MiMeDB: Showing metabocard for A-500359 M2 (MMDBc0002299)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-14 20:45:30 UTC

Update Date

2025-10-07 16:04:34 UTC

Metabolite ID

MMDBc0002299

Metabolite Identification

Common Name

A-500359 M2

Description

A-500359 M2 is a metabolite belonging to the class of organic compounds. There is little literature available on this metabolite, indicating that further research may be needed to fully understand its properties and potential biological significance.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305142122452D          

 51 54  0  0  1  0            999 V2000
   -5.5029   12.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291    8.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9175    5.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326    5.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7044    7.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1912   11.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5663   10.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9982   11.7265    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2189   10.0445    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5328    6.8166    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0913    8.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5819    4.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7482    6.5616    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3821    7.1558    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7147    7.6407    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0472    7.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7374    7.4108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9089    8.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0204   10.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2628    8.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1272    6.3712    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1351    7.1137    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2765    4.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    8.7698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3672   10.9886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0474    9.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7614    4.2826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6121    5.7038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1459    6.2645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0669    3.7014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5767    5.7547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    7.4108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6935    8.4727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5444    9.6028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6497    9.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4560    4.8638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7147    8.4657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3066    7.9206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3022    6.3712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3505    6.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5540   11.3740    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8193   11.6464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8110    9.4699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3613    6.0096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9197    7.3686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5112    7.9707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0204    8.0153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5361    6.5725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5220    7.6657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7526    5.6361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9636    6.3067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  8  1  1  6  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  3  1  0  0  0  0
 13 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19  9  1  0  0  0  0
 20 11  1  0  0  0  0
 21 14  1  0  0  0  0
 22 13  1  0  0  0  0
 24 18  2  0  0  0  0
 25  8  1  0  0  0  0
 25 19  2  0  0  0  0
  9 26  1  1  0  0  0
 26 20  2  0  0  0  0
 27 12  2  0  0  0  0
 27 23  1  0  0  0  0
 28  4  1  0  0  0  0
 21 28  1  6  0  0  0
 28 23  1  0  0  0  0
 10 29  1  6  0  0  0
 30 12  1  0  0  0  0
 13 31  1  6  0  0  0
 14 32  1  1  0  0  0
 33 18  1  0  0  0  0
 34 19  1  0  0  0  0
 20 35  1  4  0  0  0
 36 23  2  0  0  0  0
 37  2  1  0  0  0  0
 15 37  1  1  0  0  0
 38 11  1  0  0  0  0
 38 22  1  0  0  0  0
 39 16  1  0  0  0  0
 39 21  1  0  0  0  0
 17 40  1  6  0  0  0
 22 40  1  1  0  0  0
 41  6  1  0  0  0  0
 41  7  1  0  0  0  0
  8 42  1  1  0  0  0
  9 43  1  6  0  0  0
 10 44  1  1  0  0  0
 13 45  1  6  0  0  0
 14 46  1  6  0  0  0
 15 47  1  6  0  0  0
 48 16  1  0  0  0  0
 17 49  1  1  0  0  0
 21 50  1  1  0  0  0
 22 51  1  6  0  0  0
M  END


  Mrv1652305142122452D          

 51 54  0  0  1  0            999 V2000
   -5.5029   12.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291    8.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9175    5.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326    5.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7044    7.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1912   11.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5663   10.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9982   11.7265    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2189   10.0445    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5328    6.8166    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0913    8.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5819    4.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7482    6.5616    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3821    7.1558    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7147    7.6407    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0472    7.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7374    7.4108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9089    8.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0204   10.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2628    8.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1272    6.3712    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1351    7.1137    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2765    4.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    8.7698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3672   10.9886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0474    9.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7614    4.2826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6121    5.7038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1459    6.2645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0669    3.7014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5767    5.7547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    7.4108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6935    8.4727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5444    9.6028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6497    9.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4560    4.8638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7147    8.4657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3066    7.9206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3022    6.3712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3505    6.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5540   11.3740    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8193   11.6464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8110    9.4699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3613    6.0096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9197    7.3686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5112    7.9707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0204    8.0153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5361    6.5725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5220    7.6657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7526    5.6361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9636    6.3067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  8  1  1  6  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  3  1  0  0  0  0
 13 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19  9  1  0  0  0  0
 20 11  1  0  0  0  0
 21 14  1  0  0  0  0
 22 13  1  0  0  0  0
 24 18  2  0  0  0  0
 25  8  1  0  0  0  0
 25 19  2  0  0  0  0
  9 26  1  1  0  0  0
 26 20  2  0  0  0  0
 27 12  2  0  0  0  0
 27 23  1  0  0  0  0
 28  4  1  0  0  0  0
 21 28  1  6  0  0  0
 28 23  1  0  0  0  0
 10 29  1  6  0  0  0
 30 12  1  0  0  0  0
 13 31  1  6  0  0  0
 14 32  1  1  0  0  0
 33 18  1  0  0  0  0
 34 19  1  0  0  0  0
 20 35  1  4  0  0  0
 36 23  2  0  0  0  0
 37  2  1  0  0  0  0
 15 37  1  1  0  0  0
 38 11  1  0  0  0  0
 38 22  1  0  0  0  0
 39 16  1  0  0  0  0
 39 21  1  0  0  0  0
 17 40  1  6  0  0  0
 22 40  1  1  0  0  0
 41  6  1  0  0  0  0
 41  7  1  0  0  0  0
  8 42  1  1  0  0  0
  9 43  1  6  0  0  0
 10 44  1  1  0  0  0
 13 45  1  6  0  0  0
 14 46  1  6  0  0  0
 15 47  1  6  0  0  0
 48 16  1  0  0  0  0
 17 49  1  1  0  0  0
 21 50  1  1  0  0  0
 22 51  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0002299

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@](O[C@]1([H])OC(=C[C@@]([H])(O)[C@]1([H])O)C(O)=N[C@]1([H])CSC[C@@]([H])(C)N=C1O)(C(O)=N)C1([H])O[C@@]([H])(N2C=CC(O)=NC2=O)[C@]([H])(O)[C@]1([H])OC

> <INCHI_IDENTIFIER>
InChI=1S/C23H31N5O12S/c1-8-6-41-7-9(19(34)25-8)26-20(35)11-5-10(29)13(31)22(38-11)40-17(18(24)33)16-15(37-2)14(32)21(39-16)28-4-3-12(30)27-23(28)36/h3-5,8-10,13-17,21-22,29,31-32H,6-7H2,1-2H3,(H2,24,33)(H,25,34)(H,26,35)(H,27,30,36)/t8-,9-,10-,13+,14-,15+,16?,17+,21-,22+/m1/s1

> <INCHI_KEY>
CZGXONQQLSSPKM-JQASJSGKSA-N

> <FORMULA>
C23H31N5O12S

> <MOLECULAR_WEIGHT>
601.58

> <EXACT_MASS>
601.168992632

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
56.88358641630606

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4R)-3,4-dihydroxy-N-[(3R,6S)-5-hydroxy-3-methyl-2,3,6,7-tetrahydro-1,4-thiazepin-6-yl]-2-[(S)-[(3S,4R,5R)-4-hydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)-3-methoxyoxolan-2-yl](C-hydroxycarbonimidoyl)methoxy]-3,4-dihydro-2H-pyran-6-carboximidic acid

> <ALOGPS_LOGP>
-0.60

> <JCHEM_LOGP>
-5.224857387415959

> <ALOGPS_LOGS>
-3.29

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
2.0449025101740785

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.8090978788337724

> <JCHEM_PKA_STRONGEST_BASIC>
11.773534773682739

> <JCHEM_POLAR_SURFACE_AREA>
259.7699999999999

> <JCHEM_REFRACTIVITY>
148.95890000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.11e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4R,5S,6R)-4,5-dihydroxy-N-[(3R,6S)-5-hydroxy-3-methyl-2,3,6,7-tetrahydro-1,4-thiazepin-6-yl]-6-[(S)-[(3S,4R,5R)-4-hydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)-3-methoxyoxolan-2-yl](C-hydroxycarbonimidoyl)methoxy]-5,6-dihydro-4H-pyran-2-carboximidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 14-MAY-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   14-MAY-21         0                                  
HETATM    1  C   UNK     0     -10.272  23.108   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.668  16.573   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.446   9.562   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.541  10.808   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.915  14.231   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -7.824  22.210   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -6.657  19.692   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -9.330  21.889   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -7.875  18.750   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -6.595  12.724   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.770  15.261   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.820   8.155   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.130  12.248   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.580  13.358   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  14.263   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.088  13.358   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.376  13.833   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.697  15.340   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -9.371  19.115   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -6.091  16.767   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.104  11.893   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -3.986  13.279   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.383   9.240   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0      -0.552  16.370   0.000  0.00  0.00           N+0
HETATM   25  N   UNK     0     -10.019  20.512   0.000  0.00  0.00           N+0
HETATM   26  N   UNK     0      -7.555  17.243   0.000  0.00  0.00           N+0
HETATM   27  N   UNK     0       3.288   7.994   0.000  0.00  0.00           N+0
HETATM   28  N   UNK     0       3.009  10.647   0.000  0.00  0.00           N+0
HETATM   29  O   UNK     0      -7.739  11.694   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       5.725   6.909   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -4.810  10.742   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       4.045  13.833   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -3.161  15.816   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0     -10.350  17.925   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -4.946  17.798   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       0.851   9.079   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       1.334  15.803   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -4.306  14.785   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       0.564  11.893   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -2.521  12.803   0.000  0.00  0.00           O+0
HETATM   41  S   UNK     0      -6.634  21.232   0.000  0.00  0.00           S+0
HETATM   42  H   UNK     0     -10.863  21.740   0.000  0.00  0.00           H+0
HETATM   43  H   UNK     0      -8.980  17.677   0.000  0.00  0.00           H+0
HETATM   44  H   UNK     0      -6.274  11.218   0.000  0.00  0.00           H+0
HETATM   45  H   UNK     0      -5.450  13.755   0.000  0.00  0.00           H+0
HETATM   46  H   UNK     0       2.821  14.879   0.000  0.00  0.00           H+0
HETATM   47  H   UNK     0      -0.038  14.962   0.000  0.00  0.00           H+0
HETATM   48  H   UNK     0      -1.001  12.269   0.000  0.00  0.00           H+0
HETATM   49  H   UNK     0      -2.841  14.309   0.000  0.00  0.00           H+0
HETATM   50  H   UNK     0       1.405  10.521   0.000  0.00  0.00           H+0
HETATM   51  H   UNK     0      -3.665  11.772   0.000  0.00  0.00           H+0
CONECT    1    8                                                            
CONECT    2   37                                                            
CONECT    3    4   12                                                       
CONECT    4    3   28                                                       
CONECT    5   10   11                                                       
CONECT    6    8   41                                                       
CONECT    7    9   41                                                       
CONECT    8    1    6   25   42                                             
CONECT    9    7   19   26   43                                             
CONECT   10    5   13   29   44                                             
CONECT   11    5   20   38                                                  
CONECT   12    3   27   30                                                  
CONECT   13   10   22   31   45                                             
CONECT   14   15   21   32   46                                             
CONECT   15   14   16   37   47                                             
CONECT   16   15   17   39   48                                             
CONECT   17   16   18   40   49                                             
CONECT   18   17   24   33                                                  
CONECT   19    9   25   34                                                  
CONECT   20   11   26   35                                                  
CONECT   21   14   28   39   50                                             
CONECT   22   13   38   40   51                                             
CONECT   23   27   28   36                                                  
CONECT   24   18                                                            
CONECT   25    8   19                                                       
CONECT   26    9   20                                                       
CONECT   27   12   23                                                       
CONECT   28    4   21   23                                                  
CONECT   29   10                                                            
CONECT   30   12                                                            
CONECT   31   13                                                            
CONECT   32   14                                                            
CONECT   33   18                                                            
CONECT   34   19                                                            
CONECT   35   20                                                            
CONECT   36   23                                                            
CONECT   37    2   15                                                       
CONECT   38   11   22                                                       
CONECT   39   16   21                                                       
CONECT   40   17   22                                                       
CONECT   41    6    7                                                       
CONECT   42    8                                                            
CONECT   43    9                                                            
CONECT   44   10                                                            
CONECT   45   13                                                            
CONECT   46   14                                                            
CONECT   47   15                                                            
CONECT   48   16                                                            
CONECT   49   17                                                            
CONECT   50   21                                                            
CONECT   51   22                                                            
MASTER        0    0    0    0    0    0    0    0   51    0  108    0
END

Synonyms

Not Available

Molecular Formula

C₂₃H₃₁N₅O₁₂S

Average Mass

601.58

Monoisotopic Mass

601.168992632

IUPAC Name

(2R,3S,4R)-3,4-dihydroxy-N-[(3R,6S)-5-hydroxy-3-methyl-2,3,6,7-tetrahydro-1,4-thiazepin-6-yl]-2-[(S)-[(3S,4R,5R)-4-hydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)-3-methoxyoxolan-2-yl](C-hydroxycarbonimidoyl)methoxy]-3,4-dihydro-2H-pyran-6-carboximidic acid

Traditional Name

(4R,5S,6R)-4,5-dihydroxy-N-[(3R,6S)-5-hydroxy-3-methyl-2,3,6,7-tetrahydro-1,4-thiazepin-6-yl]-6-[(S)-[(3S,4R,5R)-4-hydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)-3-methoxyoxolan-2-yl](C-hydroxycarbonimidoyl)methoxy]-5,6-dihydro-4H-pyran-2-carboximidic acid

CAS Registry Number

Not Available

SMILES

[H][C@@](O[C@]1([H])OC(=C[C@@]([H])(O)[C@]1([H])O)C(O)=N[C@]1([H])CSC[C@@]([H])(C)N=C1O)(C(O)=N)C1([H])O[C@@]([H])(N2C=CC(O)=NC2=O)[C@]([H])(O)[C@]1([H])OC

InChI Identifier

InChI=1S/C23H31N5O12S/c1-8-6-41-7-9(19(34)25-8)26-20(35)11-5-10(29)13(31)22(38-11)40-17(18(24)33)16-15(37-2)14(32)21(39-16)28-4-3-12(30)27-23(28)36/h3-5,8-10,13-17,21-22,29,31-32H,6-7H2,1-2H3,(H2,24,33)(H,25,34)(H,26,35)(H,27,30,36)/t8-,9-,10-,13+,14-,15+,16?,17+,21-,22+/m1/s1

InChI Key

CZGXONQQLSSPKM-JQASJSGKSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

N-acyl-alpha amino acids and derivatives

Alternative Parents

Substituents

N-acyl-alpha amino acid or derivatives
Disaccharide
Glycosyl compound
N-glycosyl compound
Pyrimidone
Hydropyrimidine
Pyrimidine
Heteroaromatic compound
Vinylogous amide
Tetrahydrofuran
Carboxamide group
Lactam
Primary carboxylic acid amide
Urea
Secondary carboxylic acid amide
Secondary alcohol
Oxacycle
Dialkyl ether
Ether
Azacycle
Organoheterocyclic compound
Dialkylthioether
Thioether
Acetal
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organonitrogen compound
Organooxygen compound
Alcohol
Organic nitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.31 g/L	ALOGPS
logP	-0.6	ALOGPS
logP	-5.2	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	-3.8	ChemAxon
pKa (Strongest Basic)	11.77	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	259.77 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	148.96 m³·mol⁻¹	ChemAxon
Polarizability	56.88 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	456.4
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (void)	2025-10-23	178.2
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	204.6
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	335.5
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	314.2
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	183.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	1187.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	521.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	373.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	151.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	289.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	160.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	79.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	147.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	378.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	70.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	242.5
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	1123.4
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	699.7

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	A-500359 M2_TMS_1	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2473.93
Gas Chromatography	A-500359 M2_TMS_2	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1131.5
Gas Chromatography	A-500359 M2_TMS_3	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2692.43
Gas Chromatography	A-500359 M2_TMS_4	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2418.97
Gas Chromatography	A-500359 M2_TMS_5	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	3286.63
Gas Chromatography	A-500359 M2_TMS_6	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2408.62
Gas Chromatography	A-500359 M2_TMS_7	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2343.49
Gas Chromatography	A-500359 M2_TMS_8	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1544.79
Gas Chromatography	A-500359 M2_TMS_9	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1616.95
Gas Chromatography	A-500359 M2_TMS_10	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1392.05
Gas Chromatography	A-500359 M2_TMS_11	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1292.74
Gas Chromatography	A-500359 M2_TMS_12	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	3094.19
Gas Chromatography	A-500359 M2_TMS_13	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1273.77
Gas Chromatography	A-500359 M2_TMS_14	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	3504.68
Gas Chromatography	A-500359 M2_TMS_15	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2155.73
Gas Chromatography	A-500359 M2_TMS_16	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2330.08
Gas Chromatography	A-500359 M2_TMS_17	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2538.32
Gas Chromatography	A-500359 M2_TMS_18	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1125.49
Gas Chromatography	A-500359 M2_TMS_19	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2694.08
Gas Chromatography	A-500359 M2_TMS_20	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1114.36
Gas Chromatography	A-500359 M2_TMS_21	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1113.12
Gas Chromatography	A-500359 M2_TMS_22	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1460.52
Gas Chromatography	A-500359 M2_TMS_23	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1778.6
Gas Chromatography	A-500359 M2_TMS_24	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	901.656
Gas Chromatography	A-500359 M2_TMS_25	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1613.51
Gas Chromatography	A-500359 M2_TMS_26	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2456.01
Gas Chromatography	A-500359 M2_TMS_27	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2216.21
Gas Chromatography	A-500359 M2_TMS_28	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1443.26
Gas Chromatography	A-500359 M2_TMS_29	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1506.01
Gas Chromatography	A-500359 M2_TMS_30	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	958.65
Gas Chromatography	A-500359 M2_TMS_31	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1867.31
Gas Chromatography	A-500359 M2_TMS_32	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	871.256
Gas Chromatography	A-500359 M2_TMS_33	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1609.69
Gas Chromatography	A-500359 M2_TMS_34	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	3475.08
Gas Chromatography	A-500359 M2_TMS_35	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2515.02
Gas Chromatography	A-500359 M2_TMS_36	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1600.76
Gas Chromatography	A-500359 M2_TMS_37	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1293.57
Gas Chromatography	A-500359 M2_TMS_38	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2506.5
Gas Chromatography	A-500359 M2_TMS_39	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1510.73
Gas Chromatography	A-500359 M2_TMS_40	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1828.82
Gas Chromatography	A-500359 M2_TMS_41	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2459.86
Gas Chromatography	A-500359 M2_TMS_42	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	923.995
Gas Chromatography	A-500359 M2_TMS_43	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2089.64
Gas Chromatography	A-500359 M2_TMS_44	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1261.45
Gas Chromatography	A-500359 M2_TMS_45	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2600.5
Gas Chromatography	A-500359 M2_TMS_46	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2804.13
Gas Chromatography	A-500359 M2_TMS_47	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1807.86
Gas Chromatography	A-500359 M2_TMS_48	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2238.03
Gas Chromatography	A-500359 M2_TMS_49	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2338.05
Gas Chromatography	A-500359 M2_TMS_50	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1718.3
Gas Chromatography	A-500359 M2_TMS_51	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1118.83
Gas Chromatography	A-500359 M2_TMS_52	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1426.89
Gas Chromatography	A-500359 M2_TMS_53	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1645.63
Gas Chromatography	A-500359 M2_TMS_54	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2521.69
Gas Chromatography	A-500359 M2_TMS_55	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2540.74
Gas Chromatography	A-500359 M2_TMS_56	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1671.94
Gas Chromatography	A-500359 M2_TMS_57	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2500.64
Gas Chromatography	A-500359 M2_TMS_58	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1932.39
Gas Chromatography	A-500359 M2_TMS_59	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1291.89
Gas Chromatography	A-500359 M2_TMS_60	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1550.37
Gas Chromatography	A-500359 M2_TMS_61	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2349.07
Gas Chromatography	A-500359 M2_TMS_62	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2704.34
Gas Chromatography	A-500359 M2_TMS_63	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1430.71
Gas Chromatography	A-500359 M2_TMS_64	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2371.94
Gas Chromatography	A-500359 M2_TMS_65	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1433.39
Gas Chromatography	A-500359 M2_TMS_66	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2544.98
Gas Chromatography	A-500359 M2_TMS_67	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2343.07
Gas Chromatography	A-500359 M2_TMS_68	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1408.5
Gas Chromatography	A-500359 M2_TMS_69	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1917.75
Gas Chromatography	A-500359 M2_TMS_70	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2205.17
Gas Chromatography	A-500359 M2_TMS_71	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2320.61
Gas Chromatography	A-500359 M2_TMS_72	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	4061.81
Gas Chromatography	A-500359 M2_TMS_73	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2073.64
Gas Chromatography	A-500359 M2_TMS_74	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1825.48
Gas Chromatography	A-500359 M2_TMS_75	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2996.43
Gas Chromatography	A-500359 M2_TMS_76	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1633.96
Gas Chromatography	A-500359 M2_TMS_77	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2389.55
Gas Chromatography	A-500359 M2_TMS_78	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2583.38
Gas Chromatography	A-500359 M2_TMS_79	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1305.66
Gas Chromatography	A-500359 M2_TMS_80	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1711.24
Gas Chromatography	A-500359 M2_TMS_81	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	89.9437
Gas Chromatography	A-500359 M2_TMS_82	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1899.52
Gas Chromatography	A-500359 M2_TMS_83	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	3391.83
Gas Chromatography	A-500359 M2_TMS_84	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1448.96
Gas Chromatography	A-500359 M2_TMS_85	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2367.98
Gas Chromatography	A-500359 M2_TMS_86	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	3353.16
Gas Chromatography	A-500359 M2_TMS_87	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1612.98
Gas Chromatography	A-500359 M2_TMS_88	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1013.94
Gas Chromatography	A-500359 M2_TMS_89	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2170.9
Gas Chromatography	A-500359 M2_TMS_90	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1306.66
Gas Chromatography	A-500359 M2_TMS_91	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2442.33
Gas Chromatography	A-500359 M2_TMS_92	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2498.01
Gas Chromatography	A-500359 M2_TMS_93	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1081.82
Gas Chromatography	A-500359 M2_TMS_94	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1643.28
Gas Chromatography	A-500359 M2_TMS_95	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	261.751
Gas Chromatography	A-500359 M2_TMS_96	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1589.77
Gas Chromatography	A-500359 M2_TMS_97	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1950.91
Gas Chromatography	A-500359 M2_TMS_98	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2439.76
Gas Chromatography	A-500359 M2_TMS_99	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	3159.77
Gas Chromatography	A-500359 M2_TMS_100	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2322.6
Gas Chromatography	A-500359 M2_TMS_101	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1250.36
Gas Chromatography	A-500359 M2_TMS_102	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2447.52
Gas Chromatography	A-500359 M2_TMS_103	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2388.46
Gas Chromatography	A-500359 M2_TMS_104	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2320.31
Gas Chromatography	A-500359 M2_TMS_105	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1194.37
Gas Chromatography	A-500359 M2_TMS_106	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	3076.63
Gas Chromatography	A-500359 M2_TMS_107	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1886.75
Gas Chromatography	A-500359 M2_TMS_108	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	415.778
Gas Chromatography	A-500359 M2_TMS_109	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2305.88
Gas Chromatography	A-500359 M2_TMS_110	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1262.71
Gas Chromatography	A-500359 M2_TMS_111	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	3019.79
Gas Chromatography	A-500359 M2_TMS_112	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1426.36
Gas Chromatography	A-500359 M2_TMS_113	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	3112.75
Gas Chromatography	A-500359 M2_TMS_114	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2616.57
Gas Chromatography	A-500359 M2_TMS_115	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	359.748
Gas Chromatography	A-500359 M2_TMS_116	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	3551.1
Gas Chromatography	A-500359 M2_TMS_117	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2444.37
Gas Chromatography	A-500359 M2_TMS_118	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2273.45
Gas Chromatography	A-500359 M2_TMS_119	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	3094.53
Gas Chromatography	A-500359 M2_TMS_120	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	3153.46
Gas Chromatography	A-500359 M2_TMS_121	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1404.7
Gas Chromatography	A-500359 M2_TMS_122	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2493.66
Gas Chromatography	A-500359 M2_TMS_123	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	807.063
Gas Chromatography	A-500359 M2_TMS_124	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1730.07
Gas Chromatography	A-500359 M2_TMS_125	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1835.16
Gas Chromatography	A-500359 M2_TMS_126	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2275.97
Gas Chromatography	A-500359 M2_TMS_127	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2908.02
Gas Chromatography	A-500359 M2_TMS_128	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	3048.48
Gas Chromatography	A-500359 M2_TMS_129	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1680.71
Gas Chromatography	A-500359 M2_TMS_130	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2097.64
Gas Chromatography	A-500359 M2_TMS_131	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	3054.97
Gas Chromatography	A-500359 M2_TMS_132	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2580.48
Gas Chromatography	A-500359 M2_TMS_133	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	983.23
Gas Chromatography	A-500359 M2_TMS_134	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	4999.77
Gas Chromatography	A-500359 M2_TMS_135	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2061.32
Gas Chromatography	A-500359 M2_TMS_136	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	-668.419
Gas Chromatography	A-500359 M2_TMS_137	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	271.822
Gas Chromatography	A-500359 M2_TMS_138	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1523.48
Gas Chromatography	A-500359 M2_TMS_139	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	389.261
Gas Chromatography	A-500359 M2_TMS_140	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	3898.33
Gas Chromatography	A-500359 M2_TMS_141	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1924.89
Gas Chromatography	A-500359 M2_TMS_142	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1539.14
Gas Chromatography	A-500359 M2_TMS_143	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2709.82
Gas Chromatography	A-500359 M2_TMS_144	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	3083.23
Gas Chromatography	A-500359 M2_TMS_145	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1250.83
Gas Chromatography	A-500359 M2_TMS_146	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2813.89
Gas Chromatography	A-500359 M2_TMS_147	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1968.84
Gas Chromatography	A-500359 M2_TMS_148	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2173.42
Gas Chromatography	A-500359 M2_TMS_149	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2180.29
Gas Chromatography	A-500359 M2_TMS_150	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1527.72
Gas Chromatography	A-500359 M2_TMS_151	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	574.081
Gas Chromatography	A-500359 M2_TMS_152	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1652.08
Gas Chromatography	A-500359 M2_TMS_153	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1864.87
Gas Chromatography	A-500359 M2_TMS_154	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2567.17
Gas Chromatography	A-500359 M2_TMS_155	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1480.73
Gas Chromatography	A-500359 M2_TMS_156	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2270.7
Gas Chromatography	A-500359 M2_TMS_157	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	948.005
Gas Chromatography	A-500359 M2_TMS_158	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	3489.07
Gas Chromatography	A-500359 M2_TMS_159	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2241.95
Gas Chromatography	A-500359 M2_TMS_160	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2255.04
Gas Chromatography	A-500359 M2_TMS_161	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2923.06
Gas Chromatography	A-500359 M2_TMS_162	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1514.16
Gas Chromatography	A-500359 M2_TMS_1	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	3924.5
Gas Chromatography	A-500359 M2_TMS_2	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1894.32
Gas Chromatography	A-500359 M2_TMS_3	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2328.3
Gas Chromatography	A-500359 M2_TMS_4	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2925.32
Gas Chromatography	A-500359 M2_TMS_5	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1470.5
Gas Chromatography	A-500359 M2_TMS_6	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	92.8368
Gas Chromatography	A-500359 M2_TMS_7	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1736.44
Gas Chromatography	A-500359 M2_TMS_8	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2691.45
Gas Chromatography	A-500359 M2_TMS_9	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	966.694
Gas Chromatography	A-500359 M2_TMS_10	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1863.26
Gas Chromatography	A-500359 M2_TMS_11	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	3435.52
Gas Chromatography	A-500359 M2_TMS_12	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1725.86
Gas Chromatography	A-500359 M2_TMS_13	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	3093.56
Gas Chromatography	A-500359 M2_TMS_14	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2087.72
Gas Chromatography	A-500359 M2_TMS_15	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2412.07
Gas Chromatography	A-500359 M2_TMS_16	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1666.31
Gas Chromatography	A-500359 M2_TMS_17	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1774.19
Gas Chromatography	A-500359 M2_TMS_18	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	3028.24
Gas Chromatography	A-500359 M2_TMS_19	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2478.86
Gas Chromatography	A-500359 M2_TMS_20	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2246.24
Gas Chromatography	A-500359 M2_TMS_21	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	794.667
Gas Chromatography	A-500359 M2_TMS_22	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	3721.61
Gas Chromatography	A-500359 M2_TMS_23	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2171.99
Gas Chromatography	A-500359 M2_TMS_24	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1585.82
Gas Chromatography	A-500359 M2_TMS_25	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	752.092
Gas Chromatography	A-500359 M2_TMS_26	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1759.32
Gas Chromatography	A-500359 M2_TMS_27	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2102.8
Gas Chromatography	A-500359 M2_TMS_28	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1643.01
Gas Chromatography	A-500359 M2_TMS_29	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2305.9
Gas Chromatography	A-500359 M2_TMS_30	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2236.04
Gas Chromatography	A-500359 M2_TMS_31	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2422.65
Gas Chromatography	A-500359 M2_TMS_32	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	3909.5
Gas Chromatography	A-500359 M2_TMS_33	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2285.18
Gas Chromatography	A-500359 M2_TMS_34	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1544.28
Gas Chromatography	A-500359 M2_TMS_35	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1821.42
Gas Chromatography	A-500359 M2_TMS_36	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2018.02
Gas Chromatography	A-500359 M2_TMS_37	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	815.522
Gas Chromatography	A-500359 M2_TMS_38	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1922.1
Gas Chromatography	A-500359 M2_TMS_39	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2736.04
Gas Chromatography	A-500359 M2_TMS_40	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2552.93
Gas Chromatography	A-500359 M2_TMS_41	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2687.72
Gas Chromatography	A-500359 M2_TMS_42	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	985.019
Gas Chromatography	A-500359 M2_TMS_43	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1325.18
Gas Chromatography	A-500359 M2_TMS_44	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	3473.54
Gas Chromatography	A-500359 M2_TMS_45	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1766.33
Gas Chromatography	A-500359 M2_TMS_46	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1879.4
Gas Chromatography	A-500359 M2_TMS_47	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1543.4
Gas Chromatography	A-500359 M2_TMS_48	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	3363.6
Gas Chromatography	A-500359 M2_TMS_49	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	181.407
Gas Chromatography	A-500359 M2_TMS_50	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2686.24
Gas Chromatography	A-500359 M2_TMS_51	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1895.19
Gas Chromatography	A-500359 M2_TMS_52	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	3366.05
Gas Chromatography	A-500359 M2_TMS_53	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1599.3
Gas Chromatography	A-500359 M2_TMS_54	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2500.74
Gas Chromatography	A-500359 M2_TMS_55	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2352.0
Gas Chromatography	A-500359 M2_TMS_56	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1629.52
Gas Chromatography	A-500359 M2_TMS_57	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2300.71
Gas Chromatography	A-500359 M2_TMS_58	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2220.35
Gas Chromatography	A-500359 M2_TMS_59	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1496.47
Gas Chromatography	A-500359 M2_TMS_60	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2530.25
Gas Chromatography	A-500359 M2_TMS_61	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1294.8
Gas Chromatography	A-500359 M2_TMS_62	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	3021.16
Gas Chromatography	A-500359 M2_TMS_63	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	3200.91
Gas Chromatography	A-500359 M2_TMS_64	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1738.34
Gas Chromatography	A-500359 M2_TMS_65	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1907.69
Gas Chromatography	A-500359 M2_TMS_66	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1753.65
Gas Chromatography	A-500359 M2_TMS_67	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2060.41
Gas Chromatography	A-500359 M2_TMS_68	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1892.07
Gas Chromatography	A-500359 M2_TMS_69	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2401.34
Gas Chromatography	A-500359 M2_TMS_70	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	892.867
Gas Chromatography	A-500359 M2_TMS_71	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	3362.1
Gas Chromatography	A-500359 M2_TMS_72	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2106.93
Gas Chromatography	A-500359 M2_TMS_73	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	3398.24
Gas Chromatography	A-500359 M2_TMS_74	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	3706.12
Gas Chromatography	A-500359 M2_TMS_75	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1360.93
Gas Chromatography	A-500359 M2_TMS_76	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2164.99
Gas Chromatography	A-500359 M2_TMS_77	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2659.19
Gas Chromatography	A-500359 M2_TMS_78	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	3275.96
Gas Chromatography	A-500359 M2_TMS_79	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1606.31
Gas Chromatography	A-500359 M2_TMS_80	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1283.98
Gas Chromatography	A-500359 M2_TMS_81	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1507.11
Gas Chromatography	A-500359 M2_TMS_82	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	173.205
Gas Chromatography	A-500359 M2_TMS_83	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2876.05
Gas Chromatography	A-500359 M2_TMS_84	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	3022.12
Gas Chromatography	A-500359 M2_TMS_85	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1681.47
Gas Chromatography	A-500359 M2_TMS_86	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2294.53
Gas Chromatography	A-500359 M2_TMS_87	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1446.64
Gas Chromatography	A-500359 M2_TMS_88	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2908.88
Gas Chromatography	A-500359 M2_TMS_89	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1634.56
Gas Chromatography	A-500359 M2_TMS_90	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	3595.21
Gas Chromatography	A-500359 M2_TMS_91	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	3469.4
Gas Chromatography	A-500359 M2_TMS_92	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1315.01
Gas Chromatography	A-500359 M2_TMS_93	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	536.374
Gas Chromatography	A-500359 M2_TMS_94	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2158.92
Gas Chromatography	A-500359 M2_TMS_95	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1725.06
Gas Chromatography	A-500359 M2_TMS_96	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1784.7
Gas Chromatography	A-500359 M2_TMS_97	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	3234.53
Gas Chromatography	A-500359 M2_TMS_98	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1343.69
Gas Chromatography	A-500359 M2_TMS_99	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2550.22
Gas Chromatography	A-500359 M2_TMS_100	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1972.59
Gas Chromatography	A-500359 M2_TMS_101	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1969.79
Gas Chromatography	A-500359 M2_TMS_102	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2057.08
Gas Chromatography	A-500359 M2_TMS_103	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	3363.53
Gas Chromatography	A-500359 M2_TMS_104	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1724.1
Gas Chromatography	A-500359 M2_TMS_105	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	346.553
Gas Chromatography	A-500359 M2_TMS_106	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2873.74
Gas Chromatography	A-500359 M2_TMS_107	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	72.978
Gas Chromatography	A-500359 M2_TMS_108	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	3778.61
Gas Chromatography	A-500359 M2_TMS_109	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1179.26
Gas Chromatography	A-500359 M2_TMS_110	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1678.12
Gas Chromatography	A-500359 M2_TMS_111	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1370.06
Gas Chromatography	A-500359 M2_TMS_112	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	3664.86
Gas Chromatography	A-500359 M2_TMS_113	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2208.16
Gas Chromatography	A-500359 M2_TMS_114	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	3185.64
Gas Chromatography	A-500359 M2_TMS_115	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	3083.02
Gas Chromatography	A-500359 M2_TMS_116	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2867.76
Gas Chromatography	A-500359 M2_TMS_117	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	3223.67
Gas Chromatography	A-500359 M2_TMS_118	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2258.68
Gas Chromatography	A-500359 M2_TMS_119	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	289.424
Gas Chromatography	A-500359 M2_TMS_120	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	507.763
Gas Chromatography	A-500359 M2_TMS_121	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1092.4
Gas Chromatography	A-500359 M2_TMS_122	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2516.75
Gas Chromatography	A-500359 M2_TMS_123	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1376.65
Gas Chromatography	A-500359 M2_TMS_124	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1167.63
Gas Chromatography	A-500359 M2_TMS_125	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2465.81
Gas Chromatography	A-500359 M2_TMS_126	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	923.929
Gas Chromatography	A-500359 M2_TMS_127	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O[Si](C)(C)C)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1235.94
Gas Chromatography	A-500359 M2_TMS_128	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2888.43
Gas Chromatography	A-500359 M2_TMS_129	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1920.68
Gas Chromatography	A-500359 M2_TMS_130	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2092.04
Gas Chromatography	A-500359 M2_TMS_131	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1690.62
Gas Chromatography	A-500359 M2_TMS_132	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1863.97
Gas Chromatography	A-500359 M2_TMS_133	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	644.989
Gas Chromatography	A-500359 M2_TMS_134	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1647.93
Gas Chromatography	A-500359 M2_TMS_135	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2201.93
Gas Chromatography	A-500359 M2_TMS_136	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1554.29
Gas Chromatography	A-500359 M2_TMS_137	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1434.39
Gas Chromatography	A-500359 M2_TMS_138	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2711.32
Gas Chromatography	A-500359 M2_TMS_139	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2304.51
Gas Chromatography	A-500359 M2_TMS_140	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	336.469
Gas Chromatography	A-500359 M2_TMS_141	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2360.76
Gas Chromatography	A-500359 M2_TMS_142	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2411.99
Gas Chromatography	A-500359 M2_TMS_143	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1061.58
Gas Chromatography	A-500359 M2_TMS_144	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1333.29
Gas Chromatography	A-500359 M2_TMS_145	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	248.65
Gas Chromatography	A-500359 M2_TMS_146	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	990.947
Gas Chromatography	A-500359 M2_TMS_147	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O[Si](C)(C)C)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2625.39
Gas Chromatography	A-500359 M2_TMS_148	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1434.73
Gas Chromatography	A-500359 M2_TMS_149	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2581.98
Gas Chromatography	A-500359 M2_TMS_150	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2768.63
Gas Chromatography	A-500359 M2_TMS_151	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	926.036
Gas Chromatography	A-500359 M2_TMS_152	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	3526.32
Gas Chromatography	A-500359 M2_TMS_153	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1279.81
Gas Chromatography	A-500359 M2_TMS_154	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2631.9
Gas Chromatography	A-500359 M2_TMS_155	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	5141.83
Gas Chromatography	A-500359 M2_TMS_156	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1680.61
Gas Chromatography	A-500359 M2_TMS_157	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=N[C@@H]3CSC[C@@H](C)N=C3O)O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2872.34
Gas Chromatography	A-500359 M2_TMS_158	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2056.89
Gas Chromatography	A-500359 M2_TMS_159	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1782.29
Gas Chromatography	A-500359 M2_TMS_160	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	3123.2
Gas Chromatography	A-500359 M2_TMS_161	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O[Si](C)(C)C)=C[C@@H](O)[C@@H]2O)C(O)=N[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1708.8
Gas Chromatography	A-500359 M2_TMS_162	CO[C@@H]1C([C@H](O[C@@H]2OC(C(O)=N[C@@H]3CSC[C@@H](C)N=C3O)=C[C@@H](O)[C@@H]2O)C(=N[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(O[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1258.35

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		Metabolic reconstruction

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

78436413

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139583509

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

van Santen JA, Poynton EF, Iskakova D, McMann E, Alsup TA, Clark TN, Fergusson CH, Fewer DP, Hughes AH, McCadden CA, Parra J, Soldatou S, Rudolf JD, Janssen EM, Duncan KR, Linington RG: The Natural Products Atlas 2.0: a database of microbially-derived natural products. Nucleic Acids Res. 2022 Jan 7;50(D1):D1317-D1323. doi: 10.1093/nar/gkab941. [PubMed:34718710 ]

Showing metabocard for A-500359 M2 (MMDBc0002299)

MOL for #<Metabolite:0x00007f9acb46be60>

3D MOL for #<Metabolite:0x00007f9acb46be60>

3D SDF for #<Metabolite:0x00007f9acb46be60>

3D-SDF for #<Metabolite:0x00007f9acb46be60>

PDB for #<Metabolite:0x00007f9acb46be60>

3D PDB for #<Metabolite:0x00007f9acb46be60>

SMILES for #<Metabolite:0x00007f9acb46be60>

INCHI for #<Metabolite:0x00007f9acb46be60>

Structure for #<Metabolite:0x00007f9acb46be60>

3D Structure for #<Metabolite:0x00007f9acb46be60>