MiMeDB: Showing metabocard for ouabain (MMDBc0054617)

Pharmaceutical

Xenobiotic

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-06-05 23:21:25 UTC

Update Date

2024-10-11 00:57:23 UTC

Metabolite ID

MMDBc0054617

Metabolite Identification

Common Name

ouabain

Description

Ouabain is only found in individuals that have used or taken this drug. It is a cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like digitalis. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-exchanging ATPase. [PubChem]Ouabain inhibits the Na-K-ATPase membrane pump, resulting in an increase in intracellular sodium and calcium concentrations. Increased intracellular concentrations of calcium may promote activation of contractile proteins (e.g., actin, myosin). Ouabain also acts on the electrical activity of the heart, increasing the slope of phase 4 depolarization, shortening the action potential duration, and decreasing the maximal diastolic potential.

Structure

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

1092
  Mrv0541 02231215142D          

 43 48  0  0  1  0            999 V2000
    9.3991   -1.1531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2065   -2.4305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2557    0.9094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    0.3612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5145    0.4967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9498   -2.0213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4384    2.8674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2402   -0.7810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8908    3.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5177   -2.8408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0920   -2.0103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0983   -0.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9702   -0.3281    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6847   -0.7406    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3991   -0.3281    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.9702    0.4969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6847    0.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5418    0.0019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2588   -1.0662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 15  1  1  1  0  0  0
 18  2  1  1  0  0  0
 19  3  1  6  0  0  0
 25  4  1  1  0  0  0
  5 28  1  0  0  0  0
 31  6  1  1  0  0  0
 35  6  1  1  0  0  0
  7 33  1  0  0  0  0
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 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 40  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  6  0  0  0
M  END

HMDB0015224
     RDKit          3D
Ouabain
 85 90  0  0  0  0  0  0  0  0999 V2000
   -5.7145    1.4806    2.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5917    1.1001    1.3391 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5537    1.8681    0.7559 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2078    1.3097   -0.4582 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4305    0.1769   -0.3337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1195    0.3517   -0.8367 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2839    0.3663    0.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2308   -1.0447    0.8766 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4761   -1.6207    0.6122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2102   -1.7855    0.0107 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1812   -3.1371    0.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6102   -4.1060    0.1276 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1302   -1.1323    0.0644 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7169   -0.8092    1.3887 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9083   -0.3532    2.3769 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.3065    1.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4050    0.9749   -0.4178 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.5523    2.0401    1.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4061    3.2314    1.7621 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8803    3.5697    2.8768 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5399    3.8323    0.5317 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8468    3.1230   -0.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9068   -0.6336   -2.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4503   -1.4607   -2.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7040   -1.7054   -1.3938 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.5258   -0.6925    2.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9184   -1.9060    1.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5337    1.5143   -0.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
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 36 80  1  6
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 39 83  1  0
 40 84  1  1
 41 85  1  0
M  END

1092
  Mrv0541 02231215142D          

 43 48  0  0  1  0            999 V2000
    9.3991   -1.1531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2065   -2.4305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9498   -2.0213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4384    2.8674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2402   -0.7810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8908    3.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5177   -2.8408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6847   -0.7406    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3991   -0.3281    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3991    0.4969    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2128   -1.6056    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9702    0.4969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6847    0.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1798    0.7483    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6979   -1.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1798   -0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9570   -2.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4548   -0.2809    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6612    0.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4411   -2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2258    0.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3991    1.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6728   -0.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6659   -1.6116    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4361    1.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9523    2.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2212    1.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2370   -1.6060    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2226    2.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5209   -2.0158    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8081   -1.6005    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5273   -0.3658    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8112   -0.7755    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5304    0.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5418    0.0019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2588   -1.0662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 15  1  1  1  0  0  0
 18  2  1  1  0  0  0
 19  3  1  6  0  0  0
 25  4  1  1  0  0  0
  5 28  1  0  0  0  0
 31  6  1  1  0  0  0
 35  6  1  1  0  0  0
  7 33  1  0  0  0  0
  7 36  1  0  0  0  0
  8 35  1  0  0  0  0
  8 39  1  0  0  0  0
  9 36  2  0  0  0  0
 37 10  1  6  0  0  0
 38 11  1  6  0  0  0
 40 12  1  1  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 19  1  0  0  0  0
 13 42  1  6  0  0  0
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 14 22  1  0  0  0  0
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 23 26  1  0  0  0  0
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 32 33  1  0  0  0  0
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 37 38  1  0  0  0  0
 38 40  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0054617

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@]12CC[C@]3(O)C[C@H](C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)C1=CC(=O)OC1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1

> <INCHI_KEY>
LPMXVESGRSUGHW-HBYQJFLCSA-N

> <FORMULA>
C29H44O12

> <MOLECULAR_WEIGHT>
584.6525

> <EXACT_MASS>
584.283276872

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
59.92556829434825

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-[(1S,2R,3R,5S,7S,10R,11S,14R,15R,17R)-3,7,11,17-tetrahydroxy-2-(hydroxymethyl)-15-methyl-5-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-2,5-dihydrofuran-2-one

> <ALOGPS_LOGP>
-1.03

> <JCHEM_LOGP>
-2.7818058896666673

> <ALOGPS_LOGS>
-2.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.210394291601636

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.181446894362235

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8503841755458543

> <JCHEM_POLAR_SURFACE_AREA>
206.59999999999997

> <JCHEM_REFRACTIVITY>
140.83379999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.61e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ouabain

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0015224
     RDKit          3D
Ouabain
 85 90  0  0  0  0  0  0  0  0999 V2000
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   -1.2839    0.3663    0.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5258   -0.6925    2.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9184   -1.9060    1.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5337    1.5143   -0.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4 46  1  6
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  8 50  1  1
  9 51  1  0
 11 52  1  0
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 25 65  1  0
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 34 77  1  0
 35 78  1  0
 35 79  1  0
 36 80  1  6
 37 81  1  0
 38 82  1  6
 39 83  1  0
 40 84  1  1
 41 85  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 1092                                              
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0      17.545  -2.152   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      13.452  -4.537   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      13.544   1.698   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      11.082   0.674   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      12.160   0.927   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       9.240  -3.773   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      19.485   5.352   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       7.915  -1.458   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      22.196   5.777   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       6.566  -5.303   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       3.905  -3.753   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       3.917  -0.673   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      14.878  -0.612   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      16.211  -1.382   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      17.545  -0.612   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      17.545   0.928   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      13.476  -1.393   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      13.464  -2.997   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      14.878   0.928   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      16.211   1.698   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      19.002   1.397   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      16.236  -2.986   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      19.002  -1.082   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      14.853  -3.799   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      12.049  -0.524   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      19.901   0.158   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.023  -3.844   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      13.488   0.147   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      17.545   2.468   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      10.589  -1.337   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.576  -3.008   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      19.481   2.860   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      18.578   4.108   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      20.946   3.334   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       7.909  -2.998   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      20.949   4.874   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       6.572  -3.763   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       5.242  -2.988   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       6.584  -0.683   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       5.248  -1.448   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       6.590   0.857   0.000  0.00  0.00           C+0
HETATM   42  H   UNK     0      15.945   0.004   0.000  0.00  0.00           H+0
HETATM   43  H   UNK     0      17.283  -1.990   0.000  0.00  0.00           H+0
CONECT    1   15                                                            
CONECT    2   18                                                            
CONECT    3   19                                                            
CONECT    4   25                                                            
CONECT    5   28                                                            
CONECT    6   31   35                                                       
CONECT    7   33   36                                                       
CONECT    8   35   39                                                       
CONECT    9   36                                                            
CONECT   10   37                                                            
CONECT   11   38                                                            
CONECT   12   40                                                            
CONECT   13   14   17   19   42                                             
CONECT   14   13   15   22   43                                             
CONECT   15    1   14   16   23                                             
CONECT   16   15   20   21   29                                             
CONECT   17   13   18   25   28                                             
CONECT   18    2   17   24   27                                             
CONECT   19    3   13   20                                                  
CONECT   20   16   19                                                       
CONECT   21   16   26   32                                                  
CONECT   22   14   24                                                       
CONECT   23   15   26                                                       
CONECT   24   18   22                                                       
CONECT   25    4   17   30                                                  
CONECT   26   21   23                                                       
CONECT   27   18   31                                                       
CONECT   28    5   17                                                       
CONECT   29   16                                                            
CONECT   30   25   31                                                       
CONECT   31    6   27   30                                                  
CONECT   32   21   33   34                                                  
CONECT   33    7   32                                                       
CONECT   34   32   36                                                       
CONECT   35    6    8   37                                                  
CONECT   36    7    9   34                                                  
CONECT   37   10   35   38                                                  
CONECT   38   11   37   40                                                  
CONECT   39    8   40   41                                                  
CONECT   40   12   38   39                                                  
CONECT   41   39                                                            
CONECT   42   13                                                            
CONECT   43   14                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   96    0
END

COMPND    HMDB0015224
HETATM    1  C1  UNL     1      -5.714   1.481   2.795  1.00  0.00           C  
HETATM    2  C2  UNL     1      -5.592   1.100   1.339  1.00  0.00           C  
HETATM    3  O1  UNL     1      -4.554   1.868   0.756  1.00  0.00           O  
HETATM    4  C3  UNL     1      -4.208   1.310  -0.458  1.00  0.00           C  
HETATM    5  O2  UNL     1      -3.430   0.177  -0.334  1.00  0.00           O  
HETATM    6  C4  UNL     1      -2.119   0.352  -0.837  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.284   0.366   0.459  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.231  -1.045   0.877  1.00  0.00           C  
HETATM    9  O3  UNL     1      -2.476  -1.621   0.612  1.00  0.00           O  
HETATM   10  C7  UNL     1      -0.210  -1.786   0.011  1.00  0.00           C  
HETATM   11  C8  UNL     1      -0.181  -3.137   0.645  1.00  0.00           C  
HETATM   12  O4  UNL     1       0.610  -4.106   0.128  1.00  0.00           O  
HETATM   13  C9  UNL     1       1.130  -1.132   0.064  1.00  0.00           C  
HETATM   14  C10 UNL     1       1.717  -0.809   1.389  1.00  0.00           C  
HETATM   15  O5  UNL     1       0.908  -0.353   2.377  1.00  0.00           O  
HETATM   16  C11 UNL     1       2.711   0.306   1.141  1.00  0.00           C  
HETATM   17  C12 UNL     1       3.840  -0.219   0.338  1.00  0.00           C  
HETATM   18  C13 UNL     1       4.859  -0.790   1.310  1.00  0.00           C  
HETATM   19  C14 UNL     1       4.405   0.975  -0.418  1.00  0.00           C  
HETATM   20  C15 UNL     1       5.205   1.935   0.284  1.00  0.00           C  
HETATM   21  C16 UNL     1       5.552   2.040   1.535  1.00  0.00           C  
HETATM   22  C17 UNL     1       6.406   3.231   1.762  1.00  0.00           C  
HETATM   23  O6  UNL     1       6.880   3.570   2.877  1.00  0.00           O  
HETATM   24  O7  UNL     1       6.540   3.832   0.532  1.00  0.00           O  
HETATM   25  C18 UNL     1       5.847   3.123  -0.424  1.00  0.00           C  
HETATM   26  C19 UNL     1       5.088   0.274  -1.591  1.00  0.00           C  
HETATM   27  C20 UNL     1       3.907  -0.634  -2.034  1.00  0.00           C  
HETATM   28  C21 UNL     1       3.532  -1.250  -0.683  1.00  0.00           C  
HETATM   29  O8  UNL     1       4.529  -2.260  -0.559  1.00  0.00           O  
HETATM   30  C22 UNL     1       2.205  -1.921  -0.665  1.00  0.00           C  
HETATM   31  C23 UNL     1       1.689  -2.208  -2.047  1.00  0.00           C  
HETATM   32  C24 UNL     1       0.450  -1.461  -2.382  1.00  0.00           C  
HETATM   33  C25 UNL     1      -0.704  -1.705  -1.394  1.00  0.00           C  
HETATM   34  O9  UNL     1      -1.168  -2.993  -1.757  1.00  0.00           O  
HETATM   35  C26 UNL     1      -1.760  -0.744  -1.756  1.00  0.00           C  
HETATM   36  C27 UNL     1      -5.387   1.168  -1.339  1.00  0.00           C  
HETATM   37  O10 UNL     1      -5.149   1.726  -2.618  1.00  0.00           O  
HETATM   38  C28 UNL     1      -6.543   1.962  -0.769  1.00  0.00           C  
HETATM   39  O11 UNL     1      -6.281   3.313  -0.685  1.00  0.00           O  
HETATM   40  C29 UNL     1      -6.904   1.432   0.629  1.00  0.00           C  
HETATM   41  O12 UNL     1      -7.571   0.226   0.443  1.00  0.00           O  
HETATM   42  H1  UNL     1      -6.217   0.649   3.340  1.00  0.00           H  
HETATM   43  H2  UNL     1      -6.290   2.422   2.915  1.00  0.00           H  
HETATM   44  H3  UNL     1      -4.697   1.671   3.239  1.00  0.00           H  
HETATM   45  H4  UNL     1      -5.346   0.031   1.205  1.00  0.00           H  
HETATM   46  H5  UNL     1      -3.531   2.078  -0.948  1.00  0.00           H  
HETATM   47  H6  UNL     1      -2.010   1.388  -1.237  1.00  0.00           H  
HETATM   48  H7  UNL     1      -0.372   0.892   0.221  1.00  0.00           H  
HETATM   49  H8  UNL     1      -1.876   0.969   1.220  1.00  0.00           H  
HETATM   50  H9  UNL     1      -1.113  -1.252   1.959  1.00  0.00           H  
HETATM   51  H10 UNL     1      -2.509  -2.343  -0.007  1.00  0.00           H  
HETATM   52  H11 UNL     1      -1.206  -3.617   0.734  1.00  0.00           H  
HETATM   53  H12 UNL     1       0.038  -2.982   1.758  1.00  0.00           H  
HETATM   54  H13 UNL     1       1.040  -4.606   0.872  1.00  0.00           H  
HETATM   55  H14 UNL     1       1.123  -0.156  -0.535  1.00  0.00           H  
HETATM   56  H15 UNL     1       2.354  -1.675   1.745  1.00  0.00           H  
HETATM   57  H16 UNL     1       0.840   0.627   2.477  1.00  0.00           H  
HETATM   58  H17 UNL     1       3.052   0.730   2.105  1.00  0.00           H  
HETATM   59  H18 UNL     1       2.164   1.111   0.564  1.00  0.00           H  
HETATM   60  H19 UNL     1       5.869  -0.432   1.146  1.00  0.00           H  
HETATM   61  H20 UNL     1       4.526  -0.693   2.382  1.00  0.00           H  
HETATM   62  H21 UNL     1       4.918  -1.906   1.186  1.00  0.00           H  
HETATM   63  H22 UNL     1       3.534   1.514  -0.925  1.00  0.00           H  
HETATM   64  H23 UNL     1       5.307   1.425   2.386  1.00  0.00           H  
HETATM   65  H24 UNL     1       6.482   2.732  -1.252  1.00  0.00           H  
HETATM   66  H25 UNL     1       5.006   3.738  -0.804  1.00  0.00           H  
HETATM   67  H26 UNL     1       5.892  -0.340  -1.185  1.00  0.00           H  
HETATM   68  H27 UNL     1       5.407   0.946  -2.382  1.00  0.00           H  
HETATM   69  H28 UNL     1       4.386  -1.362  -2.717  1.00  0.00           H  
HETATM   70  H29 UNL     1       3.123  -0.016  -2.460  1.00  0.00           H  
HETATM   71  H30 UNL     1       4.127  -3.161  -0.675  1.00  0.00           H  
HETATM   72  H31 UNL     1       2.365  -2.886  -0.150  1.00  0.00           H  
HETATM   73  H32 UNL     1       1.545  -3.288  -2.270  1.00  0.00           H  
HETATM   74  H33 UNL     1       2.438  -1.887  -2.836  1.00  0.00           H  
HETATM   75  H34 UNL     1       0.610  -0.366  -2.517  1.00  0.00           H  
HETATM   76  H35 UNL     1       0.079  -1.817  -3.365  1.00  0.00           H  
HETATM   77  H36 UNL     1      -1.761  -2.958  -2.546  1.00  0.00           H  
HETATM   78  H37 UNL     1      -2.726  -1.247  -2.077  1.00  0.00           H  
HETATM   79  H38 UNL     1      -1.511  -0.215  -2.736  1.00  0.00           H  
HETATM   80  H39 UNL     1      -5.760   0.125  -1.438  1.00  0.00           H  
HETATM   81  H40 UNL     1      -4.399   2.347  -2.589  1.00  0.00           H  
HETATM   82  H41 UNL     1      -7.472   1.838  -1.376  1.00  0.00           H  
HETATM   83  H42 UNL     1      -6.861   3.878  -1.221  1.00  0.00           H  
HETATM   84  H43 UNL     1      -7.550   2.104   1.183  1.00  0.00           H  
HETATM   85  H44 UNL     1      -8.560   0.396   0.510  1.00  0.00           H  
CONECT    1    2   42   43   44
CONECT    2    3   40   45
CONECT    3    4
CONECT    4    5   36   46
CONECT    5    6
CONECT    6    7   35   47
CONECT    7    8   48   49
CONECT    8    9   10   50
CONECT    9   51
CONECT   10   11   13   33
CONECT   11   12   52   53
CONECT   12   54
CONECT   13   14   30   55
CONECT   14   15   16   56
CONECT   15   57
CONECT   16   17   58   59
CONECT   17   18   19   28
CONECT   18   60   61   62
CONECT   19   20   26   63
CONECT   20   21   21   25
CONECT   21   22   64
CONECT   22   23   23   24
CONECT   24   25
CONECT   25   65   66
CONECT   26   27   67   68
CONECT   27   28   69   70
CONECT   28   29   30
CONECT   29   71
CONECT   30   31   72
CONECT   31   32   73   74
CONECT   32   33   75   76
CONECT   33   34   35
CONECT   34   77
CONECT   35   78   79
CONECT   36   37   38   80
CONECT   37   81
CONECT   38   39   40   82
CONECT   39   83
CONECT   40   41   84
CONECT   41   85
END

HMDB0015224
     RDKit          3D
Ouabain
 85 90  0  0  0  0  0  0  0  0999 V2000
   -5.7145    1.4806    2.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5917    1.1001    1.3391 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5537    1.8681    0.7559 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2078    1.3097   -0.4582 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4305    0.1769   -0.3337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1195    0.3517   -0.8367 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2839    0.3663    0.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2308   -1.0447    0.8766 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4761   -1.6207    0.6122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2102   -1.7855    0.0107 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1812   -3.1371    0.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6102   -4.1060    0.1276 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1302   -1.1323    0.0644 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7169   -0.8092    1.3887 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9083   -0.3532    2.3769 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.3065    1.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8399   -0.2187    0.3376 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8589   -0.7901    1.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4050    0.9749   -0.4178 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2054    1.9355    0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5523    2.0401    1.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4061    3.2314    1.7621 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8803    3.5697    2.8768 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5399    3.8323    0.5317 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8468    3.1230   -0.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0876    0.2737   -1.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9068   -0.6336   -2.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5317   -1.2500   -0.6833 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5287   -2.2605   -0.5592 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2052   -1.9208   -0.6649 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6893   -2.2081   -2.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4503   -1.4607   -2.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7040   -1.7054   -1.3938 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1678   -2.9929   -1.7574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7600   -0.7439   -1.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3873    1.1677   -1.3385 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1494    1.7259   -2.6176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5431    1.9618   -0.7690 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.2808    3.3130   -0.6846 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9038    1.4319    0.6286 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.5712    0.2264    0.4433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2175    0.6494    3.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2896    2.4216    2.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6972    1.6710    3.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3459    0.0311    1.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5314    2.0780   -0.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0096    1.3877   -1.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3720    0.8923    0.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8765    0.9689    1.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1134   -1.2518    1.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5088   -2.3426   -0.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2057   -3.6170    0.7342 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0378   -2.9816    1.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0402   -4.6057    0.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1228   -0.1561   -0.5350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3540   -1.6745    1.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8402    0.6272    2.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0516    0.7296    2.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1643    1.1111    0.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8685   -0.4322    1.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5258   -0.6925    2.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9184   -1.9060    1.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5337    1.5143   -0.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3069    1.4249    2.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4823    2.7320   -1.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0056    3.7378   -0.8044 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8922   -0.3400   -1.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4068    0.9455   -2.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3857   -1.3620   -2.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1227   -0.0160   -2.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1266   -3.1606   -0.6755 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3654   -2.8864   -0.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5453   -3.2883   -2.2698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4383   -1.8870   -2.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6096   -0.3662   -2.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -1.8170   -3.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7607   -2.9580   -2.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7260   -1.2468   -2.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5106   -0.2154   -2.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7599    0.1251   -1.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3988    2.3465   -2.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4724    1.8376   -1.3762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8609    3.8779   -1.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5504    2.1043    1.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5596    0.3961    0.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  1
 11 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 19 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  1
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  6
 33 35  1  0
  4 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40  2  1  0
 35  6  1  0
 33 10  1  0
 30 13  1  0
 28 17  1  0
 25 20  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  2 45  1  1
  4 46  1  6
  6 47  1  6
  7 48  1  0
  7 49  1  0
  8 50  1  1
  9 51  1  0
 11 52  1  0
 11 53  1  0
 12 54  1  0
 13 55  1  6
 14 56  1  1
 15 57  1  0
 16 58  1  0
 16 59  1  0
 18 60  1  0
 18 61  1  0
 18 62  1  0
 19 63  1  6
 21 64  1  0
 25 65  1  0
 25 66  1  0
 26 67  1  0
 26 68  1  0
 27 69  1  0
 27 70  1  0
 29 71  1  0
 30 72  1  1
 31 73  1  0
 31 74  1  0
 32 75  1  0
 32 76  1  0
 34 77  1  0
 35 78  1  0
 35 79  1  0
 36 80  1  6
 37 81  1  0
 38 82  1  6
 39 83  1  0
 40 84  1  1
 41 85  1  0
M  END

Synonyms

Value	Source
3-(alpha-L-Rhamnopyranosyloxy)-1beta,5beta,11alpha,14,19-pentahydroxy-5beta-card-20(22)-enolide	ChEBI
g-Strophanthin	ChEBI
Ouabagenin L-rhamnoside	ChEBI
Ouabagenin-L-rhamnosid	ChEBI
Ouabain anhydrous	ChEBI
Ouabaine	ChEBI
Oubain	ChEBI
Strodival	ChEBI
Ouabain octahydrate	Kegg
3-(a-L-Rhamnopyranosyloxy)-1b,5b,11a,14,19-pentahydroxy-5b-card-20(22)-enolide	Generator
3-(Α-L-rhamnopyranosyloxy)-1β,5β,11α,14,19-pentahydroxy-5β-card-20(22)-enolide	Generator
Ouabain octahydric acid	Generator
Ouabain, octahydrate	HMDB
Strophanthin g	HMDB
Strophanthin-g	HMDB
K, Acolongifloroside	HMDB
Acocantherin	HMDB
Acolongifloroside K	HMDB
g Strophanthin	HMDB

Molecular Formula

C₂₉H₄₄O₁₂

Average Mass

584.6525

Monoisotopic Mass

584.283276872

IUPAC Name

4-[(1S,2R,3R,5S,7S,10R,11S,14R,15R,17R)-3,7,11,17-tetrahydroxy-2-(hydroxymethyl)-15-methyl-5-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-2,5-dihydrofuran-2-one

Traditional Name

ouabain

CAS Registry Number

Not Available

SMILES

[H][C@@]12CC[C@]3(O)C[C@H](C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)C1=CC(=O)OC1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

InChI Identifier

InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1

InChI Key

LPMXVESGRSUGHW-HBYQJFLCSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Naphthalenes

Sub Class

Not Available

Direct Parent

Naphthalenes

Alternative Parents

Substituents

Naphthalene
Phenylpropane
Phenylmethylamine
Benzylamine
Aralkylamine
Monocyclic benzene moiety
Tertiary aliphatic amine
Tertiary amine
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Organonitrogen compound
Amine
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

tertiary amine (CHEBI:3238 )
naphthalenes (CHEBI:3238 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	4.61 g/L	ALOGPS
logP	-1	ALOGPS
logP	-2.8	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	7.18	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	206.6 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	140.83 m³·mol⁻¹	ChemAxon
Polarizability	59.93 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

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-004u-2506409000-f6e6b4b9ec8f6ae25647	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS ("Ouabain,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-10-15	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , positive	splash10-000i-0001390000-515c0bf892e88276ad0e	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , positive	splash10-0fe0-0009610000-dc8e1eef3a28a5855b6f	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , positive	splash10-05n0-0109100000-18145b0f69be1294b917	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , positive	splash10-0ap0-0319000000-844262be839a6875a5c3	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , positive	splash10-0a4i-0937000000-d3967c7a1a1193cb4588	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , positive	splash10-000i-0009510000-d4f2fe6db619b2bc004f	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , positive	splash10-05n0-0109100000-f3754de74f018c89b58b	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 75V, Positive	splash10-002f-3900000000-8897e7140ac63158291a	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Positive	splash10-05n0-0109100000-821248f465b912b2bcc7	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Positive	splash10-0ap0-0319000000-0e7880936c0facd0d79f	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 90V, Positive	splash10-004l-3900000000-89ad74e5219fbfd397f0	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-0fe0-0009610000-8dcd97b10be26bc2f192	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 50V, Positive	splash10-0a4i-0937000000-16b6a57d6c5d7d02fcbb	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 75V, Positive	splash10-002f-3900000000-7a66faf4065ad077157b	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-0fe0-0009610000-dc8e1eef3a28a5855b6f	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-000i-0001390000-515c0bf892e88276ad0e	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Positive	splash10-05n0-0109100000-18145b0f69be1294b917	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Positive	splash10-0ap0-0319000000-844262be839a6875a5c3	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 60V, Positive	splash10-054o-2900000000-642b0d4e1b611573c54f	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00r2-0000490000-ba806aa277f179583eec	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00di-0101930000-7f40284ce7a78f730699	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00di-1112910000-f68efe23826a53a2145e	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-015i-0000590000-b6bd31b640d6b6350b74	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-014r-1101940000-a2d91864bf2df81659a2	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4u-2005900000-252c65c11aeae5b683b8	2016-08-03	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-24	431.3
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	243.9
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-24	334.4
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	424.8
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	343.1
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-24	184.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	2143.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	345.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	365.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	212.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	265.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	178.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	127.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	265.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	415.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	88.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	268.0
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	1223.9
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	783.1

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	ouabain_TMS_1	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2118.56
Gas Chromatography	ouabain_TMS_2	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1404.46
Gas Chromatography	ouabain_TMS_3	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1764.18
Gas Chromatography	ouabain_TMS_4	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2442.56
Gas Chromatography	ouabain_TMS_5	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1933.76
Gas Chromatography	ouabain_TMS_6	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	-230.299
Gas Chromatography	ouabain_TMS_7	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2706.37
Gas Chromatography	ouabain_TMS_8	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1875.81
Gas Chromatography	ouabain_TMS_9	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2866.13
Gas Chromatography	ouabain_TMS_10	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	869.33
Gas Chromatography	ouabain_TMS_11	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1305.29
Gas Chromatography	ouabain_TMS_12	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2597.65
Gas Chromatography	ouabain_TMS_13	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1561.77
Gas Chromatography	ouabain_TMS_14	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2176.02
Gas Chromatography	ouabain_TMS_15	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1632.68
Gas Chromatography	ouabain_TMS_16	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2127.96
Gas Chromatography	ouabain_TMS_17	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1643.35
Gas Chromatography	ouabain_TMS_18	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1673.05
Gas Chromatography	ouabain_TMS_19	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2706.12
Gas Chromatography	ouabain_TMS_20	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1923.86
Gas Chromatography	ouabain_TMS_21	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1943.62
Gas Chromatography	ouabain_TMS_22	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	3003.12
Gas Chromatography	ouabain_TMS_23	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1578.13
Gas Chromatography	ouabain_TMS_24	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1896.66
Gas Chromatography	ouabain_TMS_25	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1189.41
Gas Chromatography	ouabain_TMS_26	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	-50.3547
Gas Chromatography	ouabain_TMS_27	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1209.65
Gas Chromatography	ouabain_TMS_28	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1262.25
Gas Chromatography	ouabain_TMS_29	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2347.87
Gas Chromatography	ouabain_TMS_30	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1987.42
Gas Chromatography	ouabain_TMS_31	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1615.89
Gas Chromatography	ouabain_TMS_32	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2163.57
Gas Chromatography	ouabain_TMS_33	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2118.32
Gas Chromatography	ouabain_TMS_34	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3045.19
Gas Chromatography	ouabain_TMS_35	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1457.21
Gas Chromatography	ouabain_TMS_36	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2414.36
Gas Chromatography	ouabain_TMS_37	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2504.79
Gas Chromatography	ouabain_TMS_38	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1517.28
Gas Chromatography	ouabain_TMS_39	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2149.22
Gas Chromatography	ouabain_TMS_40	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	694.209
Gas Chromatography	ouabain_TMS_41	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1535.12
Gas Chromatography	ouabain_TMS_42	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	977.46
Gas Chromatography	ouabain_TMS_43	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1814.08
Gas Chromatography	ouabain_TMS_44	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	3327.23
Gas Chromatography	ouabain_TMS_45	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	416.37
Gas Chromatography	ouabain_TMS_46	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2289.04
Gas Chromatography	ouabain_TMS_47	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1682.42
Gas Chromatography	ouabain_TMS_48	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2054.87
Gas Chromatography	ouabain_TMS_49	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1596.21
Gas Chromatography	ouabain_TMS_50	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1982.74
Gas Chromatography	ouabain_TMS_51	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1324.12
Gas Chromatography	ouabain_TMS_52	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2864.03
Gas Chromatography	ouabain_TMS_53	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1883.32
Gas Chromatography	ouabain_TMS_54	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1076.38
Gas Chromatography	ouabain_TMS_55	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2061.78
Gas Chromatography	ouabain_TMS_56	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3258.06
Gas Chromatography	ouabain_TMS_57	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1451.01
Gas Chromatography	ouabain_TMS_58	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1547.13
Gas Chromatography	ouabain_TMS_59	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	718.863
Gas Chromatography	ouabain_TMS_60	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2136.74
Gas Chromatography	ouabain_TMS_61	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	3244.97
Gas Chromatography	ouabain_TMS_62	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1488.93
Gas Chromatography	ouabain_TMS_63	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1747.33
Gas Chromatography	ouabain_TMS_64	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2281.47
Gas Chromatography	ouabain_TMS_65	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2317.15
Gas Chromatography	ouabain_TMS_66	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2046.51
Gas Chromatography	ouabain_TMS_67	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	970.294
Gas Chromatography	ouabain_TMS_68	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2579.48
Gas Chromatography	ouabain_TMS_69	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2054.46
Gas Chromatography	ouabain_TMS_70	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1934.33
Gas Chromatography	ouabain_TMS_71	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1409.07
Gas Chromatography	ouabain_TMS_72	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1172.09
Gas Chromatography	ouabain_TMS_73	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1328.24
Gas Chromatography	ouabain_TMS_74	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1542.7
Gas Chromatography	ouabain_TMS_75	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2225.21
Gas Chromatography	ouabain_TMS_76	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	750.759
Gas Chromatography	ouabain_TMS_77	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1974.5
Gas Chromatography	ouabain_TMS_78	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1220.7
Gas Chromatography	ouabain_TMS_79	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1728.79
Gas Chromatography	ouabain_TMS_80	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2752.7
Gas Chromatography	ouabain_TMS_81	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	937.604
Gas Chromatography	ouabain_TMS_82	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1842.16
Gas Chromatography	ouabain_TMS_83	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2850.37
Gas Chromatography	ouabain_TMS_84	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	277.487
Gas Chromatography	ouabain_TMS_85	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1441.56
Gas Chromatography	ouabain_TMS_86	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1508.46
Gas Chromatography	ouabain_TMS_87	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1985.23
Gas Chromatography	ouabain_TMS_88	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1386.79
Gas Chromatography	ouabain_TMS_89	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	618.622
Gas Chromatography	ouabain_TMS_90	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1605.61
Gas Chromatography	ouabain_TMS_91	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1258.58
Gas Chromatography	ouabain_TMS_92	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1099.99
Gas Chromatography	ouabain_TMS_93	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2146.15
Gas Chromatography	ouabain_TMS_94	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	3898.85
Gas Chromatography	ouabain_TMS_95	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1547.86
Gas Chromatography	ouabain_TMS_96	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1141.43
Gas Chromatography	ouabain_TMS_97	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1366.17
Gas Chromatography	ouabain_TMS_98	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1730.0
Gas Chromatography	ouabain_TMS_99	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1411.36
Gas Chromatography	ouabain_TMS_100	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1983.68
Gas Chromatography	ouabain_TMS_101	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3372.05
Gas Chromatography	ouabain_TMS_102	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2196.51
Gas Chromatography	ouabain_TMS_103	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1956.79
Gas Chromatography	ouabain_TMS_104	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1564.46
Gas Chromatography	ouabain_TMS_105	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1101.1
Gas Chromatography	ouabain_TMS_106	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2503.46
Gas Chromatography	ouabain_TMS_107	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2598.72
Gas Chromatography	ouabain_TMS_108	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2406.3
Gas Chromatography	ouabain_TMS_109	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2402.86
Gas Chromatography	ouabain_TMS_110	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1945.32
Gas Chromatography	ouabain_TMS_111	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	707.451
Gas Chromatography	ouabain_TMS_112	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	3268.95
Gas Chromatography	ouabain_TMS_113	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2763.33
Gas Chromatography	ouabain_TMS_114	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	922.825
Gas Chromatography	ouabain_TMS_115	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2530.97
Gas Chromatography	ouabain_TMS_116	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1855.69
Gas Chromatography	ouabain_TMS_117	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2374.06
Gas Chromatography	ouabain_TMS_118	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1085.93
Gas Chromatography	ouabain_TMS_119	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1666.28
Gas Chromatography	ouabain_TMS_120	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3653.91
Gas Chromatography	ouabain_TMS_121	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1152.57
Gas Chromatography	ouabain_TMS_122	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2319.48
Gas Chromatography	ouabain_TMS_123	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2399.0
Gas Chromatography	ouabain_TMS_124	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1201.64
Gas Chromatography	ouabain_TMS_125	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2541.53
Gas Chromatography	ouabain_TMS_126	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2207.85
Gas Chromatography	ouabain_TMS_127	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1297.56
Gas Chromatography	ouabain_TMS_128	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	307.867
Gas Chromatography	ouabain_TMS_129	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2464.41
Gas Chromatography	ouabain_TMS_130	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1390.17
Gas Chromatography	ouabain_TMS_131	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1329.25
Gas Chromatography	ouabain_TMS_132	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1114.29
Gas Chromatography	ouabain_TMS_133	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1782.8
Gas Chromatography	ouabain_TMS_134	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3268.19
Gas Chromatography	ouabain_TMS_135	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1879.99
Gas Chromatography	ouabain_TMS_136	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2779.86
Gas Chromatography	ouabain_TMS_137	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1903.33
Gas Chromatography	ouabain_TMS_138	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2262.6
Gas Chromatography	ouabain_TMS_139	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2641.84
Gas Chromatography	ouabain_TMS_140	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1130.75
Gas Chromatography	ouabain_TMS_141	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	826.765
Gas Chromatography	ouabain_TMS_142	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1951.37
Gas Chromatography	ouabain_TMS_143	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	976.608
Gas Chromatography	ouabain_TMS_144	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2946.15
Gas Chromatography	ouabain_TMS_145	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1788.66
Gas Chromatography	ouabain_TMS_146	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3509.56
Gas Chromatography	ouabain_TMS_147	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3386.43
Gas Chromatography	ouabain_TMS_148	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1021.91
Gas Chromatography	ouabain_TMS_149	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2986.14
Gas Chromatography	ouabain_TMS_150	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1308.74
Gas Chromatography	ouabain_TMS_151	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	861.045
Gas Chromatography	ouabain_TMS_152	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1294.08
Gas Chromatography	ouabain_TMS_153	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2538.61
Gas Chromatography	ouabain_TMS_154	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2549.59
Gas Chromatography	ouabain_TMS_155	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1666.23
Gas Chromatography	ouabain_TMS_156	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3163.71
Gas Chromatography	ouabain_TMS_157	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2220.2
Gas Chromatography	ouabain_TMS_158	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1324.14
Gas Chromatography	ouabain_TMS_159	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1112.13
Gas Chromatography	ouabain_TMS_160	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1063.86
Gas Chromatography	ouabain_TMS_161	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	615.171
Gas Chromatography	ouabain_TMS_162	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1503.17
Gas Chromatography	ouabain_TMS_1	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1946.59
Gas Chromatography	ouabain_TMS_2	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2100.89
Gas Chromatography	ouabain_TMS_3	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2263.6
Gas Chromatography	ouabain_TMS_4	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2635.54
Gas Chromatography	ouabain_TMS_5	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1976.48
Gas Chromatography	ouabain_TMS_6	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1827.88
Gas Chromatography	ouabain_TMS_7	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2480.83
Gas Chromatography	ouabain_TMS_8	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	1408.12
Gas Chromatography	ouabain_TMS_9	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2647.65
Gas Chromatography	ouabain_TMS_10	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2798.23
Gas Chromatography	ouabain_TMS_11	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1999.46
Gas Chromatography	ouabain_TMS_12	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2848.82
Gas Chromatography	ouabain_TMS_13	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	1800.81
Gas Chromatography	ouabain_TMS_14	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	3011.49
Gas Chromatography	ouabain_TMS_15	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2648.5
Gas Chromatography	ouabain_TMS_16	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2148.28
Gas Chromatography	ouabain_TMS_17	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1974.08
Gas Chromatography	ouabain_TMS_18	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1038.68
Gas Chromatography	ouabain_TMS_19	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2941.64
Gas Chromatography	ouabain_TMS_20	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2358.16
Gas Chromatography	ouabain_TMS_21	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2883.04
Gas Chromatography	ouabain_TMS_22	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2076.98
Gas Chromatography	ouabain_TMS_23	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1223.85
Gas Chromatography	ouabain_TMS_24	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2024.4
Gas Chromatography	ouabain_TMS_25	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2601.48
Gas Chromatography	ouabain_TMS_26	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1654.98
Gas Chromatography	ouabain_TMS_27	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	3169.03
Gas Chromatography	ouabain_TMS_28	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2032.19
Gas Chromatography	ouabain_TMS_29	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2623.83
Gas Chromatography	ouabain_TMS_30	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2207.39
Gas Chromatography	ouabain_TMS_31	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	1043.67
Gas Chromatography	ouabain_TMS_32	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2054.01
Gas Chromatography	ouabain_TMS_33	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1034.3
Gas Chromatography	ouabain_TMS_34	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2384.32
Gas Chromatography	ouabain_TMS_35	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2388.96
Gas Chromatography	ouabain_TMS_36	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1520.92
Gas Chromatography	ouabain_TMS_37	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2210.86
Gas Chromatography	ouabain_TMS_38	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2987.23
Gas Chromatography	ouabain_TMS_39	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1722.3
Gas Chromatography	ouabain_TMS_40	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	1458.72
Gas Chromatography	ouabain_TMS_41	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2191.8
Gas Chromatography	ouabain_TMS_42	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1840.96
Gas Chromatography	ouabain_TMS_43	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2744.5
Gas Chromatography	ouabain_TMS_44	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1570.16
Gas Chromatography	ouabain_TMS_45	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2006.09
Gas Chromatography	ouabain_TMS_46	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	3074.2
Gas Chromatography	ouabain_TMS_47	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1869.57
Gas Chromatography	ouabain_TMS_48	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2088.4
Gas Chromatography	ouabain_TMS_49	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2667.87
Gas Chromatography	ouabain_TMS_50	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2283.46
Gas Chromatography	ouabain_TMS_51	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2989.58
Gas Chromatography	ouabain_TMS_52	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2945.5
Gas Chromatography	ouabain_TMS_53	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2630.17
Gas Chromatography	ouabain_TMS_54	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1418.61
Gas Chromatography	ouabain_TMS_55	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1612.12
Gas Chromatography	ouabain_TMS_56	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2526.79
Gas Chromatography	ouabain_TMS_57	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	3044.67
Gas Chromatography	ouabain_TMS_58	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	3509.44
Gas Chromatography	ouabain_TMS_59	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1836.55
Gas Chromatography	ouabain_TMS_60	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	966.875
Gas Chromatography	ouabain_TMS_61	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	786.646
Gas Chromatography	ouabain_TMS_62	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2442.01
Gas Chromatography	ouabain_TMS_63	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1572.55
Gas Chromatography	ouabain_TMS_64	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	754.044
Gas Chromatography	ouabain_TMS_65	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2050.17
Gas Chromatography	ouabain_TMS_66	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2358.94
Gas Chromatography	ouabain_TMS_67	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2551.79
Gas Chromatography	ouabain_TMS_68	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1828.96
Gas Chromatography	ouabain_TMS_69	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	3070.5
Gas Chromatography	ouabain_TMS_70	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	3431.33
Gas Chromatography	ouabain_TMS_71	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1491.59
Gas Chromatography	ouabain_TMS_72	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1537.3
Gas Chromatography	ouabain_TMS_73	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1940.8
Gas Chromatography	ouabain_TMS_74	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	1523.4
Gas Chromatography	ouabain_TMS_75	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	971.89
Gas Chromatography	ouabain_TMS_76	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2672.32
Gas Chromatography	ouabain_TMS_77	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2330.14
Gas Chromatography	ouabain_TMS_78	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	653.775
Gas Chromatography	ouabain_TMS_79	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	850.787
Gas Chromatography	ouabain_TMS_80	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1802.59
Gas Chromatography	ouabain_TMS_81	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	942.818
Gas Chromatography	ouabain_TMS_82	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1352.12
Gas Chromatography	ouabain_TMS_83	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2115.87
Gas Chromatography	ouabain_TMS_84	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2614.67
Gas Chromatography	ouabain_TMS_85	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1722.67
Gas Chromatography	ouabain_TMS_86	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2138.36
Gas Chromatography	ouabain_TMS_87	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	864.943
Gas Chromatography	ouabain_TMS_88	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	3076.14
Gas Chromatography	ouabain_TMS_89	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1568.77
Gas Chromatography	ouabain_TMS_90	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2781.84
Gas Chromatography	ouabain_TMS_91	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1837.62
Gas Chromatography	ouabain_TMS_92	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1433.53
Gas Chromatography	ouabain_TMS_93	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1054.37
Gas Chromatography	ouabain_TMS_94	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2704.59
Gas Chromatography	ouabain_TMS_95	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	3361.19
Gas Chromatography	ouabain_TMS_96	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2951.71
Gas Chromatography	ouabain_TMS_97	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2669.35
Gas Chromatography	ouabain_TMS_98	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2486.45
Gas Chromatography	ouabain_TMS_99	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	1954.31
Gas Chromatography	ouabain_TMS_100	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2081.81
Gas Chromatography	ouabain_TMS_101	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2658.19
Gas Chromatography	ouabain_TMS_102	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	1974.49
Gas Chromatography	ouabain_TMS_103	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2173.15
Gas Chromatography	ouabain_TMS_104	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1829.2
Gas Chromatography	ouabain_TMS_105	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1085.79
Gas Chromatography	ouabain_TMS_106	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	981.361
Gas Chromatography	ouabain_TMS_107	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2990.18
Gas Chromatography	ouabain_TMS_108	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1703.4
Gas Chromatography	ouabain_TMS_109	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	1171.0
Gas Chromatography	ouabain_TMS_110	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2841.14
Gas Chromatography	ouabain_TMS_111	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2588.09
Gas Chromatography	ouabain_TMS_112	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	1488.43
Gas Chromatography	ouabain_TMS_113	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1909.69
Gas Chromatography	ouabain_TMS_114	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2227.05
Gas Chromatography	ouabain_TMS_115	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2320.46
Gas Chromatography	ouabain_TMS_116	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1260.47
Gas Chromatography	ouabain_TMS_117	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2616.13
Gas Chromatography	ouabain_TMS_118	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2549.17
Gas Chromatography	ouabain_TMS_119	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1837.06
Gas Chromatography	ouabain_TMS_120	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1737.6
Gas Chromatography	ouabain_TMS_121	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1685.55
Gas Chromatography	ouabain_TMS_122	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	3435.87
Gas Chromatography	ouabain_TMS_123	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	3104.15
Gas Chromatography	ouabain_TMS_124	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	3270.03
Gas Chromatography	ouabain_TMS_125	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	4069.33
Gas Chromatography	ouabain_TMS_126	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1889.74
Gas Chromatography	ouabain_TMS_127	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	3178.43
Gas Chromatography	ouabain_TMS_128	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1751.41
Gas Chromatography	ouabain_TMS_129	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	1149.66
Gas Chromatography	ouabain_TMS_130	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2114.09
Gas Chromatography	ouabain_TMS_131	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	3343.62
Gas Chromatography	ouabain_TMS_132	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	1939.23
Gas Chromatography	ouabain_TMS_133	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	4414.7
Gas Chromatography	ouabain_TMS_134	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2031.84
Gas Chromatography	ouabain_TMS_135	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1577.75
Gas Chromatography	ouabain_TMS_136	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2393.4
Gas Chromatography	ouabain_TMS_137	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	939.144
Gas Chromatography	ouabain_TMS_138	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2457.04
Gas Chromatography	ouabain_TMS_139	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2651.96
Gas Chromatography	ouabain_TMS_140	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2926.59
Gas Chromatography	ouabain_TMS_141	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2302.54
Gas Chromatography	ouabain_TMS_142	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2999.64
Gas Chromatography	ouabain_TMS_143	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	3568.07
Gas Chromatography	ouabain_TMS_144	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2678.84
Gas Chromatography	ouabain_TMS_145	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	3098.32
Gas Chromatography	ouabain_TMS_146	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2251.06
Gas Chromatography	ouabain_TMS_147	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2904.2
Gas Chromatography	ouabain_TMS_148	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	3507.84
Gas Chromatography	ouabain_TMS_149	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1901.68
Gas Chromatography	ouabain_TMS_150	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1199.8
Gas Chromatography	ouabain_TMS_151	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2296.28
Gas Chromatography	ouabain_TMS_152	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2789.76
Gas Chromatography	ouabain_TMS_153	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1210.04
Gas Chromatography	ouabain_TMS_154	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2977.95
Gas Chromatography	ouabain_TMS_155	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	-594.114
Gas Chromatography	ouabain_TMS_156	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	3599.16
Gas Chromatography	ouabain_TMS_157	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO[Si](C)(C)C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1678.7
Gas Chromatography	ouabain_TMS_158	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2441.9
Gas Chromatography	ouabain_TMS_159	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2233.68
Gas Chromatography	ouabain_TMS_160	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1480.54
Gas Chromatography	ouabain_TMS_161	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O[Si](C)(C)C)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1885.75
Gas Chromatography	ouabain_TMS_162	C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O[Si](C)(C)C)[C@@H]4CC[C@]3(O)C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2558.79

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192108	Solute carrier organic anion transporter family member 1B3	Transporter	Q9NPD5	Homo sapiens
MMDBp0192113	Solute carrier organic anion transporter family member 1C1	Transporter	Q9NYB5	Homo sapiens
MMDBp0192115	Solute carrier organic anion transporter family member 1B1	Transporter	Q9Y6L6	Homo sapiens
MMDBp0192962	Sodium/potassium-transporting ATPase subunit alpha-1	Unknown	P05023	Homo sapiens
MMDBp0193110	Cytochrome P450 1A1	Unknown	P04798	Homo sapiens
MMDBp0193639	Solute carrier organic anion transporter family member 1A2	Transporter	P46721	Homo sapiens
MMDBp0194944	Solute carrier organic anion transporter family member 4C1	Transporter	Q6ZQN7	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria/Eubacteria	Actinobacteria	1	Human ; Human feces

Exposure Sources

Other Exposures

Source Type	Data Source	Reference
Drugs - Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

HMDB0015224

DrugBank ID

DB01092

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

C00003633

Chemspider ID

388599

KEGG Compound ID

C01443

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Ouabain

METLIN ID

Not Available

PubChem Compound

439501

PDB ID

OBN

ChEBI ID

472805

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Hamlyn JM, Blaustein MP, Bova S, DuCharme DW, Harris DW, Mandel F, Mathews WR, Ludens JH: Identification and characterization of a ouabain-like compound from human plasma. Proc Natl Acad Sci U S A. 1991 Jul 15;88(14):6259-63. doi: 10.1073/pnas.88.14.6259. [PubMed:1648735 ]
Laredo J, Hamilton BP, Hamlyn JM: Ouabain is secreted by bovine adrenocortical cells. Endocrinology. 1994 Aug;135(2):794-7. doi: 10.1210/endo.135.2.8033829. [PubMed:8033829 ]
Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. doi: 10.1038/35036052. [PubMed:11413487 ]
Gao J, Wymore RS, Wang Y, Gaudette GR, Krukenkamp IB, Cohen IS, Mathias RT: Isoform-specific stimulation of cardiac Na/K pumps by nanomolar concentrations of glycosides. J Gen Physiol. 2002 Apr;119(4):297-312. doi: 10.1085/jgp.20028501. [PubMed:11929882 ]
Hamlyn JM, Laredo J, Shah JR, Lu ZR, Hamilton BP: 11-hydroxylation in the biosynthesis of endogenous ouabain: multiple implications. Ann N Y Acad Sci. 2003 Apr;986:685-93. doi: 10.1111/j.1749-6632.2003.tb07283.x. [PubMed:12763919 ]
TRUNZLER G, SCHULER E: [Comparative studies on the effect of a Crataegus extract, of digitoxin, digoxin and gstrophanthin on the isolated mammalian heart]. Arzneimittelforschung. 1962 Feb;12:198-202. [PubMed:13922712 ]
Saunders R, Scheiner-Bobis G: Ouabain stimulates endothelin release and expression in human endothelial cells without inhibiting the sodium pump. Eur J Biochem. 2004 Mar;271(5):1054-62. doi: 10.1111/j.1432-1033.2004.04012.x. [PubMed:15009217 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. doi: 10.1194/jlr.R600022-JLR200. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. doi: 10.1194/jlr.R700005-JLR200. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for ouabain (MMDBc0054617)

MOL for #<Metabolite:0x00007f9acaf54760>

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3D PDB for #<Metabolite:0x00007f9acaf54760>

SMILES for #<Metabolite:0x00007f9acaf54760>

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Structure for #<Metabolite:0x00007f9acaf54760>

3D Structure for #<Metabolite:0x00007f9acaf54760>