MiMeDB: Showing metabocard for dihydroouabain (MMDBc0055928)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-06-17 20:11:01 UTC

Update Date

2025-10-07 16:04:20 UTC

Metabolite ID

MMDBc0055928

Metabolite Identification

Common Name

dihydroouabain

Description

Dihydroouabain is a cardenolide, a class of organic compounds known for their steroid-like structure and biological activity. It features a saturated lactone ring and acts primarily as an inhibitor of the Na+/K+-ATPase enzyme, which is crucial for maintaining cellular ion gradients. This inhibition leads to various physiological effects, including modulation of synaptic transmission, as demonstrated in chick brainstem slices (PMID:22100365 ). Dihydroouabain has been identified as a novel radiosensitizer for cervical cancer through high-throughput screening (PMID:32311597 ), marking it as a potential therapeutic agent. Additionally, it activates human RORγ/RORγT receptors, influencing immune responses by upregulating IL17A and IL17F in Th17 lymphocytes (PMID:29981919 ). It is also a substrate of the OATP1B3 transporter, which may affect its pharmacokinetics (PMID:24754247 ). Furthermore, dihydroouabain has been shown to potentiate NMDA currents in rat hippocampal neurons, implicating it in excitatory neurotransmission pathways (PMID:21521363 ). Overall, dihydroouabain's unique chemical structure and diverse biological interactions make it a significant compound in both pharmacology and biochemistry.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652306172222112D          

 53 58  0  0  1  0            999 V2000
    5.8429   -0.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073    0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8399    2.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5867    1.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520    2.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0962    2.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6883    0.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2475    0.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9960    2.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9990    0.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6344   -0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6232    0.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1232   -0.2240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8637    0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5278    1.6682    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3574    0.9689    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5596    1.8632    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8111    0.4566    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4354    0.7470    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9686   -0.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0914    1.2325    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9354   -0.0788    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2157    0.6972    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6838    1.3279    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8717    1.1827    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4672    0.9421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1838    2.1537    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9035    1.3777    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7475    1.7180    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1551   -0.0289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3429   -0.1741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6647   -0.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7611   -0.6609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4672   -0.7095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0278    0.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    2.1038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    2.9296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451    2.5190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3173   -0.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5914    0.4067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3399    1.8134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6551   -0.8547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0535    0.1621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8081    2.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1676    1.1244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793    1.0873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5308   -0.3193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7157    1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3717    2.0084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7475    0.0665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4035    0.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4960    1.4731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1520    1.9586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
 13  1  1  6  0  0  0
 14  7  1  0  0  0  0
 14 11  1  0  0  0  0
 15  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16  4  1  0  0  0  0
 16 14  1  1  0  0  0
 17  3  1  0  0  0  0
 18 10  1  0  0  0  0
 19  8  1  0  0  0  0
 20  7  1  0  0  0  0
 21 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 13  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26  2  1  1  0  0  0
 26 10  1  0  0  0  0
 26 16  1  0  0  0  0
 27  5  1  0  0  0  0
 27  9  1  0  0  0  0
 28 12  1  1  0  0  0
 28 19  1  0  0  0  0
 28 21  1  0  0  0  0
 28 27  1  0  0  0  0
 29  6  1  0  0  0  0
 29 17  1  0  0  0  0
 29 26  1  0  0  0  0
 30 12  1  0  0  0  0
 18 31  1  6  0  0  0
 19 32  1  6  0  0  0
 33 20  2  0  0  0  0
 22 34  1  1  0  0  0
 23 35  1  1  0  0  0
 24 36  1  6  0  0  0
 27 37  1  1  0  0  0
 29 38  1  1  0  0  0
 39 11  1  0  0  0  0
 39 20  1  0  0  0  0
 40 13  1  0  0  0  0
 40 25  1  0  0  0  0
 15 41  1  1  0  0  0
 25 41  1  1  0  0  0
 13 42  1  1  0  0  0
 43 14  1  0  0  0  0
 15 44  1  6  0  0  0
 16 45  1  6  0  0  0
 17 46  1  1  0  0  0
 18 47  1  1  0  0  0
 19 48  1  6  0  0  0
 21 49  1  6  0  0  0
 22 50  1  6  0  0  0
 23 51  1  1  0  0  0
 24 52  1  1  0  0  0
 25 53  1  6  0  0  0
M  END


  Mrv1652306172222112D          

 53 58  0  0  1  0            999 V2000
    5.8429   -0.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073    0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8399    2.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5867    1.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520    2.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0962    2.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6883    0.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2475    0.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9960    2.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9990    0.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6344   -0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6232    0.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1232   -0.2240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8637    0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5278    1.6682    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3574    0.9689    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5596    1.8632    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8111    0.4566    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4354    0.7470    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9686   -0.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0914    1.2325    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9354   -0.0788    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2157    0.6972    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6838    1.3279    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8717    1.1827    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4672    0.9421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1838    2.1537    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9035    1.3777    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7475    1.7180    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1551   -0.0289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3429   -0.1741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6647   -0.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7611   -0.6609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4672   -0.7095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0278    0.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    2.1038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    2.9296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451    2.5190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3173   -0.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5914    0.4067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3399    1.8134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6551   -0.8547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0535    0.1621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8081    2.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1676    1.1244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793    1.0873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5308   -0.3193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7157    1.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3717    2.0084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7475    0.0665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4035    0.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4960    1.4731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1520    1.9586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
 13  1  1  6  0  0  0
 14  7  1  0  0  0  0
 14 11  1  0  0  0  0
 15  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16  4  1  0  0  0  0
 16 14  1  1  0  0  0
 17  3  1  0  0  0  0
 18 10  1  0  0  0  0
 19  8  1  0  0  0  0
 20  7  1  0  0  0  0
 21 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 13  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26  2  1  1  0  0  0
 26 10  1  0  0  0  0
 26 16  1  0  0  0  0
 27  5  1  0  0  0  0
 27  9  1  0  0  0  0
 28 12  1  1  0  0  0
 28 19  1  0  0  0  0
 28 21  1  0  0  0  0
 28 27  1  0  0  0  0
 29  6  1  0  0  0  0
 29 17  1  0  0  0  0
 29 26  1  0  0  0  0
 30 12  1  0  0  0  0
 18 31  1  6  0  0  0
 19 32  1  6  0  0  0
 33 20  2  0  0  0  0
 22 34  1  1  0  0  0
 23 35  1  1  0  0  0
 24 36  1  6  0  0  0
 27 37  1  1  0  0  0
 29 38  1  1  0  0  0
 39 11  1  0  0  0  0
 39 20  1  0  0  0  0
 40 13  1  0  0  0  0
 40 25  1  0  0  0  0
 15 41  1  1  0  0  0
 25 41  1  1  0  0  0
 13 42  1  1  0  0  0
 43 14  1  0  0  0  0
 15 44  1  6  0  0  0
 16 45  1  6  0  0  0
 17 46  1  1  0  0  0
 18 47  1  1  0  0  0
 19 48  1  6  0  0  0
 21 49  1  6  0  0  0
 22 50  1  6  0  0  0
 23 51  1  1  0  0  0
 24 52  1  1  0  0  0
 25 53  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0055928

> <DATABASE_NAME>
MIME

> <SMILES>
[H]C1(COC(=O)C1)[C@@]1([H])CC[C@]2(O)[C@]3([H])CC[C@]4(O)C[C@]([H])(C[C@@]([H])(O)[C@]4(CO)[C@@]3([H])[C@]([H])(O)C[C@]12C)O[C@]1([H])O[C@@]([H])(C)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C29H46O12/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/h13-19,21-25,30-32,34-38H,3-12H2,1-2H3/t13-,14?,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1

> <INCHI_KEY>
ZTFGOPUOTATSAL-CFVDWFIMSA-N

> <FORMULA>
C29H46O12

> <MOLECULAR_WEIGHT>
586.675

> <EXACT_MASS>
586.298926921

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
61.39343555876034

> <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[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]oxolan-2-one

> <JCHEM_LOGP>
-3.0472586180000003

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.14422712896711

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.209638326414378

> <JCHEM_PKA_STRONGEST_BASIC>
-2.829529493873454

> <JCHEM_POLAR_SURFACE_AREA>
206.6

> <JCHEM_REFRACTIVITY>
140.0841

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_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[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]oxolan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JUN-22         0                                  
HETATM    1  C   UNK     0      10.907  -1.866   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.200   0.373   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.434   4.926   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.095   3.288   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.950   5.197   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.179   4.152   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.151   0.643   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.929   1.666   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.459   4.291   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.865   0.581   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.184  -0.887   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.897   1.123   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      11.430  -0.418   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.612   0.593   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.452   3.114   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.667   1.809   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.911   3.478   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.381   0.852   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.413   1.394   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.675  -0.806   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.904   2.301   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.946  -0.147   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      13.469   1.301   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      12.477   2.479   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      10.961   2.208   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.872   1.759   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.943   4.020   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.420   2.572   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.395   3.207   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       5.889  -0.054   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       4.374  -0.325   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       6.841  -0.085   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -5.154  -1.234   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      13.939  -1.324   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      14.985   1.572   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      13.000   3.927   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       6.466   5.469   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       1.764   4.702   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -2.459  -1.751   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      10.437   0.759   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       9.968   3.385   0.000  0.00  0.00           O+0
HETATM   42  H   UNK     0      12.423  -1.595   0.000  0.00  0.00           H+0
HETATM   43  H   UNK     0      -0.100   0.303   0.000  0.00  0.00           H+0
HETATM   44  H   UNK     0       8.975   4.562   0.000  0.00  0.00           H+0
HETATM   45  H   UNK     0      -2.180   2.099   0.000  0.00  0.00           H+0
HETATM   46  H   UNK     0       2.388   2.030   0.000  0.00  0.00           H+0
HETATM   47  H   UNK     0       2.858  -0.596   0.000  0.00  0.00           H+0
HETATM   48  H   UNK     0       6.936   2.843   0.000  0.00  0.00           H+0
HETATM   49  H   UNK     0       4.427   3.749   0.000  0.00  0.00           H+0
HETATM   50  H   UNK     0      14.462   0.124   0.000  0.00  0.00           H+0
HETATM   51  H   UNK     0      11.953   1.030   0.000  0.00  0.00           H+0
HETATM   52  H   UNK     0      13.992   2.750   0.000  0.00  0.00           H+0
HETATM   53  H   UNK     0      11.484   3.656   0.000  0.00  0.00           H+0
CONECT    1   13                                                            
CONECT    2   26                                                            
CONECT    3    5   17                                                       
CONECT    4    6   16                                                       
CONECT    5    3   27                                                       
CONECT    6    4   29                                                       
CONECT    7   14   20                                                       
CONECT    8   15   19                                                       
CONECT    9   15   27                                                       
CONECT   10   18   26                                                       
CONECT   11   14   39                                                       
CONECT   12   28   30                                                       
CONECT   13    1   22   40   42                                             
CONECT   14    7   11   16   43                                             
CONECT   15    8    9   41   44                                             
CONECT   16    4   14   26   45                                             
CONECT   17    3   21   29   46                                             
CONECT   18   10   21   31   47                                             
CONECT   19    8   28   32   48                                             
CONECT   20    7   33   39                                                  
CONECT   21   17   18   28   49                                             
CONECT   22   13   23   34   50                                             
CONECT   23   22   24   35   51                                             
CONECT   24   23   25   36   52                                             
CONECT   25   24   40   41   53                                             
CONECT   26    2   10   16   29                                             
CONECT   27    5    9   28   37                                             
CONECT   28   12   19   21   27                                             
CONECT   29    6   17   26   38                                             
CONECT   30   12                                                            
CONECT   31   18                                                            
CONECT   32   19                                                            
CONECT   33   20                                                            
CONECT   34   22                                                            
CONECT   35   23                                                            
CONECT   36   24                                                            
CONECT   37   27                                                            
CONECT   38   29                                                            
CONECT   39   11   20                                                       
CONECT   40   13   25                                                       
CONECT   41   15   25                                                       
CONECT   42   13                                                            
CONECT   43   14                                                            
CONECT   44   15                                                            
CONECT   45   16                                                            
CONECT   46   17                                                            
CONECT   47   18                                                            
CONECT   48   19                                                            
CONECT   49   21                                                            
CONECT   50   22                                                            
CONECT   51   23                                                            
CONECT   52   24                                                            
CONECT   53   25                                                            
MASTER        0    0    0    0    0    0    0    0   53    0  116    0
END

Synonyms

Value	Source
(1beta,3beta,5beta,11alpha,20XI)-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxycardanolide	ChEBI
3beta-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-1beta,5,11alpha,14,19-pentahydroxy-5beta,20xi-cardanolide	ChEBI
Dihydro-g-strophanthin	ChEBI
(1b,3b,5b,11a,20XI)-3-[(6-deoxy-a-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxycardanolide	Generator
(1Β,3β,5β,11α,20xi)-3-[(6-deoxy-α-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxycardanolide	Generator
3b-[(6-Deoxy-a-L-mannopyranosyl)oxy]-1b,5,11a,14,19-pentahydroxy-5b,20xi-cardanolide	Generator
3Β-[(6-deoxy-α-L-mannopyranosyl)oxy]-1β,5,11α,14,19-pentahydroxy-5β,20xi-cardanolide	Generator

Molecular Formula

C₂₉H₄₆O₁₂

Average Mass

586.675

Monoisotopic Mass

586.298926921

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[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]oxolan-2-one

Traditional Name

CAS Registry Number

Not Available

SMILES

[H]C1(COC(=O)C1)[C@@]1([H])CC[C@]2(O)[C@]3([H])CC[C@]4(O)C[C@]([H])(C[C@@]([H])(O)[C@]4(CO)[C@@]3([H])[C@]([H])(O)C[C@]12C)O[C@]1([H])O[C@@]([H])(C)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O

InChI Identifier

InChI=1S/C29H46O12/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/h13-19,21-25,30-32,34-38H,3-12H2,1-2H3/t13-,14?,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1

InChI Key

ZTFGOPUOTATSAL-CFVDWFIMSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cardenolide glycosides and derivatives. Cardenolide glycosides and derivatives are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroid lactones

Direct Parent

Cardenolide glycosides and derivatives

Alternative Parents

Substituents

Cardanolide-glycoside
Steroidal glycoside
19-hydroxysteroid
1-hydroxysteroid
14-hydroxysteroid
5-hydroxysteroid
11-hydroxysteroid
11-alpha-hydroxysteroid
Hydroxysteroid
Glycosyl compound
O-glycosyl compound
Gamma butyrolactone
Monosaccharide
Oxane
Tertiary alcohol
Cyclic alcohol
Tetrahydrofuran
Secondary alcohol
Carboxylic acid ester
Lactone
Polyol
Carboxylic acid derivative
Acetal
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Alcohol
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Carbonyl group
Primary alcohol
Organooxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
logP	-3	ChemAxon
pKa (Strongest Acidic)	12.21	ChemAxon
pKa (Strongest Basic)	-2.8	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	140.08 m³·mol⁻¹	ChemAxon
Polarizability	61.39 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 (TMS_3_32) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	Not Available	2022-08-10	View Spectrum
MS	Mass Spectrum (Electron Ionization)	Not Available	2022-08-06	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-18	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	829.099
Gas Chromatography	dihydroouabain_TMS_2	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](C6COC(=O)C6)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	3002.15
Gas Chromatography	dihydroouabain_TMS_3	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](C6COC(=O)C6)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	965.599
Gas Chromatography	dihydroouabain_TMS_4	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](C6COC(=O)C6)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	4101.52
Gas Chromatography	dihydroouabain_TMS_5	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](C6COC(=O)C6)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	1723.01
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1129.4
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2123.59
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2232.78
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1098.97
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1696.48
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1653.31
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1245.69
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2943.22
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	643.785
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1860.51
Gas Chromatography	dihydroouabain_TMS_16	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](C6COC(=O)C6)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	1561.91
Gas Chromatography	dihydroouabain_TMS_17	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](C6COC(=O)C6)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	1029.76
Gas Chromatography	dihydroouabain_TMS_18	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](C6COC(=O)C6)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	2711.55
Gas Chromatography	dihydroouabain_TMS_19	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](C6COC(=O)C6)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	2327.68
Gas Chromatography	dihydroouabain_TMS_20	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](C6COC(=O)C6)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	1120.87
Gas Chromatography	dihydroouabain_TMS_21	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](C6COC(=O)C6)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	2115.98
Gas Chromatography	dihydroouabain_TMS_22	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](C6COC(=O)C6)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	1877.48
Gas Chromatography	dihydroouabain_TMS_23	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](C6COC(=O)C6)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	2576.22
Gas Chromatography	dihydroouabain_TMS_24	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](C6COC(=O)C6)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	2160.17
Gas Chromatography	dihydroouabain_TMS_25	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](C6COC(=O)C6)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	1712.14
Gas Chromatography	dihydroouabain_TMS_26	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](C6COC(=O)C6)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	2621.43
Gas Chromatography	dihydroouabain_TMS_27	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](C6COC(=O)C6)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	2147.81
Gas Chromatography	dihydroouabain_TMS_28	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](C6COC(=O)C6)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	1196.13
Gas Chromatography	dihydroouabain_TMS_29	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](C6COC(=O)C6)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	-661.896
Gas Chromatography	dihydroouabain_TMS_30	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](C6COC(=O)C6)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	2255.14
Gas Chromatography	dihydroouabain_TMS_31	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](C6COC(=O)C6)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	1312.75
Gas Chromatography	dihydroouabain_TMS_32	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](C6COC(=O)C6)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	2724.72
Gas Chromatography	dihydroouabain_TMS_33	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](C6COC(=O)C6)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	1335.43
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2042.34
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1968.69
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2824.73
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1562.25
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2580.79
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1165.15
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2461.81
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	370.259
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1357.99
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2542.27
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	699.633
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2486.8
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2029.11
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2388.62
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2312.67
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	70.3873
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2019.49
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2402.1
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2270.7
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2042.16
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1988.58
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1420.47
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2824.45
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1498.21
Gas Chromatography	dihydroouabain_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)C[C@]5(C)[C@@H](C6COC(=O)C6)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	3135.03
Gas Chromatography	dihydroouabain_TMS_59	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](C6COC(=O)C6)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	1795.68
Gas Chromatography	dihydroouabain_TMS_60	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](C6COC(=O)C6)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	2617.53
Gas Chromatography	dihydroouabain_TMS_61	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](C6COC(=O)C6)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	2251.17
Gas Chromatography	dihydroouabain_TMS_62	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](C6COC(=O)C6)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	1424.11
Gas Chromatography	dihydroouabain_TMS_63	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](C6COC(=O)C6)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	2252.25
Gas Chromatography	dihydroouabain_TMS_64	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](C6COC(=O)C6)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	1745.06
Gas Chromatography	dihydroouabain_TMS_65	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](C6COC(=O)C6)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	2675.28
Gas Chromatography	dihydroouabain_TMS_66	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](C6COC(=O)C6)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	4554.77
Gas Chromatography	dihydroouabain_TMS_67	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](C6COC(=O)C6)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	3067.25
Gas Chromatography	dihydroouabain_TMS_68	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](C6COC(=O)C6)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	2622.74
Gas Chromatography	dihydroouabain_TMS_69	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](C6COC(=O)C6)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	2163.56
Gas Chromatography	dihydroouabain_TMS_70	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](C6COC(=O)C6)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	815.985
Gas Chromatography	dihydroouabain_TMS_71	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](C6COC(=O)C6)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	856.942
Gas Chromatography	dihydroouabain_TMS_72	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](C6COC(=O)C6)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	2617.91
Gas Chromatography	dihydroouabain_TMS_73	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](C6COC(=O)C6)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	2050.27
Gas Chromatography	dihydroouabain_TMS_74	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](C6COC(=O)C6)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	3096.67
Gas Chromatography	dihydroouabain_TMS_75	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](C6COC(=O)C6)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	2826.63
Gas Chromatography	dihydroouabain_TMS_76	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](C6COC(=O)C6)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	2366.69
Gas Chromatography	dihydroouabain_TMS_77	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](C6COC(=O)C6)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	2101.53
Gas Chromatography	dihydroouabain_TMS_78	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](C6COC(=O)C6)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	1926.93
Gas Chromatography	dihydroouabain_TMS_79	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](C6COC(=O)C6)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	1833.89
Gas Chromatography	dihydroouabain_TMS_80	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](C6COC(=O)C6)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	2569.01
Gas Chromatography	dihydroouabain_TMS_81	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](C6COC(=O)C6)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	1247.59
Gas Chromatography	dihydroouabain_TMS_82	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](C6COC(=O)C6)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	2158.95
Gas Chromatography	dihydroouabain_TMS_83	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](C6COC(=O)C6)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	2580.08
Gas Chromatography	dihydroouabain_TMS_84	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](C6COC(=O)C6)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	-12.4407
Gas Chromatography	dihydroouabain_TMS_85	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](C6COC(=O)C6)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	2612.49
Gas Chromatography	dihydroouabain_TMS_86	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](C6COC(=O)C6)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	1870.08
Gas Chromatography	dihydroouabain_TMS_87	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](C6COC(=O)C6)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	1576.59
Gas Chromatography	dihydroouabain_TMS_88	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](C6COC(=O)C6)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	1811.5
Gas Chromatography	dihydroouabain_TMS_89	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](C6COC(=O)C6)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	1827.02
Gas Chromatography	dihydroouabain_TMS_90	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](C6COC(=O)C6)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	1543.93
Gas Chromatography	dihydroouabain_TMS_91	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](C6COC(=O)C6)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	924.984
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2028.58
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	876.898
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1622.22
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2098.45
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1844.5
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1585.75
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	864.295
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1552.36
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	3438.32
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2268.54
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2246.29
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1414.58
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2426.46
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1225.62
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1671.71
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1354.95
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1972.71
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	203.158
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1773.94
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2503.64
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1650.87
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1955.5
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2648.04
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2418.03
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	627.83
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1017.55
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	3168.53
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1308.6
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1676.73
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1974.25
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	3026.41
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1932.8
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1247.69
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	924.398
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2371.49
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1904.05
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	824.389
Gas Chromatography	dihydroouabain_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)C[C@]5(C)[C@@H](C6COC(=O)C6)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	2471.03
Gas Chromatography	dihydroouabain_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)C[C@]5(C)[C@@H](C6COC(=O)C6)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	1846.4
Gas Chromatography	dihydroouabain_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)C[C@]5(C)[C@@H](C6COC(=O)C6)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	4413.95
Gas Chromatography	dihydroouabain_TMS_132	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](C6COC(=O)C6)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	1206.43
Gas Chromatography	dihydroouabain_TMS_133	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](C6COC(=O)C6)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	2443.78
Gas Chromatography	dihydroouabain_TMS_134	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](C6COC(=O)C6)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	665.198
Gas Chromatography	dihydroouabain_TMS_135	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](C6COC(=O)C6)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	836.063
Gas Chromatography	dihydroouabain_TMS_136	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](C6COC(=O)C6)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	3974.87
Gas Chromatography	dihydroouabain_TMS_137	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](C6COC(=O)C6)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	1767.28
Gas Chromatography	dihydroouabain_TMS_138	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](C6COC(=O)C6)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	1698.03
Gas Chromatography	dihydroouabain_TMS_139	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](C6COC(=O)C6)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	636.506
Gas Chromatography	dihydroouabain_TMS_140	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](C6COC(=O)C6)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	1815.23
Gas Chromatography	dihydroouabain_TMS_141	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](C6COC(=O)C6)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	1987.93
Gas Chromatography	dihydroouabain_TMS_142	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](C6COC(=O)C6)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	3445.44
Gas Chromatography	dihydroouabain_TMS_143	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](C6COC(=O)C6)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	1761.76
Gas Chromatography	dihydroouabain_TMS_144	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](C6COC(=O)C6)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	1805.81
Gas Chromatography	dihydroouabain_TMS_145	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](C6COC(=O)C6)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	2270.56
Gas Chromatography	dihydroouabain_TMS_146	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](C6COC(=O)C6)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	3128.46
Gas Chromatography	dihydroouabain_TMS_147	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](C6COC(=O)C6)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	2320.62
Gas Chromatography	dihydroouabain_TMS_148	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](C6COC(=O)C6)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	1559.1
Gas Chromatography	dihydroouabain_TMS_149	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](C6COC(=O)C6)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	1621.7
Gas Chromatography	dihydroouabain_TMS_150	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](C6COC(=O)C6)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	1916.54
Gas Chromatography	dihydroouabain_TMS_151	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](C6COC(=O)C6)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	2239.23
Gas Chromatography	dihydroouabain_TMS_152	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](C6COC(=O)C6)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	3029.44
Gas Chromatography	dihydroouabain_TMS_153	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](C6COC(=O)C6)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	2414.83
Gas Chromatography	dihydroouabain_TMS_154	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](C6COC(=O)C6)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	994.485
Gas Chromatography	dihydroouabain_TMS_155	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](C6COC(=O)C6)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	1173.24
Gas Chromatography	dihydroouabain_TMS_156	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](C6COC(=O)C6)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	1482.59
Gas Chromatography	dihydroouabain_TMS_157	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](C6COC(=O)C6)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	2798.53
Gas Chromatography	dihydroouabain_TMS_158	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](C6COC(=O)C6)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	1864.0
Gas Chromatography	dihydroouabain_TMS_159	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](C6COC(=O)C6)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	2604.81
Gas Chromatography	dihydroouabain_TMS_160	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](C6COC(=O)C6)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	1290.86
Gas Chromatography	dihydroouabain_TMS_161	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](C6COC(=O)C6)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	1845.84
Gas Chromatography	dihydroouabain_TMS_162	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](C6COC(=O)C6)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	2832.97
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	468.35
Gas Chromatography	dihydroouabain_TMS_2	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](C6COC(=O)C6)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	2447.48
Gas Chromatography	dihydroouabain_TMS_3	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](C6COC(=O)C6)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	1952.32
Gas Chromatography	dihydroouabain_TMS_4	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](C6COC(=O)C6)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	2585.65
Gas Chromatography	dihydroouabain_TMS_5	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](C6COC(=O)C6)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	1481.35
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1624.59
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1647.1
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1379.54
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1242.22
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1793.35
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1227.93
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2951.58
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	774.767
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2268.11
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1255.52
Gas Chromatography	dihydroouabain_TMS_16	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](C6COC(=O)C6)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	1322.99
Gas Chromatography	dihydroouabain_TMS_17	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](C6COC(=O)C6)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	2234.41
Gas Chromatography	dihydroouabain_TMS_18	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](C6COC(=O)C6)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	2118.11
Gas Chromatography	dihydroouabain_TMS_19	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](C6COC(=O)C6)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	1708.81
Gas Chromatography	dihydroouabain_TMS_20	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](C6COC(=O)C6)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	2497.29
Gas Chromatography	dihydroouabain_TMS_21	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](C6COC(=O)C6)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	2528.42
Gas Chromatography	dihydroouabain_TMS_22	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](C6COC(=O)C6)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	1743.89
Gas Chromatography	dihydroouabain_TMS_23	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](C6COC(=O)C6)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	2715.8
Gas Chromatography	dihydroouabain_TMS_24	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](C6COC(=O)C6)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	1153.87
Gas Chromatography	dihydroouabain_TMS_25	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](C6COC(=O)C6)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	1992.42
Gas Chromatography	dihydroouabain_TMS_26	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](C6COC(=O)C6)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	2549.36
Gas Chromatography	dihydroouabain_TMS_27	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](C6COC(=O)C6)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	3088.07
Gas Chromatography	dihydroouabain_TMS_28	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](C6COC(=O)C6)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	2019.67
Gas Chromatography	dihydroouabain_TMS_29	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](C6COC(=O)C6)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	3250.51
Gas Chromatography	dihydroouabain_TMS_30	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](C6COC(=O)C6)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	2861.53
Gas Chromatography	dihydroouabain_TMS_31	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](C6COC(=O)C6)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	2085.83
Gas Chromatography	dihydroouabain_TMS_32	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](C6COC(=O)C6)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	1505.2
Gas Chromatography	dihydroouabain_TMS_33	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](C6COC(=O)C6)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	3442.22
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2405.19
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1444.48
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	3420.4
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1837.79
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2416.35
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	648.752
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	3013.39
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2539.41
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2968.13
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1875.8
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2198.89
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1146.31
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2139.81
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	3016.24
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1475.38
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1230.46
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1679.3
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2094.42
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1440.55
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1842.21
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2153.82
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	731.184
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2879.13
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1941.52
Gas Chromatography	dihydroouabain_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)C[C@]5(C)[C@@H](C6COC(=O)C6)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	2718.18
Gas Chromatography	dihydroouabain_TMS_59	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](C6COC(=O)C6)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	1155.71
Gas Chromatography	dihydroouabain_TMS_60	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](C6COC(=O)C6)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	1107.96
Gas Chromatography	dihydroouabain_TMS_61	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](C6COC(=O)C6)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	2688.5
Gas Chromatography	dihydroouabain_TMS_62	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](C6COC(=O)C6)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	1697.0
Gas Chromatography	dihydroouabain_TMS_63	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](C6COC(=O)C6)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	2286.38
Gas Chromatography	dihydroouabain_TMS_64	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](C6COC(=O)C6)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	2816.48
Gas Chromatography	dihydroouabain_TMS_65	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](C6COC(=O)C6)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	2158.22
Gas Chromatography	dihydroouabain_TMS_66	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](C6COC(=O)C6)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	3255.66
Gas Chromatography	dihydroouabain_TMS_67	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](C6COC(=O)C6)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	2400.16
Gas Chromatography	dihydroouabain_TMS_68	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](C6COC(=O)C6)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	1299.34
Gas Chromatography	dihydroouabain_TMS_69	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](C6COC(=O)C6)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	1370.79
Gas Chromatography	dihydroouabain_TMS_70	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](C6COC(=O)C6)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	3085.17
Gas Chromatography	dihydroouabain_TMS_71	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](C6COC(=O)C6)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	2082.98
Gas Chromatography	dihydroouabain_TMS_72	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](C6COC(=O)C6)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	2118.43
Gas Chromatography	dihydroouabain_TMS_73	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](C6COC(=O)C6)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	2927.05
Gas Chromatography	dihydroouabain_TMS_74	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](C6COC(=O)C6)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	721.923
Gas Chromatography	dihydroouabain_TMS_75	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](C6COC(=O)C6)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	289.588
Gas Chromatography	dihydroouabain_TMS_76	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](C6COC(=O)C6)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	2464.91
Gas Chromatography	dihydroouabain_TMS_77	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](C6COC(=O)C6)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	1198.22
Gas Chromatography	dihydroouabain_TMS_78	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](C6COC(=O)C6)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	1945.65
Gas Chromatography	dihydroouabain_TMS_79	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](C6COC(=O)C6)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	2680.73
Gas Chromatography	dihydroouabain_TMS_80	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](C6COC(=O)C6)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	1947.53
Gas Chromatography	dihydroouabain_TMS_81	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](C6COC(=O)C6)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	3789.32
Gas Chromatography	dihydroouabain_TMS_82	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](C6COC(=O)C6)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	2695.38
Gas Chromatography	dihydroouabain_TMS_83	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](C6COC(=O)C6)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	1823.93
Gas Chromatography	dihydroouabain_TMS_84	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](C6COC(=O)C6)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	854.647
Gas Chromatography	dihydroouabain_TMS_85	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](C6COC(=O)C6)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	955.897
Gas Chromatography	dihydroouabain_TMS_86	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](C6COC(=O)C6)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	1875.64
Gas Chromatography	dihydroouabain_TMS_87	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](C6COC(=O)C6)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	2618.34
Gas Chromatography	dihydroouabain_TMS_88	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](C6COC(=O)C6)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	2423.05
Gas Chromatography	dihydroouabain_TMS_89	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](C6COC(=O)C6)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	3589.23
Gas Chromatography	dihydroouabain_TMS_90	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](C6COC(=O)C6)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	612.698
Gas Chromatography	dihydroouabain_TMS_91	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](C6COC(=O)C6)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	3063.06
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2150.39
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	-362.236
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1962.28
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2666.71
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	857.05
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2050.98
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1955.64
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	4326.52
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1390.24
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1845.21
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2498.49
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	728.573
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2377.09
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1633.66
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	797.814
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	3023.64
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2832.85
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1541.27
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	3284.28
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	699.81
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1964.7
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1533.56
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1871.59
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	963.621
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	491.456
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	1689.02
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	3753.66
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2562.54
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2021.53
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2646.69
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2384.11
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2987.3
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	470.998
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	426.811
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	3043.32
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2507.81
Gas Chromatography	dihydroouabain_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](C6COC(=O)C6)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	2060.65
Gas Chromatography	dihydroouabain_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)C[C@]5(C)[C@@H](C6COC(=O)C6)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	1649.24
Gas Chromatography	dihydroouabain_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)C[C@]5(C)[C@@H](C6COC(=O)C6)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	1878.36
Gas Chromatography	dihydroouabain_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)C[C@]5(C)[C@@H](C6COC(=O)C6)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	274.803
Gas Chromatography	dihydroouabain_TMS_132	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](C6COC(=O)C6)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	2582.8
Gas Chromatography	dihydroouabain_TMS_133	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](C6COC(=O)C6)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	2737.28
Gas Chromatography	dihydroouabain_TMS_134	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](C6COC(=O)C6)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	3368.29
Gas Chromatography	dihydroouabain_TMS_135	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](C6COC(=O)C6)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	455.183
Gas Chromatography	dihydroouabain_TMS_136	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](C6COC(=O)C6)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	2474.37
Gas Chromatography	dihydroouabain_TMS_137	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](C6COC(=O)C6)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	1290.53
Gas Chromatography	dihydroouabain_TMS_138	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](C6COC(=O)C6)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	2332.14
Gas Chromatography	dihydroouabain_TMS_139	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](C6COC(=O)C6)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	1829.68
Gas Chromatography	dihydroouabain_TMS_140	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](C6COC(=O)C6)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	2760.42
Gas Chromatography	dihydroouabain_TMS_141	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](C6COC(=O)C6)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	3601.29
Gas Chromatography	dihydroouabain_TMS_142	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](C6COC(=O)C6)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	2585.27
Gas Chromatography	dihydroouabain_TMS_143	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](C6COC(=O)C6)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	1947.95
Gas Chromatography	dihydroouabain_TMS_144	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](C6COC(=O)C6)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	136.425
Gas Chromatography	dihydroouabain_TMS_145	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](C6COC(=O)C6)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	3764.27
Gas Chromatography	dihydroouabain_TMS_146	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](C6COC(=O)C6)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	3769.71
Gas Chromatography	dihydroouabain_TMS_147	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](C6COC(=O)C6)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	1860.42
Gas Chromatography	dihydroouabain_TMS_148	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](C6COC(=O)C6)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	1644.63
Gas Chromatography	dihydroouabain_TMS_149	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](C6COC(=O)C6)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	1319.04
Gas Chromatography	dihydroouabain_TMS_150	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](C6COC(=O)C6)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	2429.24
Gas Chromatography	dihydroouabain_TMS_151	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](C6COC(=O)C6)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	1792.88
Gas Chromatography	dihydroouabain_TMS_152	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](C6COC(=O)C6)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	1865.76
Gas Chromatography	dihydroouabain_TMS_153	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](C6COC(=O)C6)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	3190.18
Gas Chromatography	dihydroouabain_TMS_154	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](C6COC(=O)C6)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	2568.16
Gas Chromatography	dihydroouabain_TMS_155	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](C6COC(=O)C6)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	2600.64
Gas Chromatography	dihydroouabain_TMS_156	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](C6COC(=O)C6)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	423.152
Gas Chromatography	dihydroouabain_TMS_157	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](C6COC(=O)C6)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	1842.16
Gas Chromatography	dihydroouabain_TMS_158	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](C6COC(=O)C6)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	2164.8
Gas Chromatography	dihydroouabain_TMS_159	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](C6COC(=O)C6)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	2587.66
Gas Chromatography	dihydroouabain_TMS_160	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](C6COC(=O)C6)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	2153.84
Gas Chromatography	dihydroouabain_TMS_161	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](C6COC(=O)C6)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	1593.36
Gas Chromatography	dihydroouabain_TMS_162	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](C6COC(=O)C6)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	1188.41

Biological Properties

Cellular Locations

Not Available

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

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

Host Biospecimen and Location

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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

5254723

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6852401

PDB ID

Not Available

ChEBI ID

131146

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for dihydroouabain (MMDBc0055928)

MOL for #<Metabolite:0x00007fae00b852a8>

3D MOL for #<Metabolite:0x00007fae00b852a8>

3D SDF for #<Metabolite:0x00007fae00b852a8>

3D-SDF for #<Metabolite:0x00007fae00b852a8>

PDB for #<Metabolite:0x00007fae00b852a8>

3D PDB for #<Metabolite:0x00007fae00b852a8>

SMILES for #<Metabolite:0x00007fae00b852a8>

INCHI for #<Metabolite:0x00007fae00b852a8>

Structure for #<Metabolite:0x00007fae00b852a8>

3D Structure for #<Metabolite:0x00007fae00b852a8>