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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (18) Show 18 proteins XML

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2008-09-16 08:30:09 UTC

Update Date

2021-09-14 15:18:00 UTC

HMDB ID

HMDB0010357

Secondary Accession Numbers

HMDB10357

Metabolite Identification

Common Name

Tetrahydroaldosterone-3-glucuronide

Description

Tetrahydroaldosterone-3-glucuronide is a natural human metabolite of Tetrahydroaldosterone generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys.

Structure

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


  Mrv0541 02241200522D          

 39 44  0  0  1  0            999 V2000
   18.7189   -4.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9604   -3.3707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2296   -7.0901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9636   -3.3436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6051   -3.5107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5323   -5.8429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7894   -7.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3720   -7.0505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3948   -5.4007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1264   -4.1732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5551   -4.1930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9987   -4.7672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2665   -5.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7478   -5.5531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9769   -5.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5117   -5.8377    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1517   -4.6102    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.0497   -4.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8189   -4.7652    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.4965   -6.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4149   -6.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5409   -4.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9815   -6.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0755   -5.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2364   -7.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7517   -5.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7203   -7.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4907   -4.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9654   -5.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9496   -6.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3016   -4.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1223   -4.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5209   -6.6678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8007   -7.0703    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0921   -6.6479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.8236   -5.4204    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1035   -5.8231    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.8350   -4.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5155   -4.3154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 22  1  0  0  0  0
  2 22  1  0  0  0  0
  3 30  1  0  0  0  0
 33  3  1  1  0  0  0
  4 31  2  0  0  0  0
  5 32  1  0  0  0  0
  6 33  1  0  0  0  0
  6 36  1  0  0  0  0
 34  7  1  6  0  0  0
 35  8  1  6  0  0  0
 37  9  1  6  0  0  0
 10 38  1  0  0  0  0
 11 38  2  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 23  1  0  0  0  0
 16 20  1  0  0  0  0
 16 26  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 39  1  6  0  0  0
 19 24  1  0  0  0  0
 19 31  1  1  0  0  0
 20 25  1  0  0  0  0
 20 27  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 37  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  1  0  0  0
M  END

HMDB0010357
     RDKit          3D
Tetrahydroaldosterone-3-glucuronide
 78 83  0  0  0  0  0  0  0  0999 V2000
    0.4475    1.3876   -1.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2970    0.1964   -0.8383 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5837   -0.8000   -1.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9038   -0.1668   -1.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6442    0.3979   -0.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3955   -0.5217   -0.1132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7496   -0.2554   -0.1065 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2144   -0.0261    1.2031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5165    0.4115    1.1230 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.0193    0.8652    2.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1824    1.3026    2.5848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1654    0.7984    3.5284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4410   -0.6561    0.6085 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.7212   -0.0866    0.5100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9445   -1.0792   -0.7539 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0435    0.0320   -1.5969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4820   -1.4722   -0.6069 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -0.4536    0.5213    0.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3032    1.3774    1.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8017    1.1654    1.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0831   -0.2297    0.8993 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4489   -0.7293    1.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2817   -0.2332    2.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6029   -0.9863    1.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6374   -1.1317    0.4019 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9269   -0.7803   -0.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4104   -1.5695   -0.9970 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7180    0.4389    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8490    0.4805   -0.7662 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4129   -0.5135   -0.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7752   -1.1727   -1.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6955   -0.1276   -1.5179 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2199    1.1090   -1.1470 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4755    0.8841   -0.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3484    0.8894   -1.7143 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5690   -0.5025   -0.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6284    1.0366   -2.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1412    2.1458   -1.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5660    1.8808   -1.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0608   -1.0561   -2.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7996   -1.6973   -1.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0721    1.6577    4.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4686   -1.4788    1.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3346   -0.7522    0.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3326    1.1803    1.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0716    2.4668    1.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1420    1.2117    2.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3382    1.9572    0.8346 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4097   -0.8812    1.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4255   -1.8647    1.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8565   -0.5597    3.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4399    0.8477    2.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521   -1.9513    2.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3930   -0.3142    2.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5186   -2.2535    0.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1864    0.3489    1.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2056    1.3835    0.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0179    1.4253   -0.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4533   -1.2428   -2.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3662   -2.1406   -0.9714 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588   -0.1549   -2.5119 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0048    1.4547   -2.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4839   -1.6022   -0.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
  3  4  1  0
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  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
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  9 13  1  0
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 15 16  1  0
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  5 19  1  0
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 20  2  1  0
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  4 45  1  0
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 30 71  1  0
 31 72  1  0
 33 73  1  0
 33 74  1  0
 34 75  1  6
 36 76  1  0
 37 77  1  0
 38 78  1  0
M  END


  Mrv0541 02241200522D          

 39 44  0  0  1  0            999 V2000
   18.7189   -4.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9604   -3.3707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2296   -7.0901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9636   -3.3436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6051   -3.5107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5323   -5.8429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7894   -7.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3720   -7.0505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3948   -5.4007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1264   -4.1732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5551   -4.1930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9987   -4.7672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2665   -5.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7478   -5.5531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1517   -4.6102    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   17.4965   -6.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4149   -6.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.9815   -6.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0755   -5.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2364   -7.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7517   -5.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7203   -7.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4907   -4.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9654   -5.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9496   -6.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.1223   -4.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5209   -6.6678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8007   -7.0703    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0921   -6.6479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.8236   -5.4204    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1035   -5.8231    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.8350   -4.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5155   -4.3154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 22  1  0  0  0  0
  2 22  1  0  0  0  0
  3 30  1  0  0  0  0
 33  3  1  1  0  0  0
  4 31  2  0  0  0  0
  5 32  1  0  0  0  0
  6 33  1  0  0  0  0
  6 36  1  0  0  0  0
 34  7  1  6  0  0  0
 35  8  1  6  0  0  0
 37  9  1  6  0  0  0
 10 38  1  0  0  0  0
 11 38  2  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 23  1  0  0  0  0
 16 20  1  0  0  0  0
 16 26  1  0  0  0  0
 16 28  1  1  0  0  0
 17 18  1  0  0  0  0
 17 39  1  6  0  0  0
 19 24  1  0  0  0  0
 19 31  1  1  0  0  0
 20 25  1  0  0  0  0
 20 27  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 37  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0010357

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@]12CC3(C(O)O1)C(CC[C@@H]3C(=O)CO)C1CCC3CC(CC[C@]3(C)C21)O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H40O11/c1-26-7-6-12(36-24-21(32)19(30)20(31)22(38-24)23(33)34)8-11(26)2-3-13-14-4-5-15(16(29)10-28)27(14)9-17(18(13)26)37-25(27)35/h11-15,17-22,24-25,28,30-32,35H,2-10H2,1H3,(H,33,34)/t11?,12?,13?,14?,15-,17+,18?,19-,20+,21-,22+,24-,25?,26+,27?/m1/s1

> <INCHI_KEY>
CGIURIOFMWUPSV-RUQPETGGSA-N

> <FORMULA>
C27H40O11

> <MOLECULAR_WEIGHT>
540.5999

> <EXACT_MASS>
540.257062122

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
56.190935470557065

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-{[(2S,14S,16S)-18-hydroxy-2-(2-hydroxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.0¹,⁵.0⁶,¹⁵.0⁹,¹⁴]nonadecan-11-yl]oxy}oxane-2-carboxylic acid

> <ALOGPS_LOGP>
-0.06

> <JCHEM_LOGP>
-0.07292754266666769

> <ALOGPS_LOGS>
-2.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.741194154970128

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.467244141237451

> <JCHEM_PKA_STRONGEST_BASIC>
-3.295415296838816

> <JCHEM_POLAR_SURFACE_AREA>
183.20999999999998

> <JCHEM_REFRACTIVITY>
127.77659999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.49e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-{[(2S,14S,16S)-18-hydroxy-2-(2-hydroxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.0¹,⁵.0⁶,¹⁵.0⁹,¹⁴]nonadecan-11-yl]oxy}oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0010357
     RDKit          3D
Tetrahydroaldosterone-3-glucuronide
 78 83  0  0  0  0  0  0  0  0999 V2000
    0.4475    1.3876   -1.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2970    0.1964   -0.8383 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5837   -0.8000   -1.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9038   -0.1668   -1.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6442    0.3979   -0.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3955   -0.5217   -0.1132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7496   -0.2554   -0.1065 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2144   -0.0261    1.2031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5165    0.4115    1.1230 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.0193    0.8652    2.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1824    1.3026    2.5848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1654    0.7984    3.5284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4410   -0.6561    0.6085 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.7212   -0.0866    0.5100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9445   -1.0792   -0.7539 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0435    0.0320   -1.5969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4820   -1.4722   -0.6069 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9702   -2.0073   -1.7630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7767    1.1573    0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4536    0.5213    0.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3032    1.3774    1.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8017    1.1654    1.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0831   -0.2297    0.8993 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4489   -0.7293    1.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2817   -0.2332    2.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6029   -0.9863    1.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6374   -1.1317    0.4019 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9269   -0.7803   -0.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4104   -1.5695   -0.9970 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7180    0.4389    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8490    0.4805   -0.7662 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4129   -0.5135   -0.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7752   -1.1727   -1.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6955   -0.1276   -1.5179 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2199    1.1090   -1.1470 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4755    0.8841   -0.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3484    0.8894   -1.7143 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5690   -0.5025   -0.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6284    1.0366   -2.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1412    2.1458   -1.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5660    1.8808   -1.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0608   -1.0561   -2.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7996   -1.6973   -1.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5181   -0.9705   -2.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7772    0.5934   -2.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3814    1.1548   -1.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9928    0.6704   -0.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5803    1.2810    0.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0721    1.6577    4.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4686   -1.4788    1.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3346   -0.7522    0.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4929   -1.9505   -1.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9354   -0.1767   -2.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4243   -2.2458    0.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6352   -2.3599   -2.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6772    2.2424   -0.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3326    1.1803    1.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6688   -0.4701    0.9206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1076    1.1827    2.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0716    2.4668    1.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1420    1.2117    2.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3382    1.9572    0.8346 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4097   -0.8812    1.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4255   -1.8647    1.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8565   -0.5597    3.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4399    0.8477    2.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521   -1.9513    2.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3930   -0.3142    2.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5186   -2.2535    0.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1864    0.3489    1.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2056    1.3835    0.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0179    1.4253   -0.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4533   -1.2428   -2.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3662   -2.1406   -0.9714 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588   -0.1549   -2.5119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8354    1.6342    0.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0048    1.4547   -2.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4839   -1.6022   -0.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  9 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  5 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 27 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 34 38  1  0
 20  2  1  0
 38 23  1  0
 38  2  1  0
 17  7  1  0
 32 24  1  0
 36 32  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  3 42  1  0
  3 43  1  0
  4 44  1  0
  4 45  1  0
  5 46  1  0
  7 47  1  6
  9 48  1  6
 12 49  1  0
 13 50  1  1
 14 51  1  0
 15 52  1  6
 16 53  1  0
 17 54  1  1
 18 55  1  0
 19 56  1  0
 19 57  1  0
 20 58  1  0
 21 59  1  0
 21 60  1  0
 22 61  1  0
 22 62  1  0
 23 63  1  0
 24 64  1  0
 25 65  1  0
 25 66  1  0
 26 67  1  0
 26 68  1  0
 27 69  1  1
 30 70  1  0
 30 71  1  0
 31 72  1  0
 33 73  1  0
 33 74  1  0
 34 75  1  6
 36 76  1  0
 37 77  1  0
 38 78  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0      34.942  -7.487   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      37.259  -6.292   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      28.429 -13.235   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      39.132  -6.241   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      42.196  -6.553   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      27.127 -10.907   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      25.740 -14.738   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      23.094 -13.161   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      23.137 -10.081   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      24.503  -7.790   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      27.170  -7.827   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      37.331  -8.899   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      34.097 -10.131   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      36.863 -10.366   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      35.424 -10.914   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      32.689 -10.897   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      33.883  -8.606   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      35.559  -9.314   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      38.862  -8.895   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      32.660 -12.501   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      38.108 -11.256   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      36.476  -7.618   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      35.432 -12.518   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      39.341 -10.349   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      34.041 -13.317   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      31.270 -10.014   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      31.211 -13.333   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      32.649  -9.287   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      29.802 -10.813   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      29.773 -12.483   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      39.763  -7.646   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      41.295  -7.802   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      27.106 -12.447   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      25.761 -13.198   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      24.439 -12.409   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      25.804 -10.118   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      24.460 -10.870   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      25.825  -8.578   0.000  0.00  0.00           C+0
HETATM   39  H   UNK     0      32.696  -8.055   0.000  0.00  0.00           H+0
CONECT    1   17   22                                                       
CONECT    2   22                                                            
CONECT    3   30   33                                                       
CONECT    4   31                                                            
CONECT    5   32                                                            
CONECT    6   33   36                                                       
CONECT    7   34                                                            
CONECT    8   35                                                            
CONECT    9   37                                                            
CONECT   10   38                                                            
CONECT   11   38                                                            
CONECT   12   14   18   19   22                                             
CONECT   13   15   16   17                                                  
CONECT   14   12   15   21                                                  
CONECT   15   13   14   23                                                  
CONECT   16   13   20   26   28                                             
CONECT   17    1   13   18   39                                             
CONECT   18   12   17                                                       
CONECT   19   12   24   31                                                  
CONECT   20   16   25   27                                                  
CONECT   21   14   24                                                       
CONECT   22    1    2   12                                                  
CONECT   23   15   25                                                       
CONECT   24   19   21                                                       
CONECT   25   20   23                                                       
CONECT   26   16   29                                                       
CONECT   27   20   30                                                       
CONECT   28   16                                                            
CONECT   29   26   30                                                       
CONECT   30    3   27   29                                                  
CONECT   31    4   19   32                                                  
CONECT   32    5   31                                                       
CONECT   33    3    6   34                                                  
CONECT   34    7   33   35                                                  
CONECT   35    8   34   37                                                  
CONECT   36    6   37   38                                                  
CONECT   37    9   35   36                                                  
CONECT   38   10   11   36                                                  
CONECT   39   17                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   88    0
END

COMPND    HMDB0010357
HETATM    1  C1  UNL     1       0.448   1.388  -1.746  1.00  0.00           C  
HETATM    2  C2  UNL     1       0.297   0.196  -0.838  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.584  -0.800  -1.609  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.904  -0.167  -1.983  1.00  0.00           C  
HETATM    5  C5  UNL     1      -2.644   0.398  -0.818  1.00  0.00           C  
HETATM    6  O1  UNL     1      -3.396  -0.522  -0.113  1.00  0.00           O  
HETATM    7  C6  UNL     1      -4.750  -0.255  -0.106  1.00  0.00           C  
HETATM    8  O2  UNL     1      -5.214  -0.026   1.203  1.00  0.00           O  
HETATM    9  C7  UNL     1      -6.516   0.411   1.123  1.00  0.00           C  
HETATM   10  C8  UNL     1      -7.019   0.865   2.437  1.00  0.00           C  
HETATM   11  O3  UNL     1      -8.182   1.303   2.585  1.00  0.00           O  
HETATM   12  O4  UNL     1      -6.165   0.798   3.528  1.00  0.00           O  
HETATM   13  C9  UNL     1      -7.441  -0.656   0.609  1.00  0.00           C  
HETATM   14  O5  UNL     1      -8.721  -0.087   0.510  1.00  0.00           O  
HETATM   15  C10 UNL     1      -6.944  -1.079  -0.754  1.00  0.00           C  
HETATM   16  O6  UNL     1      -7.043   0.032  -1.597  1.00  0.00           O  
HETATM   17  C11 UNL     1      -5.482  -1.472  -0.607  1.00  0.00           C  
HETATM   18  O7  UNL     1      -4.970  -2.007  -1.763  1.00  0.00           O  
HETATM   19  C12 UNL     1      -1.777   1.157   0.149  1.00  0.00           C  
HETATM   20  C13 UNL     1      -0.454   0.521   0.424  1.00  0.00           C  
HETATM   21  C14 UNL     1       0.303   1.377   1.383  1.00  0.00           C  
HETATM   22  C15 UNL     1       1.802   1.165   1.346  1.00  0.00           C  
HETATM   23  C16 UNL     1       2.083  -0.230   0.899  1.00  0.00           C  
HETATM   24  C17 UNL     1       3.449  -0.729   1.055  1.00  0.00           C  
HETATM   25  C18 UNL     1       4.282  -0.233   2.192  1.00  0.00           C  
HETATM   26  C19 UNL     1       5.603  -0.986   1.894  1.00  0.00           C  
HETATM   27  C20 UNL     1       5.637  -1.132   0.402  1.00  0.00           C  
HETATM   28  C21 UNL     1       6.927  -0.780  -0.196  1.00  0.00           C  
HETATM   29  O8  UNL     1       7.410  -1.570  -0.997  1.00  0.00           O  
HETATM   30  C22 UNL     1       7.718   0.439   0.063  1.00  0.00           C  
HETATM   31  O9  UNL     1       8.849   0.481  -0.766  1.00  0.00           O  
HETATM   32  C23 UNL     1       4.413  -0.513  -0.077  1.00  0.00           C  
HETATM   33  C24 UNL     1       3.775  -1.173  -1.297  1.00  0.00           C  
HETATM   34  C25 UNL     1       2.696  -0.128  -1.518  1.00  0.00           C  
HETATM   35  O10 UNL     1       3.220   1.109  -1.147  1.00  0.00           O  
HETATM   36  C26 UNL     1       4.475   0.884  -0.589  1.00  0.00           C  
HETATM   37  O11 UNL     1       5.348   0.889  -1.714  1.00  0.00           O  
HETATM   38  C27 UNL     1       1.569  -0.502  -0.527  1.00  0.00           C  
HETATM   39  H1  UNL     1       0.628   1.037  -2.786  1.00  0.00           H  
HETATM   40  H2  UNL     1       1.141   2.146  -1.396  1.00  0.00           H  
HETATM   41  H3  UNL     1      -0.566   1.881  -1.790  1.00  0.00           H  
HETATM   42  H4  UNL     1      -0.061  -1.056  -2.552  1.00  0.00           H  
HETATM   43  H5  UNL     1      -0.800  -1.697  -1.002  1.00  0.00           H  
HETATM   44  H6  UNL     1      -2.518  -0.970  -2.437  1.00  0.00           H  
HETATM   45  H7  UNL     1      -1.777   0.593  -2.807  1.00  0.00           H  
HETATM   46  H8  UNL     1      -3.381   1.155  -1.219  1.00  0.00           H  
HETATM   47  H9  UNL     1      -4.993   0.670  -0.685  1.00  0.00           H  
HETATM   48  H10 UNL     1      -6.580   1.281   0.431  1.00  0.00           H  
HETATM   49  H11 UNL     1      -6.072   1.658   4.082  1.00  0.00           H  
HETATM   50  H12 UNL     1      -7.469  -1.479   1.329  1.00  0.00           H  
HETATM   51  H13 UNL     1      -9.335  -0.752   0.081  1.00  0.00           H  
HETATM   52  H14 UNL     1      -7.493  -1.951  -1.164  1.00  0.00           H  
HETATM   53  H15 UNL     1      -6.935  -0.177  -2.539  1.00  0.00           H  
HETATM   54  H16 UNL     1      -5.424  -2.246   0.188  1.00  0.00           H  
HETATM   55  H17 UNL     1      -5.635  -2.360  -2.392  1.00  0.00           H  
HETATM   56  H18 UNL     1      -1.677   2.242  -0.121  1.00  0.00           H  
HETATM   57  H19 UNL     1      -2.333   1.180   1.133  1.00  0.00           H  
HETATM   58  H20 UNL     1      -0.669  -0.470   0.921  1.00  0.00           H  
HETATM   59  H21 UNL     1      -0.108   1.183   2.401  1.00  0.00           H  
HETATM   60  H22 UNL     1       0.072   2.467   1.194  1.00  0.00           H  
HETATM   61  H23 UNL     1       2.142   1.212   2.422  1.00  0.00           H  
HETATM   62  H24 UNL     1       2.338   1.957   0.835  1.00  0.00           H  
HETATM   63  H25 UNL     1       1.410  -0.881   1.540  1.00  0.00           H  
HETATM   64  H26 UNL     1       3.425  -1.865   1.190  1.00  0.00           H  
HETATM   65  H27 UNL     1       3.857  -0.560   3.151  1.00  0.00           H  
HETATM   66  H28 UNL     1       4.440   0.848   2.213  1.00  0.00           H  
HETATM   67  H29 UNL     1       5.552  -1.951   2.413  1.00  0.00           H  
HETATM   68  H30 UNL     1       6.393  -0.314   2.285  1.00  0.00           H  
HETATM   69  H31 UNL     1       5.519  -2.253   0.227  1.00  0.00           H  
HETATM   70  H32 UNL     1       8.186   0.349   1.108  1.00  0.00           H  
HETATM   71  H33 UNL     1       7.206   1.384   0.086  1.00  0.00           H  
HETATM   72  H34 UNL     1       9.018   1.425  -0.969  1.00  0.00           H  
HETATM   73  H35 UNL     1       4.453  -1.243  -2.147  1.00  0.00           H  
HETATM   74  H36 UNL     1       3.366  -2.141  -0.971  1.00  0.00           H  
HETATM   75  H37 UNL     1       2.259  -0.155  -2.512  1.00  0.00           H  
HETATM   76  H38 UNL     1       4.835   1.634   0.095  1.00  0.00           H  
HETATM   77  H39 UNL     1       5.005   1.455  -2.431  1.00  0.00           H  
HETATM   78  H40 UNL     1       1.484  -1.602  -0.618  1.00  0.00           H  
CONECT    1    2   39   40   41
CONECT    2    3   20   38
CONECT    3    4   42   43
CONECT    4    5   44   45
CONECT    5    6   19   46
CONECT    6    7
CONECT    7    8   17   47
CONECT    8    9
CONECT    9   10   13   48
CONECT   10   11   11   12
CONECT   12   49
CONECT   13   14   15   50
CONECT   14   51
CONECT   15   16   17   52
CONECT   16   53
CONECT   17   18   54
CONECT   18   55
CONECT   19   20   56   57
CONECT   20   21   58
CONECT   21   22   59   60
CONECT   22   23   61   62
CONECT   23   24   38   63
CONECT   24   25   32   64
CONECT   25   26   65   66
CONECT   26   27   67   68
CONECT   27   28   32   69
CONECT   28   29   29   30
CONECT   30   31   70   71
CONECT   31   72
CONECT   32   33   36
CONECT   33   34   73   74
CONECT   34   35   38   75
CONECT   35   36
CONECT   36   37   76
CONECT   37   77
CONECT   38   78
END

HMDB0010357
     RDKit          3D
Tetrahydroaldosterone-3-glucuronide
 78 83  0  0  0  0  0  0  0  0999 V2000
    0.4475    1.3876   -1.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2970    0.1964   -0.8383 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5837   -0.8000   -1.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9038   -0.1668   -1.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6442    0.3979   -0.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3955   -0.5217   -0.1132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7496   -0.2554   -0.1065 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2144   -0.0261    1.2031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5165    0.4115    1.1230 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.0193    0.8652    2.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1824    1.3026    2.5848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1654    0.7984    3.5284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4410   -0.6561    0.6085 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.7212   -0.0866    0.5100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9445   -1.0792   -0.7539 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0435    0.0320   -1.5969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4820   -1.4722   -0.6069 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9702   -2.0073   -1.7630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7767    1.1573    0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4536    0.5213    0.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3032    1.3774    1.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8017    1.1654    1.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0831   -0.2297    0.8993 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4489   -0.7293    1.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2817   -0.2332    2.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6029   -0.9863    1.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6374   -1.1317    0.4019 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9269   -0.7803   -0.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4104   -1.5695   -0.9970 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7180    0.4389    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8490    0.4805   -0.7662 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4129   -0.5135   -0.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7752   -1.1727   -1.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6955   -0.1276   -1.5179 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2199    1.1090   -1.1470 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4755    0.8841   -0.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3484    0.8894   -1.7143 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5690   -0.5025   -0.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6284    1.0366   -2.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1412    2.1458   -1.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5660    1.8808   -1.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0608   -1.0561   -2.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7996   -1.6973   -1.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5181   -0.9705   -2.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7772    0.5934   -2.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3814    1.1548   -1.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9928    0.6704   -0.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5803    1.2810    0.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0721    1.6577    4.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4686   -1.4788    1.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3346   -0.7522    0.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4929   -1.9505   -1.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9354   -0.1767   -2.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4243   -2.2458    0.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6352   -2.3599   -2.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6772    2.2424   -0.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3326    1.1803    1.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6688   -0.4701    0.9206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1076    1.1827    2.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0716    2.4668    1.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1420    1.2117    2.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3382    1.9572    0.8346 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4097   -0.8812    1.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4255   -1.8647    1.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8565   -0.5597    3.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4399    0.8477    2.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521   -1.9513    2.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3930   -0.3142    2.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5186   -2.2535    0.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1864    0.3489    1.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2056    1.3835    0.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0179    1.4253   -0.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4533   -1.2428   -2.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3662   -2.1406   -0.9714 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588   -0.1549   -2.5119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8354    1.6342    0.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0048    1.4547   -2.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4839   -1.6022   -0.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  9 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  5 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 27 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 34 38  1  0
 20  2  1  0
 38 23  1  0
 38  2  1  0
 17  7  1  0
 32 24  1  0
 36 32  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  3 42  1  0
  3 43  1  0
  4 44  1  0
  4 45  1  0
  5 46  1  0
  7 47  1  6
  9 48  1  6
 12 49  1  0
 13 50  1  1
 14 51  1  0
 15 52  1  6
 16 53  1  0
 17 54  1  1
 18 55  1  0
 19 56  1  0
 19 57  1  0
 20 58  1  0
 21 59  1  0
 21 60  1  0
 22 61  1  0
 22 62  1  0
 23 63  1  0
 24 64  1  0
 25 65  1  0
 25 66  1  0
 26 67  1  0
 26 68  1  0
 27 69  1  1
 30 70  1  0
 30 71  1  0
 31 72  1  0
 33 73  1  0
 33 74  1  0
 34 75  1  6
 36 76  1  0
 37 77  1  0
 38 78  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(3alpha,5beta,11beta)-11,18-Epoxy-18,21-dihydro-20-oxopregnan-3-yl-beta-D-glucopyranosiduronic acid	HMDB
(3alpha,5beta,11beta)-11,18-Epoxy-18,21-dihydro-20-oxopregnan-3-yl-beta-delta-glucopyranosiduronic acid	HMDB
11beta,18-Epoxy-18,21-dihydroxy-20-oxo-5beta-pregnan-3alpha-yl beta-D-glucopyranosiduronic acid	HMDB
11beta,18-Epoxy-18,21-dihydroxy-20-oxo-5beta-pregnan-3alpha-yl beta-delta-glucopyranosiduronic acid	HMDB
Tetrahydroaldosterone 3 beta-glucosiduronic acid	HMDB
Tetrahydroaldosterone-3-glucuronoside	HMDB
11 beta,18-Epoxy-18,21-dihydroxy-20-oxo-5 beta-pregnan-3 alpha-yl beta-D-glucopyranosiduronic acid	HMDB
TA-ga	HMDB

Chemical Formula

C₂₇H₄₀O₁₁

Average Molecular Weight

540.5999

Monoisotopic Molecular Weight

540.257062122

IUPAC Name

(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-{[(2S,14S,16S)-18-hydroxy-2-(2-hydroxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.0¹,⁵.0⁶,¹⁵.0⁹,¹⁴]nonadecan-11-yl]oxy}oxane-2-carboxylic acid

Traditional Name

(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-{[(2S,14S,16S)-18-hydroxy-2-(2-hydroxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.0¹,⁵.0⁶,¹⁵.0⁹,¹⁴]nonadecan-11-yl]oxy}oxane-2-carboxylic acid

CAS Registry Number

20605-81-6

SMILES

[H][C@@]12CC3(C(O)O1)C(CC[C@@H]3C(=O)CO)C1CCC3CC(CC[C@]3(C)C21)O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O

InChI Identifier

InChI=1S/C27H40O11/c1-26-7-6-12(36-24-21(32)19(30)20(31)22(38-24)23(33)34)8-11(26)2-3-13-14-4-5-15(16(29)10-28)27(14)9-17(18(13)26)37-25(27)35/h11-15,17-22,24-25,28,30-32,35H,2-10H2,1H3,(H,33,34)/t11?,12?,13?,14?,15-,17+,18?,19-,20+,21-,22+,24-,25?,26+,27?/m1/s1

InChI Key

CGIURIOFMWUPSV-RUQPETGGSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as steroid glucuronide conjugates. These are sterol lipids containing a glucuronide moiety linked to the steroid skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroidal glycosides

Direct Parent

Steroid glucuronide conjugates

Alternative Parents

Not Available

Substituents

Not Available

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cell membrane (HMDB: HMDB0010357)

Biofluid or Excreta

Blood (HMDB: HMDB0010357)
Urine (HMDB: HMDB0010357)

Tissue substructure

Hepatic tissue (HMDB: HMDB0010357)

Organ

Liver (HMDB: HMDB0010357)
Kidney (HMDB: HMDB0010357)

Excreta

Biofluid or Excreta

Urine (PMID: 22624806)

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0010357)

Cellular substructure

Route of exposure

Enteral

Ingestion (HMDB: HMDB0010357)

Source

Endogenous

Endogenous (HMDB: HMDB0010357)

Animal

Animal (HMDB: HMDB0010357)

Exogenous

Food

Food (HMDB: HMDB0010357)

Animal origin

Poultry

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid peroxidation (HMDB: HMDB0010357)

Biochemical process

Fatty acid metabolism (HMDB: HMDB0010357)

Cellular process

Cell signaling (HMDB: HMDB0010357)

Biochemical pathway

Lipid metabolism pathway (HMDB: HMDB0010357)

Role

Biological role

Membrane stabilizer (HMDB: HMDB0010357)

Molecular messenger

Signaling molecule (HMDB: HMDB0010357)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0010357)

Emulsifier (HMDB: HMDB0010357)

Physical Properties

State

Solid

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	1.49 g/L	ALOGPS
logP	-0.06	ALOGPS
logP	-0.073	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	3.47	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	183.21 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	127.78 m³·mol⁻¹	ChemAxon
Polarizability	56.19 Å³	ChemAxon
Number of Rings	6	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
DarkChem	[M+H]+	224.06	31661259
DarkChem	[M-H]-	215.932	31661259
DeepCCS	[M-2H]-	253.559	30932474
DeepCCS	[M+Na]+	228.534	30932474
AllCCS	[M+H]+	224.8	32859911
AllCCS	[M+H-H2O]+	223.6	32859911
AllCCS	[M+NH4]+	225.8	32859911
AllCCS	[M+Na]+	226.1	32859911
AllCCS	[M-H]-	217.1	32859911
AllCCS	[M+Na-2H]-	218.8	32859911
AllCCS	[M+HCOO]-	220.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Tetrahydroaldosterone-3-glucuronide	[H][C@@]12CC3(C(O)O1)C(CC[C@@H]3C(=O)CO)C1CCC3CC(CC[C@]3(C)C21)O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O	3628.3	Standard polar	33892256
Tetrahydroaldosterone-3-glucuronide	[H][C@@]12CC3(C(O)O1)C(CC[C@@H]3C(=O)CO)C1CCC3CC(CC[C@]3(C)C21)O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O	4249.0	Standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide	[H][C@@]12CC3(C(O)O1)C(CC[C@@H]3C(=O)CO)C1CCC3CC(CC[C@]3(C)C21)O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O	4468.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Tetrahydroaldosterone-3-glucuronide,1TMS,isomer #1	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O[Si](C)(C)C)C12	4354.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,1TMS,isomer #2	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O)C12	4294.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,1TMS,isomer #3	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O)C12	4280.7	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,1TMS,isomer #4	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O)C12	4285.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,1TMS,isomer #5	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O)C12	4290.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,1TMS,isomer #6	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O)C12	4283.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,1TMS,isomer #7	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4276.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,1TMS,isomer #8	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4273.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #1	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O[Si](C)(C)C)C12	4246.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #10	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O)C12	4238.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #11	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O)C12	4235.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #12	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4213.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #13	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4244.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #14	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O)C12	4226.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #15	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O)C12	4227.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #16	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O)C12	4224.6	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #17	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4212.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #18	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4186.6	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #19	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O)C12	4220.0	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #2	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O[Si](C)(C)C)C12	4251.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #20	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O)C12	4231.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #21	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4218.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #22	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4179.0	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #23	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O)C12	4220.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #24	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4218.0	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #25	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4185.7	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #26	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4204.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #27	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4160.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #3	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O[Si](C)(C)C)C12	4249.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #4	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O[Si](C)(C)C)C12	4254.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #5	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4257.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #6	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4245.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #7	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4226.5	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #8	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O)C12	4223.0	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TMS,isomer #9	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O)C12	4232.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #1	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O[Si](C)(C)C)C12	4182.1	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #10	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4179.5	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #11	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4147.5	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #12	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O[Si](C)(C)C)C12	4193.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #13	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4196.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #14	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4169.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #15	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4130.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #16	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4195.0	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #17	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4175.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #18	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4139.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #19	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4175.0	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #2	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O[Si](C)(C)C)C12	4164.5	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #20	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4177.6	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #21	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O)C12	4177.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #22	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O)C12	4171.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #23	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O)C12	4175.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #24	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4150.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #25	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4156.0	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #26	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O)C12	4197.1	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #27	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O)C12	4196.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #28	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4171.7	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #29	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4183.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #3	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O[Si](C)(C)C)C12	4175.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #30	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O)C12	4202.7	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #31	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4168.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #32	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4178.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #33	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4175.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #34	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4182.6	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #35	C[C@]12CCC(O[C@@H]3O[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]3O)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O)C12	4170.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #36	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O)C12	4174.6	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #37	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4156.0	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #38	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4116.5	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #39	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O)C12	4200.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #4	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4177.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #40	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4164.0	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #41	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4123.5	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #42	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4166.1	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #43	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4123.6	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #44	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O)C12	4174.5	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #45	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4142.0	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #46	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4091.5	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #47	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4164.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #48	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4119.6	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #49	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4152.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #5	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4161.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #50	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4104.7	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #6	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4118.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #7	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O[Si](C)(C)C)C12	4191.0	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #8	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O[Si](C)(C)C)C12	4184.5	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TMS,isomer #9	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4190.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #1	C[C@]12CCC(O[C@@H]3O[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]3O)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O[Si](C)(C)C)C12	4109.6	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #10	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4103.1	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #11	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4095.0	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #12	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4053.6	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #13	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4102.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #14	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4100.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #15	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O[Si](C)(C)C)C12	4146.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #16	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4139.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #17	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4112.5	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #18	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4082.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #19	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4124.1	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #2	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O[Si](C)(C)C)C12	4102.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #20	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4111.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #21	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4077.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #22	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4130.0	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #23	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4134.1	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #24	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4136.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #25	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4112.6	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #26	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4077.5	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #27	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4117.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #28	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4118.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #29	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4117.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #3	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4117.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #30	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4116.6	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #31	C[C@]12CCC(O[C@@H]3O[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]3O)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O)C12	4113.6	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #32	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O)C12	4106.1	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #33	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4107.1	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #34	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4113.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #35	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O)C12	4116.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #36	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4096.7	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #37	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4096.0	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #38	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4101.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #39	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4101.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #4	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4108.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #40	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O)C12	4161.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #41	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4125.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #42	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4140.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #43	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4120.1	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #44	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4133.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #45	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4129.1	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #46	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4138.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #47	C[C@]12CCC(O[C@@H]3O[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]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O)C12	4121.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #48	C[C@]12CCC(O[C@@H]3O[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]3O)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4089.5	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #49	C[C@]12CCC(O[C@@H]3O[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]3O)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4053.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #5	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4069.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #50	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4088.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #51	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4049.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #52	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4137.5	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #53	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4094.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #54	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4087.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #55	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O)C12	4047.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #6	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O[Si](C)(C)C)C12	4104.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #7	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4110.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #8	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4088.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,4TMS,isomer #9	C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]3O)CC1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@H](OC4O[Si](C)(C)C)C12	4041.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1O[C@H]2CC13C(CC[C@@H]3C(=O)CO)C1CCC3CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]4O)CC[C@]3(C)C12	4570.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4532.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=O)CO)C56C[C@H](OC6O)C43)C2)[C@H](O)[C@@H]1O	4493.5	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=O)CO)C56C[C@H](OC6O)C43)C2)[C@@H]1O	4498.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=O)CO)C56C[C@H](OC6O)C43)C2)O[C@H](C(=O)O)[C@@H](O)[C@H]1O	4509.6	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=O)CO)C56C[C@H](OC6O)C43)C2)[C@H](O)[C@H](O)[C@@H]1O	4527.1	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(CO)=C1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC12C(O)O3	4516.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4483.1	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC21C(O[Si](C)(C)C(C)(C)C)O3	4730.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4691.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4703.7	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC12C(O)O3	4679.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4694.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=O)CO)C56C[C@H](OC6O)C43)C2)[C@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4675.0	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=O)CO)C56C[C@H](OC6O)C43)C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4656.0	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=O)CO)C56C[C@H](OC6O)C43)C2)[C@@H]1O	4649.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(CO)=C1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC12C(O)O3	4656.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4602.7	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=O)CO)C56C[C@H](OC6O)C43)C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4666.7	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=O)CO)C56C[C@H](OC6O[Si](C)(C)C(C)(C)C)C43)C2)[C@H](O)[C@H](O)[C@@H]1O	4709.6	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=O)CO)C56C[C@H](OC6O)C43)C2)O[C@H](C(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4660.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(CO)=C1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC12C(O)O3	4659.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4600.5	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=O)CO)C56C[C@H](OC6O)C43)C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	4681.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(CO)=C1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3[C@@H]3CC12C(O)O3	4673.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4619.0	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CCC(=C(CO)O[Si](C)(C)C(C)(C)C)C56C[C@H](OC6O)C43)C2)[C@H](O)[C@H](O)[C@@H]1O	4665.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=CO)O[Si](C)(C)C(C)(C)C)C56C[C@H](OC6O)C43)C2)[C@H](O)[C@H](O)[C@@H]1O	4601.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1O[C@H]2CC13C(CC[C@@H]3C(=O)CO)C1CCC3CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]4O)CC[C@]3(C)C12	4686.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1O[C@H]2CC13C(CC[C@@H]3C(=O)CO)C1CCC3CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)CC[C@]3(C)C12	4688.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1O[C@H]2CC13C(CC[C@@H]3C(=O)CO)C1CCC3CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)CC[C@]3(C)C12	4708.6	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(CO)=C1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC12C(O[Si](C)(C)C(C)(C)C)O3	4702.1	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC21C(O[Si](C)(C)C(C)(C)C)O3	4652.6	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4693.7	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4680.7	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC21C(O[Si](C)(C)C(C)(C)C)O3	4871.6	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CCC(=C(CO)O[Si](C)(C)C(C)(C)C)C56C[C@H](OC6O[Si](C)(C)C(C)(C)C)C43)C2)[C@H](O)[C@H](O)[C@@H]1O	4832.0	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=CO)O[Si](C)(C)C(C)(C)C)C56C[C@H](OC6O[Si](C)(C)C(C)(C)C)C43)C2)[C@H](O)[C@H](O)[C@@H]1O	4762.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1O[C@H]2CC13C(CC[C@@H]3C(=O)CO)C1CCC3CC(O[C@@H]4O[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]4O)CC[C@]3(C)C12	4813.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1O[C@H]2CC13C(CC[C@@H]3C(=O)CO)C1CCC3CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)CC[C@]3(C)C12	4823.1	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(CO)=C1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC12C(O[Si](C)(C)C(C)(C)C)O3	4826.1	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC21C(O[Si](C)(C)C(C)(C)C)O3	4765.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1O[C@H]2CC13C(CC[C@@H]3C(=O)CO)C1CCC3CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)CC[C@]3(C)C12	4827.1	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(CO)=C1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC12C(O[Si](C)(C)C(C)(C)C)O3	4815.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC21C(O[Si](C)(C)C(C)(C)C)O3	4754.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(CO)=C1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3[C@@H]3CC12C(O[Si](C)(C)C(C)(C)C)O3	4837.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC21C(O[Si](C)(C)C(C)(C)C)O3	4865.6	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3[C@@H]3CC21C(O[Si](C)(C)C(C)(C)C)O3	4769.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[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]5O)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4850.6	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[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]5O)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4837.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4857.6	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC12C(O)O3	4830.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4828.0	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[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]5O)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4835.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4843.1	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC12C(O)O3	4827.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4829.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC21C(O[Si](C)(C)C(C)(C)C)O3	4864.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4848.6	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC12C(O)O3	4826.6	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4829.5	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3[C@@H]3CC12C(O)O3	4840.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4844.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=O)CO)C56C[C@H](OC6O)C43)C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4815.1	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=O)CO)C56C[C@H](OC6O)C43)C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4804.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CCC(=C(CO)O[Si](C)(C)C(C)(C)C)C56C[C@H](OC6O)C43)C2)[C@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4810.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=CO)O[Si](C)(C)C(C)(C)C)C56C[C@H](OC6O)C43)C2)[C@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4744.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=O)CO)C56C[C@H](OC6O)C43)C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4817.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3[C@@H]3CC21C(O[Si](C)(C)C(C)(C)C)O3	4879.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(CO)=C1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3[C@@H]3CC12C(O)O3	4804.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4737.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(CO)=C1CCC2C3CCC4CC(O[C@@H]5O[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]5O)CC[C@]4(C)C3[C@@H]3CC12C(O)O3	4794.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[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]5O)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4731.7	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=O)CO)C56C[C@H](OC6O)C43)C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4814.3	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CCC(=C(CO)O[Si](C)(C)C(C)(C)C)C56C[C@H](OC6O)C43)C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4796.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=CO)O[Si](C)(C)C(C)(C)C)C56C[C@H](OC6O)C43)C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4723.7	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC(CO)=C1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3[C@@H]3CC12C(O)O3	4805.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3[C@@H]3CC21C(O)O3	4738.0	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CCC(=C(CO)O[Si](C)(C)C(C)(C)C)C56C[C@H](OC6O)C43)C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	4817.1	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC12C(O[Si](C)(C)C(C)(C)C)O3	4850.8	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=CO)O[Si](C)(C)C(C)(C)C)C56C[C@H](OC6O)C43)C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	4746.2	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3[C@@H]3CC21C(O[Si](C)(C)C(C)(C)C)O3	4844.4	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=O)CO)C56C[C@H](OC6O[Si](C)(C)C(C)(C)C)C43)C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	4848.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=O)CO)C56C[C@H](OC6O[Si](C)(C)C(C)(C)C)C43)C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4823.9	Semi standard non polar	33892256
Tetrahydroaldosterone-3-glucuronide,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2CC[C@@]3(C)C(CCC4C5CC[C@H](C(=O)CO)C56C[C@H](OC6O[Si](C)(C)C(C)(C)C)C43)C2)[C@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4841.5	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 - Tetrahydroaldosterone-3-glucuronide GC-MS (Non-derivatized) - 70eV, Positive	splash10-0ab9-6103690000-14047f2bdb0ef3dd341e	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (2 TMS) - 70eV, Positive	splash10-01b9-6100219000-9d173de05066ac0a8d12	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-10-13	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 - Tetrahydroaldosterone-3-glucuronide 10V, Positive-QTOF	splash10-01bd-0009160000-22ec70399a690aea5bda	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tetrahydroaldosterone-3-glucuronide 20V, Positive-QTOF	splash10-014j-0109000000-e0d766932d3840e4913d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tetrahydroaldosterone-3-glucuronide 40V, Positive-QTOF	splash10-0pvi-0229000000-c69b52480d42244e92a0	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tetrahydroaldosterone-3-glucuronide 10V, Negative-QTOF	splash10-01pa-2208490000-09855d6e39bfbeb9aa78	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tetrahydroaldosterone-3-glucuronide 20V, Negative-QTOF	splash10-03dj-2109210000-4ded13a1278e25bc2630	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tetrahydroaldosterone-3-glucuronide 40V, Negative-QTOF	splash10-08fr-4109000000-dfd16e49a098227e09d3	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tetrahydroaldosterone-3-glucuronide 10V, Positive-QTOF	splash10-0006-0000090000-39e628b55b951b77518f	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tetrahydroaldosterone-3-glucuronide 20V, Positive-QTOF	splash10-000b-0249130000-ba4c979ef6f5eec9393d	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tetrahydroaldosterone-3-glucuronide 40V, Positive-QTOF	splash10-0005-1916070000-9ed3e990712d132a8009	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tetrahydroaldosterone-3-glucuronide 10V, Negative-QTOF	splash10-000i-0000390000-33110ebe67045c65c29a	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tetrahydroaldosterone-3-glucuronide 20V, Negative-QTOF	splash10-0a4i-9101420000-e3cc0020a34c77863fcb	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tetrahydroaldosterone-3-glucuronide 40V, Negative-QTOF	splash10-0a4r-9003610000-08c23161a8e55aa0a0b7	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Membrane

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	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	22624806	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Not Available	22624806	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

FDB027509

KNApSAcK ID

Not Available

Chemspider ID

146888

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

167918

PDB ID

Not Available

ChEBI ID

88728

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

Only showing the first 10 proteins. There are 18 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. UDP-glucuronosyltransferase 2B28

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme has glucuronidating capacity with steroid substrates such as 5-beta-androstane 3-alpha,17-beta-diol, estradiol, ADT, eugenol and bile acids. Only isoform 1 seems to be active.
Gene Name:: UGT2B28
Uniprot ID:: Q9BY64
Molecular weight:: 38742.9

Enzyme Details

2. UDP-glucuronosyltransferase 2B4

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme is active on polyhydroxylated estrogens (such as estriol, 4-hydroxyestrone and 2-hydroxyestriol) and xenobiotics (such as 4-methylumbelliferone, 1-naphthol, 4-nitrophenol, 2-aminophenol, 4-hydroxybiphenyl and menthol). It is capable of 6 alpha-hydroxyglucuronidation of hyodeoxycholic acid.
Gene Name:: UGT2B4
Uniprot ID:: P06133
Molecular weight:: 60512.035

Enzyme Details

3. UDP-glucuronosyltransferase 1-4

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate.
Gene Name:: UGT1A4
Uniprot ID:: P22310
Molecular weight:: 60024.535

Enzyme Details

4. UDP-glucuronosyltransferase 2B7

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. Its unique specificity for 3,4-catechol estrogens and estriol suggests it may play an important role in regulating the level and activity of these potent and active estrogen metabolites. Is also active with androsterone, hyodeoxycholic acid and tetrachlorocatechol (in vitro).
Gene Name:: UGT2B7
Uniprot ID:: P16662
Molecular weight:: 60720.15

References

Girard C, Barbier O, Veilleux G, El-Alfy M, Belanger A: Human uridine diphosphate-glucuronosyltransferase UGT2B7 conjugates mineralocorticoid and glucocorticoid metabolites. Endocrinology. 2003 Jun;144(6):2659-68. [PubMed:12746330 ]

Enzyme Details

5. UDP-glucuronosyltransferase 2B15

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme displays activity toward several classes of xenobiotic substrates, including simple phenolic compounds, 7-hydroxylated coumarins, flavonoids, anthraquinones, and certain drugs and their hydroxylated metabolites. It also catalyzes the glucuronidation of endogenous estrogens and androgens.
Gene Name:: UGT2B15
Uniprot ID:: P54855
Molecular weight:: 61035.815

Enzyme Details

6. UDP-glucuronosyltransferase 2A1

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDP-glucuronosyltransferases catalyze phase II biotransformation reactions in which lipophilic substrates are conjugated with glucuronic acid to increase water solubility and enhance excretion. They are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. Active on odorants and seems to be involved in olfaction; it could help clear lipophilic odorant molecules from the sensory epithelium.
Gene Name:: UGT2A1
Uniprot ID:: Q9Y4X1
Molecular weight:: 60771.605

Enzyme Details

7. UDP-glucuronosyltransferase 1-1

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

Enzyme Details

8. UDP-glucuronosyltransferase 1-9

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform has specificity for phenols.
Gene Name:: UGT1A9
Uniprot ID:: O60656
Molecular weight:: 59940.495

Enzyme Details

9. UDP-glucuronosyltransferase 1-3

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds.
Gene Name:: UGT1A3
Uniprot ID:: P35503
Molecular weight:: 60337.835

Enzyme Details

10. UDP-glucuronosyltransferase 2B17

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. The major substrates of this isozyme are eugenol > 4-methylumbelliferone > dihydrotestosterone (DHT) > androstane-3-alpha,17-beta-diol (3-alpha-diol) > testosterone > androsterone (ADT).
Gene Name:: UGT2B17
Uniprot ID:: O75795
Molecular weight:: 61094.915

Only showing the first 10 proteins. There are 18 proteins in total.

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Showing metabocard for Tetrahydroaldosterone-3-glucuronide (HMDB0010357)

MOL for HMDB0010357 (Tetrahydroaldosterone-3-glucuronide)

3D MOL for HMDB0010357 (Tetrahydroaldosterone-3-glucuronide)

3D SDF for HMDB0010357 (Tetrahydroaldosterone-3-glucuronide)

3D-SDF for HMDB0010357 (Tetrahydroaldosterone-3-glucuronide)

PDB for HMDB0010357 (Tetrahydroaldosterone-3-glucuronide)

3D PDB for HMDB0010357 (Tetrahydroaldosterone-3-glucuronide)

SMILES for HMDB0010357 (Tetrahydroaldosterone-3-glucuronide)

INCHI for HMDB0010357 (Tetrahydroaldosterone-3-glucuronide)

Structure for HMDB0010357 (Tetrahydroaldosterone-3-glucuronide)

3D Structure for HMDB0010357 (Tetrahydroaldosterone-3-glucuronide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

References