   43  H14 UNL     1      -4.056   0.269  -1.910  1.00  0.00           H  
HETATM   44  H15 UNL     1      -5.308   1.943  -2.352  1.00  0.00           H  
HETATM   45  H16 UNL     1      -2.798   2.258   0.035  1.00  0.00           H  
HETATM   46  H17 UNL     1      -2.512   1.734  -2.523  1.00  0.00           H  
CONECT    1    2    2   30
CONECT    2    3    4
CONECT    3   31   32
CONECT    4    5    5
CONECT    5    6    7
CONECT    6   33
CONECT    7    8   34   35
CONECT    8    9    9   28
CONECT    9   10   11
CONECT   11   12   13   13
CONECT   12   36
CONECT   13   14   37
CONECT   14   15   28   28
CONECT   15   16
CONECT   16   17   26   38
CONECT   17   18
CONECT   18   19   22   39
CONECT   19   20   20   21
CONECT   21   40
CONECT   22   23   24   41
CONECT   23   42
CONECT   24   25   26   43
CONECT   25   44
CONECT   26   27   45
CONECT   27   46
CONECT   28   29
END

HMDB0061096
     RDKit          3D
3-hydroxyguanfacine glucuronide
 46 47  0  0  0  0  0  0  0  0999 V2000
    7.8132    0.3527   -1.0072 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7413    0.9224   -0.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4021    2.2444   -0.9645 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8765    0.2371    0.2998 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6882    0.6740    0.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2877    1.8623    0.0157 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8081   -0.0736    1.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5456   -0.4789    0.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6344   -1.5497   -0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413   -2.3799   -0.3223 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5128   -1.9811   -0.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5096   -3.0462   -1.5753 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3112   -1.3160   -0.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2040   -0.2503    0.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9603    0.4391    0.6954 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1722    0.1615    0.1404 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0554   -0.2649    1.1725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1492   -0.8092    0.5003 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9488   -1.6985    1.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5978   -1.8704    2.5505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0762   -2.3275    0.8654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9724    0.3924    0.0198 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.2319    0.0316   -0.3865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1513    1.0252   -1.0933 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7506    2.2010   -1.5638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7811    1.3451   -0.5921 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9629    1.6081   -1.6893 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3840    0.1625    1.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2803    1.5264    2.1985 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0524   -0.6191   -0.7149 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3510    3.0519   -0.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1995    2.3785   -1.9918 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7196    1.8210   -0.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3663   -0.9600    1.8854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5961    0.5540    2.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3436   -3.5689   -1.7932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5808   -1.6787   -0.9801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1668   -0.6745   -0.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7544   -1.3800   -0.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0066   -3.2955    0.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9997    1.1347    0.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7762   -0.1067    0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0555    0.2688   -1.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3084    1.9428   -2.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7981    2.2583    0.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5120    1.7339   -2.5232 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 18 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 14 28  2  0
 28 29  1  0
 28  8  1  0
 26 16  1  0
  1 30  1  0
  3 31  1  0
  3 32  1  0
  6 33  1  0
  7 34  1  0
  7 35  1  0
 12 36  1  0
 13 37  1  0
 16 38  1  6
 18 39  1  6
 21 40  1  0
 22 41  1  1
 23 42  1  0
 24 43  1  6
 25 44  1  0
 26 45  1  1
 27 46  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₁₅H₁₇Cl₂N₃O₉

Average Molecular Weight

454.216

Monoisotopic Molecular Weight

453.034184571

IUPAC Name

(2R,3R,4R,5S,6R)-6-{3-[(carbamimidoyl-C-hydroxycarbonimidoyl)methyl]-2,4-dichloro-5-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Traditional Name

(2R,3R,4R,5S,6R)-6-{3-[(carbamimidoyl-C-hydroxycarbonimidoyl)methyl]-2,4-dichloro-5-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)=C1Cl

InChI Identifier

InChI=1S/C15H17Cl2N3O9/c16-7-3(1-6(22)20-15(18)19)8(17)5(2-4(7)21)28-14-11(25)9(23)10(24)12(29-14)13(26)27/h2,9-12,14,21,23-25H,1H2,(H,26,27)(H4,18,19,20,22)/t9-,10-,11+,12-,14+/m1/s1

InChI Key

AUDUMKPECIWTMB-DIACKHNESA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Phenolic glycosides

Alternative Parents

Substituents

Phenolic glycoside
1-o-glucuronide
O-glucuronide
Glucuronic acid or derivatives
Hexose monosaccharide
O-glycosyl compound
1,3-dichlorobenzene
4-halophenol
2-halophenol
Phenoxy compound
2-chlorophenol
4-chlorophenol
Phenol ether
Beta-hydroxy acid
Chlorobenzene
Halobenzene
1-hydroxy-2-unsubstituted benzenoid
Phenol
Benzenoid
Oxane
Pyran
Aryl halide
Monocyclic benzene moiety
Hydroxy acid
Aryl chloride
Monosaccharide
Secondary alcohol
Polyol
Carboximidamide
Acetal
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Monocarboxylic acid or derivatives
Propargyl-type 1,3-dipolar organic compound
Alcohol
Hydrocarbon derivative
Organic nitrogen compound
Organonitrogen compound
Organic oxide
Carbonyl group
Organopnictogen compound
Imine
Organohalogen compound
Organochloride
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0061096)

Organ

Kidney (HMDB: HMDB0061096)
Liver (HMDB: HMDB0061096)

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0061096)

Cellular substructure

Cytoplasm (HMDB: HMDB0061096)

Source

Endogenous

Endogenous (HMDB: HMDB0061096)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.22 g/L	ALOGPS
logP	0.15	ALOGPS
logP	-2.1	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	-0.0028	ChemAxon
pKa (Strongest Basic)	15.01	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	219.14 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	106.13 m³·mol⁻¹	ChemAxon
Polarizability	39.7 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	190.494	30932474
DeepCCS	[M-H]-	188.382	30932474
DeepCCS	[M-2H]-	221.622	30932474
DeepCCS	[M+Na]+	196.657	30932474
AllCCS	[M+H]+	192.8	32859911
AllCCS	[M+H-H2O]+	190.6	32859911
AllCCS	[M+NH4]+	194.7	32859911
AllCCS	[M+Na]+	195.2	32859911
AllCCS	[M-H]-	190.6	32859911
AllCCS	[M+Na-2H]-	191.1	32859911
AllCCS	[M+HCOO]-	191.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
3-hydroxyguanfacine glucuronide	NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)=C1Cl	5216.2	Standard polar	33892256
3-hydroxyguanfacine glucuronide	NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)=C1Cl	3225.6	Standard non polar	33892256
3-hydroxyguanfacine glucuronide	NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)=C1Cl	3947.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
3-hydroxyguanfacine glucuronide,1TMS,isomer #1	C[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)=NC(=N)N	3619.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C(Cl)C(CC(O)=NC(=N)N)=C1Cl	3713.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,1TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)O[C@H]1C(=O)O	3669.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,1TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)O[C@@H](C(=O)O)[C@@H]1O	3674.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,1TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)O[C@@H](C(=O)O)[C@H](O)[C@H]1O	3677.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,1TMS,isomer #6	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O	3640.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,1TMS,isomer #7	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl	3828.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,1TMS,isomer #8	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl	3675.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #1	C[Si](C)(C)OC(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)=NC(=N)N	3600.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #10	C[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C(Cl)C(CC(O)=NC(=N)N)=C1Cl	3647.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #11	C[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N)=C1Cl	3649.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #12	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl	3788.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #13	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl	3649.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #14	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)O[C@@H](C(=O)O)[C@@H]1O[Si](C)(C)C	3588.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@H]1O	3594.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #16	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3586.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #17	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl	3721.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #18	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl	3600.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #19	C[Si](C)(C)O[C@@H]1[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)O[C@@H](C(=O)O)[C@H](O)[C@H]1O[Si](C)(C)C	3591.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(=NC(=N)N)O[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O	3531.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #20	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3558.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #21	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl	3717.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #22	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl	3592.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #23	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3579.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #24	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl	3724.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #25	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl	3595.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #26	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl	3713.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #27	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl	3574.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #28	C[Si](C)(C)N(C(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)[Si](C)(C)C	3800.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #29	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)N[Si](C)(C)C	3677.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #3	C[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl)=NC(=N)N	3546.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #4	C[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)=NC(=N)N	3547.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #5	C[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)=NC(=N)N	3551.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #6	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C	3665.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #7	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C	3534.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O	3617.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TMS,isomer #9	C[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=C(Cl)C(CC(O)=NC(=N)N)=C1Cl	3650.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(=NC(=N)N)O[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O	3537.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #10	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C	3593.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #11	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C	3455.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #12	C[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)=NC(=N)N	3485.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #13	C[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)=NC(=N)N	3497.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #14	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C	3589.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #15	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C	3469.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #16	C[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)=NC(=N)N	3476.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #17	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)O[Si](C)(C)C	3572.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #18	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)O[Si](C)(C)C	3453.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #19	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3585.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #2	C[Si](C)(C)OC(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)=NC(=N)N	3552.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #20	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3462.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #21	C[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C	3625.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #22	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3522.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #23	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3564.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #24	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3547.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #25	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3569.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #26	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl	3691.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #27	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl	3559.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #28	C[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C(Cl)C(CC(O)=NC(=N)N)=C1Cl	3579.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #29	C[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N)=C1Cl	3587.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #3	C[Si](C)(C)OC(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)=NC(=N)N	3535.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #30	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl	3712.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #31	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl	3595.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #32	C[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N)=C1Cl	3577.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #33	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl	3702.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #34	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl	3577.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #35	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl	3711.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #36	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl	3588.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #37	C[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C1Cl	3752.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #38	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3647.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #39	C[Si](C)(C)O[C@@H]1[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3534.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #4	C[Si](C)(C)OC(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)=NC(=N)N	3549.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #40	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3527.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #41	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl	3630.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #42	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl	3530.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #43	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3554.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #44	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl	3638.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #45	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl	3541.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #46	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl	3641.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #47	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl	3528.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #48	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C2Cl)O[C@H]1C(=O)O	3677.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #49	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl)N[Si](C)(C)C	3587.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #5	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3651.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #50	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3520.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #51	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl	3628.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #52	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl	3523.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #53	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl	3602.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #54	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl	3512.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #55	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C2Cl)O[C@@H](C(=O)O)[C@@H]1O	3666.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #56	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)N[Si](C)(C)C	3570.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #57	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl	3629.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #58	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl	3524.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #59	C[Si](C)(C)O[C@@H]1[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C2Cl)O[C@@H](C(=O)O)[C@H](O)[C@H]1O	3678.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #6	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3515.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #60	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3582.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #61	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O	3660.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #62	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)N[Si](C)(C)C	3577.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #63	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3677.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #7	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(=NC(=N)N)O[Si](C)(C)C)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3494.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(=NC(=N)N)O[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3475.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TMS,isomer #9	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(=NC(=N)N)O[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3494.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(=NC(=N)N)O[Si](C)(C)C)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3521.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #10	C[Si](C)(C)OC(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)=NC(=N)N	3500.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #11	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3570.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #12	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3470.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #13	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3571.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #14	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3453.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #15	C[Si](C)(C)OC(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C	3591.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #16	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3498.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #17	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(=NC(=N)N)O[Si](C)(C)C)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3488.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #18	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(=NC(=N)N)O[Si](C)(C)C)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3514.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #19	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3546.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(=NC(=N)N)O[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3506.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #20	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3448.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #21	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(=NC(=N)N)O[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3484.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #22	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)O[Si](C)(C)C	3533.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #23	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)O[Si](C)(C)C	3443.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #24	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C	3546.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #25	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C	3442.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #26	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O	3542.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #27	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3451.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #28	C[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)=NC(=N)N	3471.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #29	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)O[Si](C)(C)C	3532.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(=NC(=N)N)O[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3516.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #30	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)O[Si](C)(C)C	3442.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #31	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3549.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #32	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3456.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #33	C[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C	3551.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #34	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3453.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #35	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3526.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #36	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3430.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #37	C[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C	3560.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #38	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3458.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #39	C[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C	3540.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #4	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3573.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #40	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3449.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #41	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3508.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #42	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3546.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #43	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3571.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #44	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl	3626.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #45	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl	3528.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #46	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3549.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #47	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl	3615.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #48	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl	3526.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #49	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl	3638.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #5	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3428.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #50	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl	3531.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #51	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O	3618.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #52	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3543.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #53	C[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N)=C1Cl	3557.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #54	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl	3645.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #55	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl	3548.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #56	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl	3654.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #57	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl	3559.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #58	C[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C1Cl	3655.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #59	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3562.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #6	C[Si](C)(C)OC(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)=NC(=N)N	3505.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #60	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl	3641.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #61	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl	3540.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #62	C[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C1Cl	3656.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #63	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3562.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #64	C[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C1Cl	3648.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #65	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3555.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #66	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3634.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #67	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3526.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #68	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl	3600.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #69	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl	3515.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #7	C[Si](C)(C)OC(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)=NC(=N)N	3522.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #70	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl	3598.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #71	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl	3519.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #72	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C2Cl)O[C@@H](C(=O)O)[C@@H]1O[Si](C)(C)C	3620.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #73	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)N[Si](C)(C)C	3532.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #74	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl	3622.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #75	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl	3539.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #76	C[Si](C)(C)O[C@@H]1[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C2Cl)O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@H]1O	3636.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #77	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3548.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #78	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3626.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #79	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl)N[Si](C)(C)C	3539.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #8	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3573.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #80	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3588.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #81	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl	3587.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #82	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl	3510.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #83	C[Si](C)(C)O[C@@H]1[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C2Cl)O[C@@H](C(=O)O)[C@H](O)[C@H]1O[Si](C)(C)C	3608.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #84	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3524.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #85	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3610.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #86	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)N[Si](C)(C)C	3530.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #87	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3584.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #88	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3615.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #89	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3531.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #9	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3458.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #90	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3576.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,4TMS,isomer #91	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3563.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(=NC(=N)N)O[Si](C)(C)C)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3512.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #10	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O	3584.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #11	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3492.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #12	C[Si](C)(C)OC(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)=NC(=N)N	3508.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #13	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3569.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #14	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3482.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #15	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3581.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #16	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3491.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #17	C[Si](C)(C)OC(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C	3596.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #18	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3502.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #19	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3561.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(=NC(=N)N)O[Si](C)(C)C)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3528.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #20	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3471.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #21	C[Si](C)(C)OC(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C	3595.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #22	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3511.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #23	C[Si](C)(C)OC(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C	3587.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #24	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3498.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #25	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3541.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #26	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(=NC(=N)N)O[Si](C)(C)C)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3495.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #27	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3545.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #28	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3455.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #29	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3565.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #3	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3584.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #30	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3481.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #31	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3583.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #32	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3502.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #33	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)O[Si](C)(C)C	3550.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #34	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)O[Si](C)(C)C	3455.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #35	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3567.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #36	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3487.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #37	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3587.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #38	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3504.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #39	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3525.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #4	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3487.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #40	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3542.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #41	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3447.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #42	C[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C	3559.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #43	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3484.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #44	C[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C	3569.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #45	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3494.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #46	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3526.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #47	C[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C	3546.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #48	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3474.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #49	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3523.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(=NC(=N)N)O[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3512.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #50	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3514.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #51	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3559.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #52	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl	3620.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #53	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl	3533.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #54	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl	3641.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #55	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl	3554.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #56	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3648.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #57	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3573.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #58	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl	3629.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #59	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl	3536.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #6	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3558.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #60	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3633.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #61	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3567.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #62	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3654.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #63	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3581.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #64	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3589.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #65	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl	3631.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #66	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl	3545.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #67	C[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C1Cl	3639.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #68	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3569.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #69	C[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C1Cl	3651.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #7	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3473.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #70	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3580.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #71	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3612.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #72	C[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C1Cl	3626.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #73	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3559.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #74	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3607.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #75	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3601.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #76	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl	3607.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #77	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl	3522.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #78	C[Si](C)(C)O[C@@H]1[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C2Cl)O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3605.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #79	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3542.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #8	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3585.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #80	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3628.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #81	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)N[Si](C)(C)C	3560.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #82	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3573.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #83	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3641.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #84	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3574.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #85	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3588.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #86	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3595.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #87	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3612.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #88	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3546.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #89	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3551.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #9	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3480.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #90	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3578.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,5TMS,isomer #91	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3587.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(=NC(=N)N)O[Si](C)(C)C)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3531.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #10	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3614.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #11	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3529.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #12	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3632.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #13	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3556.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #14	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3577.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #15	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3592.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #16	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3488.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #17	C[Si](C)(C)OC(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C	3616.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #18	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3546.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #19	C[Si](C)(C)OC(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C	3621.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #2	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3584.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #20	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3545.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #21	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3577.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #22	C[Si](C)(C)OC(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C	3603.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #23	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3534.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #24	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3570.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #25	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3571.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #26	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3571.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #27	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3483.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #28	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3588.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #29	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3520.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #3	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3487.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #30	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3616.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #31	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3533.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #32	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3566.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #33	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3598.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #34	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3523.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #35	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3547.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #36	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3568.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #37	C[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C	3587.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #38	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3521.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #39	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3540.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #4	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3596.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #40	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3547.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #41	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3529.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #42	C[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl	3652.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #43	C[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl	3561.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #44	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3650.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #45	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3594.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #46	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3678.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #47	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3611.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #48	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3628.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #49	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C2Cl)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3665.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #5	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3499.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #50	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3600.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #51	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3610.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #52	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3635.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #53	C[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C1Cl	3659.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #54	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3599.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #55	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3614.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #56	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3623.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #57	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3596.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #58	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3651.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #59	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)N[Si](C)(C)C	3585.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #6	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C)=C(Cl)C(CC(=NC(=N)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)=C2Cl)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3628.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #60	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3581.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #61	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3600.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #62	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3616.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #63	C[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1Cl)N([Si](C)(C)C)[Si](C)(C)C	3587.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #7	C[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C)N[Si](C)(C)C	3556.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #8	C[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3589.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,6TMS,isomer #9	C[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1Cl)O[Si](C)(C)C	3486.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)=NC(=N)N	3876.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C(Cl)C(CC(O)=NC(=N)N)=C1Cl	3946.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)O[C@H]1C(=O)O	3905.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)O[C@@H](C(=O)O)[C@@H]1O	3918.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)O[C@@H](C(=O)O)[C@H](O)[C@H]1O	3914.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O	3926.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl	4060.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl	3942.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1Cl)=NC(=N)N	4050.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=C(Cl)C(CC(O)=NC(=N)N)=C1Cl	4070.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=C(Cl)C(CC(O)=NC(=N)N)=C1Cl	4062.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1Cl	4176.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1Cl	4080.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)O[C@@H](C(=O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	4040.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4030.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4062.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl	4135.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl	4047.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)O[C@@H](C(=O)O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4034.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(=NC(=N)N)O[Si](C)(C)C(C)(C)C)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O	4022.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4050.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=C1Cl	4141.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=C1Cl	4045.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4061.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=C1Cl	4141.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=C1Cl	4043.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl	4155.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl	4057.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N(C(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)[Si](C)(C)C(C)(C)C	4209.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)N[Si](C)(C)C(C)(C)C	4090.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl)=NC(=N)N	4013.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=C1Cl)=NC(=N)N	4019.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=C1Cl)=NC(=N)N	4020.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C(C)(C)C	4101.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C(C)(C)C	3982.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O	4089.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)=C(Cl)C(CC(O)=NC(=N)N)=C1Cl	4064.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C(Cl)C(CC(=NC(=N)N)O[Si](C)(C)C(C)(C)C)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O	4220.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C(C)(C)C	4234.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C(C)(C)C	4132.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=C1Cl)=NC(=N)N	4155.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=C1Cl)=NC(=N)N	4174.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C(C)(C)C	4225.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C(C)(C)C	4123.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)=C1Cl)=NC(=N)N	4161.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=C1Cl)O[Si](C)(C)C(C)(C)C	4224.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=C1Cl)O[Si](C)(C)C(C)(C)C	4116.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=C1Cl)O[Si](C)(C)C(C)(C)C	4231.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1Cl)=NC(=N)N	4210.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=C1Cl)O[Si](C)(C)C(C)(C)C	4123.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)=NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4294.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(N=C(CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4152.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4223.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4213.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4224.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1Cl	4297.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1Cl	4214.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=C(Cl)C(CC(O)=NC(=N)N)=C1Cl	4201.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=C(Cl)C(CC(O)=NC(=N)N)=C1Cl	4204.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1Cl)=NC(=N)N	4222.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1Cl	4281.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1Cl	4202.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)=C(Cl)C(CC(O)=NC(=N)N)=C1Cl	4197.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1Cl	4282.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1Cl	4194.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1Cl	4280.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1Cl	4204.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1Cl	4360.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1Cl)N[Si](C)(C)C(C)(C)C	4224.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4187.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1Cl)=NC(=N)N	4218.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4188.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=C1Cl	4243.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=C1Cl	4174.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4218.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=C1Cl	4254.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=C1Cl	4188.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl	4262.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl	4184.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2Cl)O[C@H]1C(=O)O	4304.2	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)=C1Cl)N[Si](C)(C)C(C)(C)C	4186.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1Cl)O[Si](C)(C)C(C)(C)C	4258.5	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N)=C2Cl)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4190.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)=C1Cl	4240.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)=C1Cl	4174.6	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=C1Cl	4249.7	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=C1Cl	4165.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2Cl)O[C@@H](C(=O)O)[C@@H]1O	4294.4	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=C1Cl)N[Si](C)(C)C(C)(C)C	4181.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #57	CC(C)(C)[Si](C)(C)NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=C1Cl	4267.8	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #58	CC(C)(C)[Si](C)(C)N=C(N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=C1Cl	4189.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #59	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2Cl)O[C@@H](C(=O)O)[C@H](O)[C@H]1O	4304.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(N)N=C(CC1=C(Cl)C(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1Cl)O[Si](C)(C)C(C)(C)C	4148.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #60	CC(C)(C)[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=C1Cl)N[Si](C)(C)C(C)(C)C	4187.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(O)=NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O	4317.1	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #62	CC(C)(C)[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)N[Si](C)(C)C(C)(C)C	4205.9	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #63	CC(C)(C)[Si](C)(C)N=C(N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)=C1Cl)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4285.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(=NC(=N)N)O[Si](C)(C)C(C)(C)C)=C2Cl)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4195.0	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(=NC(=N)N)O[Si](C)(C)C(C)(C)C)=C2Cl)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4160.3	Semi standard non polar	33892256
3-hydroxyguanfacine glucuronide,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OC2=CC(O)=C(Cl)C(CC(=NC(=N)N)O[Si](C)(C)C(C)(C)C)=C2Cl)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4178.5	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 3-hydroxyguanfacine glucuronide GC-MS (Non-derivatized) - 70eV, Positive	splash10-052o-9302200000-911b49a246d261f8d93d	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-hydroxyguanfacine glucuronide GC-MS (3 TMS) - 70eV, Positive	splash10-0pvi-9350016000-f540b5d821537192d1ca	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-hydroxyguanfacine glucuronide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-hydroxyguanfacine glucuronide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-hydroxyguanfacine glucuronide 10V, Positive-QTOF	splash10-0fbi-2070900000-42589e2b6123d3df5519	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-hydroxyguanfacine glucuronide 20V, Positive-QTOF	splash10-004i-1190000000-523efd8f6bbc09d99537	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-hydroxyguanfacine glucuronide 40V, Positive-QTOF	splash10-0006-5950000000-eeba26081a7705e174a2	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-hydroxyguanfacine glucuronide 10V, Negative-QTOF	splash10-0zir-3142900000-a6cb0cfc34b2969ac3c3	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-hydroxyguanfacine glucuronide 20V, Negative-QTOF	splash10-0a7i-6194400000-bf12e444a82b2bf3c61a	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-hydroxyguanfacine glucuronide 40V, Negative-QTOF	splash10-0006-9030000000-58478e751925330400b3	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-hydroxyguanfacine glucuronide 10V, Positive-QTOF	splash10-0udi-0000900000-191224a84072bb4e5f93	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-hydroxyguanfacine glucuronide 20V, Positive-QTOF	splash10-03g0-8055900000-58c5b2c0ce242ad977e0	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-hydroxyguanfacine glucuronide 40V, Positive-QTOF	splash10-00or-6978100000-5dfc20d0dc441ef378c8	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-hydroxyguanfacine glucuronide 10V, Negative-QTOF	splash10-0udi-0000900000-f66fb4675704cb4bc40d	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-hydroxyguanfacine glucuronide 20V, Negative-QTOF	splash10-056u-4492100000-f9353b19eb9234297840	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-hydroxyguanfacine glucuronide 40V, Negative-QTOF	splash10-056r-5190000000-12c68bf4fc3a509bf020	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Urine

Tissue Locations

Kidney
Liver

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131770025

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for 3-hydroxyguanfacine glucuronide (HMDB0061096)

MOL for HMDB0061096 (3-hydroxyguanfacine glucuronide)

3D MOL for HMDB0061096 (3-hydroxyguanfacine glucuronide)

3D SDF for HMDB0061096 (3-hydroxyguanfacine glucuronide)

3D-SDF for HMDB0061096 (3-hydroxyguanfacine glucuronide)

PDB for HMDB0061096 (3-hydroxyguanfacine glucuronide)

3D PDB for HMDB0061096 (3-hydroxyguanfacine glucuronide)

SMILES for HMDB0061096 (3-hydroxyguanfacine glucuronide)

INCHI for HMDB0061096 (3-hydroxyguanfacine glucuronide)

Structure for HMDB0061096 (3-hydroxyguanfacine glucuronide)

3D Structure for HMDB0061096 (3-hydroxyguanfacine glucuronide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra