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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 and Quantified

Creation Date

2008-09-16 08:06:15 UTC

Update Date

2021-09-14 15:18:00 UTC

HMDB ID

HMDB0010345

Secondary Accession Numbers

HMDB10345

Metabolite Identification

Common Name

Aldosterone 18-glucuronide

Description

Aldosterone 18-glucuronide is a natural human metabolite of Aldosterone 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 02241200512D          

 39 44  0  0  1  0            999 V2000
   17.1011   -6.8738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3426   -6.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3458   -6.2064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1124   -5.5066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9872   -6.3735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6118   -9.9527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1818   -4.8127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3712   -3.3758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7214   -3.3593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4768   -4.0614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4625   -5.4902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3810   -7.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1300   -8.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3591   -8.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6488   -8.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5340   -7.4729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.4319   -7.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2010   -7.6280    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8939   -8.7005    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.9231   -6.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7970   -8.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4577   -8.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3638   -9.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8787   -9.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6186   -9.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1340   -8.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6838   -6.9590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9143   -7.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3477   -8.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1025  -10.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3320   -9.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9373   -5.5149    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.5044   -7.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3569   -4.8046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.9516   -4.0860    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.7071   -4.7881    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1266   -4.0778    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.8821   -4.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8977   -7.1781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 20  1  0  0  0  0
  2 20  1  0  0  0  0
 32  2  1  6  0  0  0
  3 27  2  0  0  0  0
  4 32  1  0  0  0  0
  4 36  1  0  0  0  0
  5 33  1  0  0  0  0
  6 31  2  0  0  0  0
 34  7  1  1  0  0  0
 35  8  1  6  0  0  0
 37  9  1  1  0  0  0
 10 38  1  0  0  0  0
 11 38  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  1  0  0  0
 18 22  1  0  0  0  0
 18 27  1  1  0  0  0
 19 24  1  0  0  0  0
 19 26  1  0  0  0  0
 19 28  1  1  0  0  0
 21 22  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  1  0  0  0  0
 24 30  2  0  0  0  0
 26 29  1  0  0  0  0
 27 33  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  1  0  0  0  0
 32 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  6  0  0  0
M  END

HMDB0010345
     RDKit          3D
Aldosterone 18-glucuronide
 74 79  0  0  0  0  0  0  0  0999 V2000
   -2.7382   -1.0405   -3.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125   -1.3480   -2.1888 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6583   -2.5011   -1.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0593   -3.5671   -3.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5013   -3.8485   -2.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0974   -4.8141   -3.3352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3277   -2.9934   -1.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9127   -1.7759   -1.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6196   -0.8189   -0.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7673   -0.3524    0.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3018   -0.2750    0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5455    0.7160    0.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2922    1.8962    1.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2114    2.8838    1.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1049    2.3449    1.0769 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9660    3.4355    0.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3568    3.5105   -0.5247 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4271    4.5410    1.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9516    4.3858    2.8055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3791    1.3644    0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8744    1.8811   -1.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9538    0.5201   -1.9495 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2053   -0.1073   -1.6066 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5401    0.2696   -0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8859    0.5692   -0.1716 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5843   -0.2883    0.6326 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1489    0.3335    1.7596 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7900   -0.7100    2.4637 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8492   -0.4295    3.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3858   -1.2573    4.6568 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3239    0.7295    4.4458 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1314   -0.9098    1.8286 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5950   -2.1870    2.1382 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0397   -0.6815    0.3468 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5181    0.5665   -0.0303 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540   -0.9602   -0.2022 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4428   -2.3408   -0.2956 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2157   -0.0924   -1.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1983   -0.0358   -3.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4080   -1.7542   -4.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7439   -1.0877   -4.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8986   -2.9749   -0.9878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6045   -2.2423   -2.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4968   -4.4879   -2.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8772   -3.1230   -4.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2601   -3.3255   -1.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0087    0.0638   -1.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5153   -1.3150   -0.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9200   -1.0788    1.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1508    0.6152    0.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8766   -1.2873    0.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0857    0.2157    1.7254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8957    1.7149    2.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9311    2.3789    0.5462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0975    2.8989    2.7663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4273    3.8948    1.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6696    1.8525    1.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5216    4.6244    1.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276    5.5285    1.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1673    4.9612    2.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9068    2.2883   -1.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2443    2.5727   -1.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0383    0.6658   -3.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3715   -0.6380    0.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9318   -1.1028    1.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2096   -1.6639    2.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0895    0.8046    5.4175 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8504   -0.1697    2.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0187   -2.6172    1.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -1.4428   -0.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2823    1.2554    0.6684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6628   -0.5839   -1.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2752   -2.7007   -0.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0371    0.6476   -1.7033 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  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
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 11 12  1  0
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 13 14  1  0
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 34 35  1  0
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 36 37  1  0
 22 38  1  0
  8  2  1  0
 38 11  1  0
 38  2  1  0
 20 12  1  0
 36 26  1  0
 24 20  1  0
  1 39  1  0
  1 40  1  0
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  3 42  1  0
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  4 45  1  0
  7 46  1  0
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 21 61  1  0
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 28 66  1  1
 31 67  1  0
 32 68  1  1
 33 69  1  0
 34 70  1  6
 35 71  1  0
 36 72  1  6
 37 73  1  0
 38 74  1  0
M  END


  Mrv0541 02241200512D          

 39 44  0  0  1  0            999 V2000
   17.1011   -6.8738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3426   -6.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3458   -6.2064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1124   -5.5066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9872   -6.3735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6118   -9.9527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1818   -4.8127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3712   -3.3758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7214   -3.3593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4768   -4.0614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4625   -5.4902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3810   -7.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1300   -8.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3591   -8.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6488   -8.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5340   -7.4729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.4319   -7.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2010   -7.6280    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8939   -8.7005    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.9231   -6.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7970   -8.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4577   -8.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3638   -9.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8787   -9.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6186   -9.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1340   -8.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6838   -6.9590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9143   -7.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3477   -8.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1025  -10.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3320   -9.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9373   -5.5149    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.5044   -7.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3569   -4.8046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.9516   -4.0860    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.7071   -4.7881    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1266   -4.0778    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.8821   -4.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8977   -7.1781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 20  1  0  0  0  0
  2 20  1  0  0  0  0
 32  2  1  6  0  0  0
  3 27  2  0  0  0  0
  4 32  1  0  0  0  0
  4 36  1  0  0  0  0
  5 33  1  0  0  0  0
  6 31  2  0  0  0  0
 34  7  1  1  0  0  0
 35  8  1  6  0  0  0
 37  9  1  1  0  0  0
 10 38  1  0  0  0  0
 11 38  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  1  0  0  0
 18 22  1  0  0  0  0
 18 27  1  1  0  0  0
 19 24  1  0  0  0  0
 19 26  1  0  0  0  0
 19 28  1  1  0  0  0
 21 22  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  1  0  0  0  0
 24 30  2  0  0  0  0
 26 29  1  0  0  0  0
 27 33  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  1  0  0  0  0
 32 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  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0010345

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@]12CC3(C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)O1)C(CC[C@@H]3C(=O)CO)C1CCC3=CC(=O)CC[C@]3(C)C21

> <INCHI_IDENTIFIER>
InChI=1S/C27H36O11/c1-26-7-6-12(29)8-11(26)2-3-13-14-4-5-15(16(30)10-28)27(14)9-17(18(13)26)36-25(27)38-24-21(33)19(31)20(32)22(37-24)23(34)35/h8,13-15,17-22,24-25,28,31-33H,2-7,9-10H2,1H3,(H,34,35)/t13?,14?,15-,17-,18?,19+,20+,21-,22+,24+,25?,26+,27?/m1/s1

> <INCHI_KEY>
OMRIQCUHVVBJKI-ACOLCOCVSA-N

> <FORMULA>
C27H36O11

> <MOLECULAR_WEIGHT>
536.5681

> <EXACT_MASS>
536.225761994

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
53.41552015383395

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2S,14R,16R)-2-(2-hydroxyacetyl)-14-methyl-11-oxo-17-oxapentacyclo[14.2.1.0¹,⁵.0⁶,¹⁵.0⁹,¹⁴]nonadec-9-en-18-yl]oxy}oxane-2-carboxylic acid

> <ALOGPS_LOGP>
0.52

> <JCHEM_LOGP>
0.08873892400000014

> <ALOGPS_LOGS>
-2.51

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.214098354705955

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.338716953284478

> <JCHEM_PKA_STRONGEST_BASIC>
-3.2954153462875793

> <JCHEM_POLAR_SURFACE_AREA>
180.04999999999998

> <JCHEM_REFRACTIVITY>
127.57519999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.68e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2S,14R,16R)-2-(2-hydroxyacetyl)-14-methyl-11-oxo-17-oxapentacyclo[14.2.1.0¹,⁵.0⁶,¹⁵.0⁹,¹⁴]nonadec-9-en-18-yl]oxy}oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0010345
     RDKit          3D
Aldosterone 18-glucuronide
 74 79  0  0  0  0  0  0  0  0999 V2000
   -2.7382   -1.0405   -3.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125   -1.3480   -2.1888 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6583   -2.5011   -1.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0593   -3.5671   -3.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5013   -3.8485   -2.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0974   -4.8141   -3.3352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3277   -2.9934   -1.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9127   -1.7759   -1.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6196   -0.8189   -0.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7673   -0.3524    0.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3018   -0.2750    0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5455    0.7160    0.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2922    1.8962    1.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2114    2.8838    1.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1049    2.3449    1.0769 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9660    3.4355    0.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3568    3.5105   -0.5247 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4271    4.5410    1.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9516    4.3858    2.8055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3791    1.3644    0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8744    1.8811   -1.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9538    0.5201   -1.9495 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2053   -0.1073   -1.6066 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5401    0.2696   -0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8859    0.5692   -0.1716 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5843   -0.2883    0.6326 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1489    0.3335    1.7596 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7900   -0.7100    2.4637 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8492   -0.4295    3.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3858   -1.2573    4.6568 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3239    0.7295    4.4458 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1314   -0.9098    1.8286 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5950   -2.1870    2.1382 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0397   -0.6815    0.3468 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5181    0.5665   -0.0303 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540   -0.9602   -0.2022 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4428   -2.3408   -0.2956 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2157   -0.0924   -1.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1983   -0.0358   -3.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4080   -1.7542   -4.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7439   -1.0877   -4.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8986   -2.9749   -0.9878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6045   -2.2423   -2.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4968   -4.4879   -2.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8772   -3.1230   -4.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2601   -3.3255   -1.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0087    0.0638   -1.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5153   -1.3150   -0.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9200   -1.0788    1.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1508    0.6152    0.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8766   -1.2873    0.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0857    0.2157    1.7254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8957    1.7149    2.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9311    2.3789    0.5462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0975    2.8989    2.7663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4273    3.8948    1.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6696    1.8525    1.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5216    4.6244    1.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276    5.5285    1.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1673    4.9612    2.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9068    2.2883   -1.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2443    2.5727   -1.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0383    0.6658   -3.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3715   -0.6380    0.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9318   -1.1028    1.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2096   -1.6639    2.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0895    0.8046    5.4175 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8504   -0.1697    2.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0187   -2.6172    1.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -1.4428   -0.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2823    1.2554    0.6684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6628   -0.5839   -1.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2752   -2.7007   -0.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0371    0.6476   -1.7033 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  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 15 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  1  0
 29 30  2  0
 29 31  1  0
 28 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 22 38  1  0
  8  2  1  0
 38 11  1  0
 38  2  1  0
 20 12  1  0
 36 26  1  0
 24 20  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
  7 46  1  0
  9 47  1  0
  9 48  1  0
 10 49  1  0
 10 50  1  0
 11 51  1  0
 12 52  1  0
 13 53  1  0
 13 54  1  0
 14 55  1  0
 14 56  1  0
 15 57  1  1
 18 58  1  0
 18 59  1  0
 19 60  1  0
 21 61  1  0
 21 62  1  0
 22 63  1  6
 24 64  1  0
 26 65  1  1
 28 66  1  1
 31 67  1  0
 32 68  1  1
 33 69  1  0
 34 70  1  6
 35 71  1  0
 36 72  1  6
 37 73  1  0
 38 74  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      31.922 -12.831   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      34.240 -11.635   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      36.112 -11.585   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      31.943 -10.279   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      39.176 -11.897   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      25.409 -18.578   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      35.806  -8.984   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      34.293  -6.301   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      31.213  -6.271   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      28.890  -7.581   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      28.863 -10.248   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      34.311 -14.242   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      33.843 -15.709   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      32.404 -16.258   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      31.078 -15.474   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      30.863 -13.949   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      32.540 -14.657   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      35.842 -14.239   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      29.669 -16.241   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      33.456 -12.961   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      35.088 -16.600   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      36.321 -15.693   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      32.412 -17.862   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      29.640 -17.845   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      31.021 -18.661   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      28.250 -15.358   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      36.743 -12.990   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      29.707 -14.785   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      26.782 -16.156   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      28.191 -18.677   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      26.753 -17.827   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      33.483 -10.294   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      38.275 -13.146   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      34.266  -8.969   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      33.510  -7.627   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      31.187  -8.938   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      31.970  -7.612   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      29.647  -8.922   0.000  0.00  0.00           C+0
HETATM   39  H   UNK     0      29.676 -13.399   0.000  0.00  0.00           H+0
CONECT    1   16   20                                                       
CONECT    2   20   32                                                       
CONECT    3   27                                                            
CONECT    4   32   36                                                       
CONECT    5   33                                                            
CONECT    6   31                                                            
CONECT    7   34                                                            
CONECT    8   35                                                            
CONECT    9   37                                                            
CONECT   10   38                                                            
CONECT   11   38                                                            
CONECT   12   13   17   18   20                                             
CONECT   13   12   14   21                                                  
CONECT   14   13   15   23                                                  
CONECT   15   14   16   19                                                  
CONECT   16    1   15   17   39                                             
CONECT   17   12   16                                                       
CONECT   18   12   22   27                                                  
CONECT   19   15   24   26   28                                             
CONECT   20    1    2   12                                                  
CONECT   21   13   22                                                       
CONECT   22   18   21                                                       
CONECT   23   14   25                                                       
CONECT   24   19   25   30                                                  
CONECT   25   23   24                                                       
CONECT   26   19   29                                                       
CONECT   27    3   18   33                                                  
CONECT   28   19                                                            
CONECT   29   26   31                                                       
CONECT   30   24   31                                                       
CONECT   31    6   29   30                                                  
CONECT   32    2    4   34                                                  
CONECT   33    5   27                                                       
CONECT   34    7   32   35                                                  
CONECT   35    8   34   37                                                  
CONECT   36    4   37   38                                                  
CONECT   37    9   35   36                                                  
CONECT   38   10   11   36                                                  
CONECT   39   16                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   88    0
END

COMPND    HMDB0010345
HETATM    1  C1  UNL     1      -2.738  -1.041  -3.665  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.613  -1.348  -2.189  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.658  -2.501  -1.982  1.00  0.00           C  
HETATM    4  C4  UNL     1      -2.059  -3.567  -3.012  1.00  0.00           C  
HETATM    5  C5  UNL     1      -3.501  -3.849  -2.794  1.00  0.00           C  
HETATM    6  O1  UNL     1      -4.097  -4.814  -3.335  1.00  0.00           O  
HETATM    7  C6  UNL     1      -4.328  -2.993  -1.915  1.00  0.00           C  
HETATM    8  C7  UNL     1      -3.913  -1.776  -1.609  1.00  0.00           C  
HETATM    9  C8  UNL     1      -4.620  -0.819  -0.749  1.00  0.00           C  
HETATM   10  C9  UNL     1      -3.767  -0.352   0.414  1.00  0.00           C  
HETATM   11  C10 UNL     1      -2.302  -0.275   0.035  1.00  0.00           C  
HETATM   12  C11 UNL     1      -1.546   0.716   0.847  1.00  0.00           C  
HETATM   13  C12 UNL     1      -2.292   1.896   1.316  1.00  0.00           C  
HETATM   14  C13 UNL     1      -1.211   2.884   1.663  1.00  0.00           C  
HETATM   15  C14 UNL     1       0.105   2.345   1.077  1.00  0.00           C  
HETATM   16  C15 UNL     1       0.966   3.436   0.613  1.00  0.00           C  
HETATM   17  O2  UNL     1       1.357   3.511  -0.525  1.00  0.00           O  
HETATM   18  C16 UNL     1       1.427   4.541   1.526  1.00  0.00           C  
HETATM   19  O3  UNL     1       0.952   4.386   2.805  1.00  0.00           O  
HETATM   20  C17 UNL     1      -0.379   1.364   0.098  1.00  0.00           C  
HETATM   21  C18 UNL     1      -0.874   1.881  -1.220  1.00  0.00           C  
HETATM   22  C19 UNL     1      -0.954   0.520  -1.949  1.00  0.00           C  
HETATM   23  O4  UNL     1       0.205  -0.107  -1.607  1.00  0.00           O  
HETATM   24  C20 UNL     1       0.540   0.270  -0.299  1.00  0.00           C  
HETATM   25  O5  UNL     1       1.886   0.569  -0.172  1.00  0.00           O  
HETATM   26  C21 UNL     1       2.584  -0.288   0.633  1.00  0.00           C  
HETATM   27  O6  UNL     1       3.149   0.333   1.760  1.00  0.00           O  
HETATM   28  C22 UNL     1       3.790  -0.710   2.464  1.00  0.00           C  
HETATM   29  C23 UNL     1       3.849  -0.429   3.907  1.00  0.00           C  
HETATM   30  O7  UNL     1       4.386  -1.257   4.657  1.00  0.00           O  
HETATM   31  O8  UNL     1       3.324   0.729   4.446  1.00  0.00           O  
HETATM   32  C24 UNL     1       5.131  -0.910   1.829  1.00  0.00           C  
HETATM   33  O9  UNL     1       5.595  -2.187   2.138  1.00  0.00           O  
HETATM   34  C25 UNL     1       5.040  -0.682   0.347  1.00  0.00           C  
HETATM   35  O10 UNL     1       5.518   0.566  -0.030  1.00  0.00           O  
HETATM   36  C26 UNL     1       3.654  -0.960  -0.202  1.00  0.00           C  
HETATM   37  O11 UNL     1       3.443  -2.341  -0.296  1.00  0.00           O  
HETATM   38  C27 UNL     1      -2.216  -0.092  -1.452  1.00  0.00           C  
HETATM   39  H1  UNL     1      -3.198  -0.036  -3.781  1.00  0.00           H  
HETATM   40  H2  UNL     1      -3.408  -1.754  -4.181  1.00  0.00           H  
HETATM   41  H3  UNL     1      -1.744  -1.088  -4.116  1.00  0.00           H  
HETATM   42  H4  UNL     1      -1.899  -2.975  -0.988  1.00  0.00           H  
HETATM   43  H5  UNL     1      -0.605  -2.242  -2.067  1.00  0.00           H  
HETATM   44  H6  UNL     1      -1.497  -4.488  -2.828  1.00  0.00           H  
HETATM   45  H7  UNL     1      -1.877  -3.123  -4.012  1.00  0.00           H  
HETATM   46  H8  UNL     1      -5.260  -3.325  -1.511  1.00  0.00           H  
HETATM   47  H9  UNL     1      -5.009   0.064  -1.315  1.00  0.00           H  
HETATM   48  H10 UNL     1      -5.515  -1.315  -0.324  1.00  0.00           H  
HETATM   49  H11 UNL     1      -3.920  -1.079   1.240  1.00  0.00           H  
HETATM   50  H12 UNL     1      -4.151   0.615   0.744  1.00  0.00           H  
HETATM   51  H13 UNL     1      -1.877  -1.287   0.255  1.00  0.00           H  
HETATM   52  H14 UNL     1      -1.086   0.216   1.725  1.00  0.00           H  
HETATM   53  H15 UNL     1      -2.896   1.715   2.236  1.00  0.00           H  
HETATM   54  H16 UNL     1      -2.931   2.379   0.546  1.00  0.00           H  
HETATM   55  H17 UNL     1      -1.097   2.899   2.766  1.00  0.00           H  
HETATM   56  H18 UNL     1      -1.427   3.895   1.260  1.00  0.00           H  
HETATM   57  H19 UNL     1       0.670   1.852   1.935  1.00  0.00           H  
HETATM   58  H20 UNL     1       2.522   4.624   1.441  1.00  0.00           H  
HETATM   59  H21 UNL     1       1.028   5.529   1.154  1.00  0.00           H  
HETATM   60  H22 UNL     1       0.167   4.961   2.981  1.00  0.00           H  
HETATM   61  H23 UNL     1      -1.907   2.288  -1.188  1.00  0.00           H  
HETATM   62  H24 UNL     1      -0.244   2.573  -1.752  1.00  0.00           H  
HETATM   63  H25 UNL     1      -1.038   0.666  -3.029  1.00  0.00           H  
HETATM   64  H26 UNL     1       0.371  -0.638   0.319  1.00  0.00           H  
HETATM   65  H27 UNL     1       1.932  -1.103   1.056  1.00  0.00           H  
HETATM   66  H28 UNL     1       3.210  -1.664   2.293  1.00  0.00           H  
HETATM   67  H29 UNL     1       3.090   0.805   5.418  1.00  0.00           H  
HETATM   68  H30 UNL     1       5.850  -0.170   2.243  1.00  0.00           H  
HETATM   69  H31 UNL     1       6.019  -2.617   1.357  1.00  0.00           H  
HETATM   70  H32 UNL     1       5.712  -1.443  -0.133  1.00  0.00           H  
HETATM   71  H33 UNL     1       5.282   1.255   0.668  1.00  0.00           H  
HETATM   72  H34 UNL     1       3.663  -0.584  -1.256  1.00  0.00           H  
HETATM   73  H35 UNL     1       4.275  -2.701  -0.726  1.00  0.00           H  
HETATM   74  H36 UNL     1      -3.037   0.648  -1.703  1.00  0.00           H  
CONECT    1    2   39   40   41
CONECT    2    3    8   38
CONECT    3    4   42   43
CONECT    4    5   44   45
CONECT    5    6    6    7
CONECT    7    8    8   46
CONECT    8    9
CONECT    9   10   47   48
CONECT   10   11   49   50
CONECT   11   12   38   51
CONECT   12   13   20   52
CONECT   13   14   53   54
CONECT   14   15   55   56
CONECT   15   16   20   57
CONECT   16   17   17   18
CONECT   18   19   58   59
CONECT   19   60
CONECT   20   21   24
CONECT   21   22   61   62
CONECT   22   23   38   63
CONECT   23   24
CONECT   24   25   64
CONECT   25   26
CONECT   26   27   36   65
CONECT   27   28
CONECT   28   29   32   66
CONECT   29   30   30   31
CONECT   31   67
CONECT   32   33   34   68
CONECT   33   69
CONECT   34   35   36   70
CONECT   35   71
CONECT   36   37   72
CONECT   37   73
CONECT   38   74
END

HMDB0010345
     RDKit          3D
Aldosterone 18-glucuronide
 74 79  0  0  0  0  0  0  0  0999 V2000
   -2.7382   -1.0405   -3.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125   -1.3480   -2.1888 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6583   -2.5011   -1.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0593   -3.5671   -3.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5013   -3.8485   -2.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0974   -4.8141   -3.3352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3277   -2.9934   -1.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9127   -1.7759   -1.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6196   -0.8189   -0.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7673   -0.3524    0.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3018   -0.2750    0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5455    0.7160    0.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2922    1.8962    1.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2114    2.8838    1.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1049    2.3449    1.0769 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9660    3.4355    0.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3568    3.5105   -0.5247 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4271    4.5410    1.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9516    4.3858    2.8055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3791    1.3644    0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8744    1.8811   -1.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9538    0.5201   -1.9495 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2053   -0.1073   -1.6066 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5401    0.2696   -0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8859    0.5692   -0.1716 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5843   -0.2883    0.6326 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1489    0.3335    1.7596 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7900   -0.7100    2.4637 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8492   -0.4295    3.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3858   -1.2573    4.6568 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3239    0.7295    4.4458 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1314   -0.9098    1.8286 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5950   -2.1870    2.1382 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0397   -0.6815    0.3468 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5181    0.5665   -0.0303 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540   -0.9602   -0.2022 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4428   -2.3408   -0.2956 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2157   -0.0924   -1.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1983   -0.0358   -3.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4080   -1.7542   -4.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7439   -1.0877   -4.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8986   -2.9749   -0.9878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6045   -2.2423   -2.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4968   -4.4879   -2.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8772   -3.1230   -4.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2601   -3.3255   -1.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0087    0.0638   -1.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5153   -1.3150   -0.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9200   -1.0788    1.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1508    0.6152    0.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8766   -1.2873    0.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0857    0.2157    1.7254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8957    1.7149    2.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9311    2.3789    0.5462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0975    2.8989    2.7663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4273    3.8948    1.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6696    1.8525    1.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5216    4.6244    1.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276    5.5285    1.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1673    4.9612    2.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9068    2.2883   -1.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2443    2.5727   -1.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0383    0.6658   -3.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3715   -0.6380    0.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9318   -1.1028    1.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2096   -1.6639    2.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0895    0.8046    5.4175 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8504   -0.1697    2.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0187   -2.6172    1.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -1.4428   -0.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2823    1.2554    0.6684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6628   -0.5839   -1.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2752   -2.7007   -0.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0371    0.6476   -1.7033 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  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 15 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  1  0
 29 30  2  0
 29 31  1  0
 28 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 22 38  1  0
  8  2  1  0
 38 11  1  0
 38  2  1  0
 20 12  1  0
 36 26  1  0
 24 20  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
  7 46  1  0
  9 47  1  0
  9 48  1  0
 10 49  1  0
 10 50  1  0
 11 51  1  0
 12 52  1  0
 13 53  1  0
 13 54  1  0
 14 55  1  0
 14 56  1  0
 15 57  1  1
 18 58  1  0
 18 59  1  0
 19 60  1  0
 21 61  1  0
 21 62  1  0
 22 63  1  6
 24 64  1  0
 26 65  1  1
 28 66  1  1
 31 67  1  0
 32 68  1  1
 33 69  1  0
 34 70  1  6
 35 71  1  0
 36 72  1  6
 37 73  1  0
 38 74  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
11beta,18-Epoxy-21-hydroxy-3,20-dioxopregn-4-en-18-yl-beta-D-glucopyranosiduronic acid	HMDB
11beta,18-Epoxy-21-hydroxy-3,20-dioxopregn-4-en-18-yl-beta-delta-glucopyranosiduronic acid	HMDB
Aldosterone-18-D-glucosiduronic acid	HMDB
Aldosterone-18-D-glucuronoside	HMDB
Aldosterone-18-delta-glucosiduronic acid	HMDB
Aldosterone-18-delta-glucuronoside	HMDB

Chemical Formula

C₂₇H₃₆O₁₁

Average Molecular Weight

536.5681

Monoisotopic Molecular Weight

536.225761994

IUPAC Name

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2S,14R,16R)-2-(2-hydroxyacetyl)-14-methyl-11-oxo-17-oxapentacyclo[14.2.1.0¹,⁵.0⁶,¹⁵.0⁹,¹⁴]nonadec-9-en-18-yl]oxy}oxane-2-carboxylic acid

Traditional Name

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2S,14R,16R)-2-(2-hydroxyacetyl)-14-methyl-11-oxo-17-oxapentacyclo[14.2.1.0¹,⁵.0⁶,¹⁵.0⁹,¹⁴]nonadec-9-en-18-yl]oxy}oxane-2-carboxylic acid

CAS Registry Number

3604-86-2

SMILES

[H][C@]12CC3(C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)O1)C(CC[C@@H]3C(=O)CO)C1CCC3=CC(=O)CC[C@]3(C)C21

InChI Identifier

InChI=1S/C27H36O11/c1-26-7-6-12(29)8-11(26)2-3-13-14-4-5-15(16(30)10-28)27(14)9-17(18(13)26)36-25(27)38-24-21(33)19(31)20(32)22(37-24)23(34)35/h8,13-15,17-22,24-25,28,31-33H,2-7,9-10H2,1H3,(H,34,35)/t13?,14?,15-,17-,18?,19+,20+,21-,22+,24+,25?,26+,27?/m1/s1

InChI Key

OMRIQCUHVVBJKI-ACOLCOCVSA-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

Substituents

Steroid-glucuronide-skeleton
1-o-glucuronide
O-glucuronide
Glucuronic acid or derivatives
Glycosyl compound
O-glycosyl compound
Beta-hydroxy acid
Oxepane
Cyclohexenone
Hydroxy acid
Monosaccharide
Oxane
Pyran
Tetrahydrofuran
Alpha-hydroxy ketone
Cyclic ketone
Ketone
Secondary alcohol
Acetal
Organoheterocyclic compound
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Monocarboxylic acid or derivatives
Polyol
Hydrocarbon derivative
Organic oxygen compound
Organic oxide
Carbonyl group
Organooxygen compound
Primary alcohol
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Health effect

Circulatory system disorder

Vascular disorder

Hypertension (HMDB: HMDB0010345)

Disposition

Biological location

Cell membrane (HMDB: HMDB0010345)

Biofluid or Excreta

Blood (HMDB: HMDB0010345)
Urine (HMDB: HMDB0010345)

Tissue substructure

Hepatic tissue (HMDB: HMDB0010345)

Organ

Liver (HMDB: HMDB0010345)
Kidney (HMDB: HMDB0010345)

Excreta

Biofluid or Excreta

Urine (PMID: 12850384)

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0010345)

Cellular substructure

Route of exposure

Enteral

Ingestion (HMDB: HMDB0010345)

Source

Endogenous

Endogenous (HMDB: HMDB0010345)

Animal

Animal (HMDB: HMDB0010345)

Exogenous

Food

Food (HMDB: HMDB0010345)

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: HMDB0010345)

Biochemical process

Fatty acid metabolism (HMDB: HMDB0010345)

Cellular process

Cell signaling (HMDB: HMDB0010345)

Biochemical pathway

Lipid metabolism pathway (HMDB: HMDB0010345)

Role

Biological role

Membrane stabilizer (HMDB: HMDB0010345)

Molecular messenger

Signaling molecule (HMDB: HMDB0010345)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0010345)

Emulsifier (HMDB: HMDB0010345)

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	1.68 g/L	ALOGPS
logP	0.52	ALOGPS
logP	0.089	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	3.34	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	180.05 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	127.58 m³·mol⁻¹	ChemAxon
Polarizability	53.42 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
DeepCCS	[M-2H]-	252.786	30932474
DeepCCS	[M+Na]+	226.636	30932474
AllCCS	[M+H]+	222.0	32859911
AllCCS	[M+H-H2O]+	220.6	32859911
AllCCS	[M+NH4]+	223.2	32859911
AllCCS	[M+Na]+	223.5	32859911
AllCCS	[M-H]-	217.3	32859911
AllCCS	[M+Na-2H]-	218.8	32859911
AllCCS	[M+HCOO]-	220.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Aldosterone 18-glucuronide	[H][C@]12CC3(C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)O1)C(CC[C@@H]3C(=O)CO)C1CCC3=CC(=O)CC[C@]3(C)C21	4318.7	Standard polar	33892256
Aldosterone 18-glucuronide	[H][C@]12CC3(C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)O1)C(CC[C@@H]3C(=O)CO)C1CCC3=CC(=O)CC[C@]3(C)C21	4101.8	Standard non polar	33892256
Aldosterone 18-glucuronide	[H][C@]12CC3(C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)O1)C(CC[C@@H]3C(=O)CO)C1CCC3=CC(=O)CC[C@]3(C)C21	4594.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Aldosterone 18-glucuronide,1TMS,isomer #1	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C12	4367.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,1TMS,isomer #2	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C12	4373.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,1TMS,isomer #3	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C12	4372.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,1TMS,isomer #4	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C12	4341.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,1TMS,isomer #5	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C12	4376.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,1TMS,isomer #6	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C12	4336.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,1TMS,isomer #7	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C12	4327.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,1TMS,isomer #8	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C12	4290.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #1	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C12	4310.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #10	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[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)C12	4300.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #11	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C12	4285.6	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #12	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C12	4211.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #13	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C12	4244.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #14	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C12	4320.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #15	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[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)C12	4277.6	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #16	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C12	4276.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #17	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C12	4217.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #18	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C12	4238.2	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #19	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C12	4283.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #2	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[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)C12	4288.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #20	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C12	4251.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #21	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C12	4191.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #22	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C12	4204.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #23	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C12	4275.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #24	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C12	4223.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #25	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C12	4321.2	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #26	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C12	4220.6	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #27	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C12	4197.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #3	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[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)C12	4300.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #4	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[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)C12	4294.2	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #5	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C12	4276.3	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #6	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C12	4216.3	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #7	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C12	4243.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #8	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C12	4333.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TMS,isomer #9	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[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)C12	4286.3	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #1	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4248.2	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #10	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[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)C12	4152.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #11	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4161.3	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #12	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[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)C12	4246.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #13	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4233.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #14	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[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)C12	4161.2	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #15	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4186.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #16	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4230.6	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #17	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[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)C12	4160.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #18	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4185.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #19	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C12	4170.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #2	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4266.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #20	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C12	4135.6	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #21	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4260.3	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #22	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4273.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #23	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C12	4246.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #24	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C12	4179.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #25	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C12	4255.2	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #26	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[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)C12	4236.6	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #27	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4211.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #28	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[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)C12	4144.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #29	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4152.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #3	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4264.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #30	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4230.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #31	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[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)C12	4166.3	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #32	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4181.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #33	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C12	4165.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #34	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C12	4125.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #35	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4244.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #36	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C12	4234.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #37	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C12	4179.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #38	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C12	4250.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #39	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4206.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #4	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C12	4233.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #40	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[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)C12	4144.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #41	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4156.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #42	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C12	4166.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #43	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C12	4133.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #44	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C12	4208.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #45	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C12	4155.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #46	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C12	4215.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #47	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C12	4157.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #48	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C12	4113.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #49	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C12	4171.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #5	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C12	4176.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #50	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C12	4180.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #6	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C12	4249.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #7	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[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)C12	4235.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #8	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[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)C12	4234.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TMS,isomer #9	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4209.6	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #1	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4212.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #10	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4201.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #11	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4130.6	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #12	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4203.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #13	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C12	4133.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #14	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C12	4135.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #15	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[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)C12	4192.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #16	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4176.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #17	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[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)C12	4105.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #18	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4127.2	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #19	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4169.2	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #2	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4208.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #20	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[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)C12	4102.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #21	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4121.3	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #22	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4114.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #23	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4081.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #24	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4215.6	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #25	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[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)C12	4139.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #26	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4168.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #27	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4126.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #28	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4098.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #29	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4125.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #3	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4177.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #30	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4093.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #31	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4213.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #32	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4185.2	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #33	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4112.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #34	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4178.3	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #35	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4206.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #36	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4138.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #37	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4203.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #38	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C12	4126.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #39	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C12	4124.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #4	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4113.2	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #40	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4170.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #41	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[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)C12	4102.6	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #42	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4116.2	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #43	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4102.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #44	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4059.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #45	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4127.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #46	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4092.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #47	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4179.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #48	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4112.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #49	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4175.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #5	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4174.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #50	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C12	4130.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #51	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C12	4130.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #52	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4111.6	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #53	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4073.6	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #54	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C12	4117.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #55	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C12	4111.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #6	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4229.2	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #7	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4207.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #8	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4140.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,4TMS,isomer #9	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4213.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #1	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4194.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #10	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4211.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #11	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4129.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #12	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4188.2	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #13	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4113.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #14	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4095.6	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #15	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4107.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #16	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4090.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #17	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4166.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #18	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[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)C12	4083.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #19	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4119.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #2	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4162.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #20	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4073.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #21	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4031.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #22	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4074.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #23	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4033.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #24	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4115.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #25	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4076.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #26	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4164.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #27	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4089.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #28	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4139.2	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #29	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4082.2	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #3	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4080.2	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #30	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4055.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #31	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4108.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #32	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4084.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #33	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4077.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #34	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4030.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #35	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4086.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #36	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4067.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #4	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4140.6	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #5	C[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4155.3	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #6	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=O)CO[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4078.3	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #7	C[C@]12CCC(=O)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4131.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #8	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4087.6	Semi standard non polar	33892256
Aldosterone 18-glucuronide,5TMS,isomer #9	C[C@]12CC=C(O[Si](C)(C)C)C=C1CCC1C3CC[C@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)C34C[C@@H](OC4O[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)C12	4072.3	Semi standard non polar	33892256
Aldosterone 18-glucuronide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=O)CO)C2CCC4=CC(=O)CC[C@]4(C)C23)[C@H](O)[C@H]1O	4557.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=O)CO)C2CCC4=CC(=O)CC[C@]4(C)C23)O[C@H](C(=O)O)[C@H]1O	4567.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=O)CO)C2CCC4=CC(=O)CC[C@]4(C)C23)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O	4563.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=O)CO)C2CCC4=CC(=O)CC[C@]4(C)C23)[C@H](O)[C@@H](O)[C@@H]1O	4574.3	Semi standard non polar	33892256
Aldosterone 18-glucuronide,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)O3	4599.3	Semi standard non polar	33892256
Aldosterone 18-glucuronide,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(CO)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC12C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)O3	4577.3	Semi standard non polar	33892256
Aldosterone 18-glucuronide,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)O3	4519.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C12	4524.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=O)CO)C2CCC4=CC(=O)CC[C@]4(C)C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4721.6	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=O)CO)C2CCC4=CC(=O)CC[C@]4(C)C23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4723.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(CO)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC12C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O3	4723.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O3	4667.2	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C12	4666.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O3	4754.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=O)CO)C2CCC4=CC(=O)CC[C@]4(C)C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4718.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(CO)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC12C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O3	4720.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O3	4666.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C12	4678.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)O3	4750.6	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)O3	4736.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2O[C@@H]3CC24C(=C(CO)O[Si](C)(C)C(C)(C)C)CCC4C2CCC4=CC(=O)CC[C@]4(C)C23)[C@H](O)[C@@H](O)[C@@H]1O	4715.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=CO)O[Si](C)(C)C(C)(C)C)C2CCC4=CC(=O)CC[C@]4(C)C23)[C@H](O)[C@@H](O)[C@@H]1O	4645.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=O)CO)C2CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C23)[C@H](O)[C@@H](O)[C@@H]1O	4660.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC12C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)O3	4741.3	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)O3	4743.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)O3	4699.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CCC1C3CCC(=C(CO)O[Si](C)(C)C(C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C12	4685.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C(C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C12	4628.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=O)CO)C2CCC4=CC(=O)CC[C@]4(C)C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4691.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=O)CO)C2CCC4=CC(=O)CC[C@]4(C)C23)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4695.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(CO)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC12C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)O3	4710.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)O3	4657.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C12	4660.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=O)CO)C2CCC4=CC(=O)CC[C@]4(C)C23)[C@@H]1O[Si](C)(C)C(C)(C)C	4704.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O3	4758.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[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]1O)O3	4919.2	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)O3	4875.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)O3	4853.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=O)CO)C2CCC4=CC(=O)CC[C@]4(C)C23)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C(C)(C)C	4872.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(CO)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC12C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O3	4867.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O3	4812.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C12	4809.3	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(CO)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC12C(O[C@@H]1O[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]1O)O3	4865.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[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]1O)O3	4809.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[C@@H]3O[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]3O)C12	4803.2	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CCC1C3CCC(=C(CO)O[Si](C)(C)C(C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C12	4821.3	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=O)CO)C2CCC4=CC(=O)CC[C@]4(C)C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4873.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C(C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C12	4757.3	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=O)CO)C2CCC4=CC(=O)CC[C@]4(C)C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4874.6	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)O3	4919.3	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(CO)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC12C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)O3	4876.3	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)O3	4819.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CCC1C3CC[C@H](C(=O)CO)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C12	4815.2	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[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]1O)O3	4928.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC12C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O3	4917.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O3	4891.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O3	4862.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=O)CO)C2CCC4=CC(=O)CC[C@]4(C)C23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4872.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2O[C@@H]3CC24C(=C(CO)O[Si](C)(C)C(C)(C)C)CCC4C2CCC4=CC(=O)CC[C@]4(C)C23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4879.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=CO)O[Si](C)(C)C(C)(C)C)C2CCC4=CC(=O)CC[C@]4(C)C23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4809.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=O)CO)C2CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4810.2	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CCC1C3CCC(=C(CO)O[Si](C)(C)C(C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C12	4818.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C(C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C12	4752.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O3	4927.8	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC12C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O3	4914.7	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O3	4896.6	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O3	4873.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2O[C@@H]3CC24C(=C(CO)O[Si](C)(C)C(C)(C)C)CCC4C2CCC4=CC(=O)CC[C@]4(C)C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4878.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2O[C@@H]3CC24C(=C(CO)O[Si](C)(C)C(C)(C)C)CCC4C2CCC4=CC(=O)CC[C@]4(C)C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4875.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=CO)O[Si](C)(C)C(C)(C)C)C2CCC4=CC(=O)CC[C@]4(C)C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4812.6	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=O)CO)C2CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4820.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CCC1C3CCC(=C(CO)O[Si](C)(C)C(C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C12	4833.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CCC1C3CC[C@H](C(=CO)O[Si](C)(C)C(C)(C)C)C34C[C@@H](OC4O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C12	4764.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC12C(O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)O3	4901.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)O3	4876.2	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)O3	4851.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2O[C@@H]3CC24C(=C(CO)O[Si](C)(C)C(C)(C)C)CCC4C2CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C23)[C@H](O)[C@@H](O)[C@@H]1O	4815.4	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=CO)O[Si](C)(C)C(C)(C)C)C2CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C23)[C@H](O)[C@@H](O)[C@@H]1O	4739.1	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3[C@H]3CC12C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)O3	4847.0	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=CO)O[Si](C)(C)C(C)(C)C)C2CCC4=CC(=O)CC[C@]4(C)C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4808.3	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)O3	4833.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2O[C@@H]3CC24C(CC[C@@H]4C(=O)CO)C2CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4816.3	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[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]1O)O3	4907.5	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC21C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O3	4906.9	Semi standard non polar	33892256
Aldosterone 18-glucuronide,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H]3CC12C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)O3	4897.3	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 - Aldosterone 18-glucuronide GC-MS (Non-derivatized) - 70eV, Positive	splash10-0ar0-6402690000-f6883434cd9b283dd8c2	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (2 TMS) - 70eV, Positive	splash10-01ba-3523019000-db1849d7bc6d8d89f58e	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-glucuronide GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aldosterone 18-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 - Aldosterone 18-glucuronide 10V, Positive-QTOF	splash10-0403-0409050000-f124277ffdc08339588d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aldosterone 18-glucuronide 20V, Positive-QTOF	splash10-03fu-0419010000-5fdd32f3c9923afc2b62	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aldosterone 18-glucuronide 40V, Positive-QTOF	splash10-0uem-2988000000-8d0e0f23995861ec3cfc	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aldosterone 18-glucuronide 10V, Negative-QTOF	splash10-0a4r-2209370000-37d0cbab92230b6865df	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aldosterone 18-glucuronide 20V, Negative-QTOF	splash10-0a4i-3309210000-e793687d092724829b5f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aldosterone 18-glucuronide 40V, Negative-QTOF	splash10-0a4l-9306100000-260bcd50a7d6dc1c5aab	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aldosterone 18-glucuronide 10V, Negative-QTOF	splash10-000i-0101090000-2e65a79a09d24fcd650a	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aldosterone 18-glucuronide 20V, Negative-QTOF	splash10-0a4i-2039730000-1e9bedd5329b46b215f2	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aldosterone 18-glucuronide 40V, Negative-QTOF	splash10-052e-9076000000-27cbd0cb4555175eae1b	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aldosterone 18-glucuronide 10V, Positive-QTOF	splash10-014u-0004390000-838ef036bf2077c4e21e	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aldosterone 18-glucuronide 20V, Positive-QTOF	splash10-00n0-0825890000-9b049b0ace759577e1d5	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aldosterone 18-glucuronide 40V, Positive-QTOF	splash10-001s-0579100000-2b5ad74c6aa62fa23da3	2021-09-25	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 and Quantified	0.0008 (0.0004-0.0021) umol/mmol creatinine	Adult (>18 years old)	Both	Normal	12850384	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Urine	Detected and Quantified	0.0015 (0.00012-0.0030) umol/mmol creatinine	Adult (>18 years old)	Both	Hyperaldosteronism	12505784	details
Urine	Detected and Quantified	0.001 (0.00034-0.0022) umol/mmol creatinine	Adult (>18 years old)	Both	Hypertension	12850384	details

Associated Disorders and Diseases

Disease References

Hypertension
Abdelhamid S, Blomer R, Hommel G, Haack D, Lewicka S, Fiegel P, Krumme B: Urinary tetrahydroaldosterone as a screening method for primary aldosteronism: a comparative study. Am J Hypertens. 2003 Jul;16(7):522-30. [PubMed:12850384 ]
Aldosteronism
Shakerdi LA, Connell JM, Fraser R, Wallace AM: Analysis of biological samples by gas chromatography-mass spectrometry without a reference standard: measurement of urinary 18-hydroxytetrahydro-11-dehydrocorticosterone excretion rate in human subjects. J Chromatogr B Analyt Technol Biomed Life Sci. 2003 Feb 5;784(2):367-73. [PubMed:12505784 ]

Associated OMIM IDs

145500 (Hypertension)
103900 (Aldosteronism)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB027497

KNApSAcK ID

Not Available

Chemspider ID

141209

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

160706

PDB ID

Not Available

ChEBI ID

88734

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.

Show all enzymes and transporters

Showing metabocard for Aldosterone 18-glucuronide (HMDB0010345)

MOL for HMDB0010345 (Aldosterone 18-glucuronide)

3D MOL for HMDB0010345 (Aldosterone 18-glucuronide)

3D SDF for HMDB0010345 (Aldosterone 18-glucuronide)

3D-SDF for HMDB0010345 (Aldosterone 18-glucuronide)

PDB for HMDB0010345 (Aldosterone 18-glucuronide)

3D PDB for HMDB0010345 (Aldosterone 18-glucuronide)

SMILES for HMDB0010345 (Aldosterone 18-glucuronide)

INCHI for HMDB0010345 (Aldosterone 18-glucuronide)

Structure for HMDB0010345 (Aldosterone 18-glucuronide)

3D Structure for HMDB0010345 (Aldosterone 18-glucuronide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

Enzymes

References