MiMeDB: Showing metabocard for A-500359 F (MMDBc0005828)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-14 23:16:46 UTC

Update Date

2025-10-07 16:05:04 UTC

Metabolite ID

MMDBc0005828

Metabolite Identification

Common Name

A-500359 F

Description

A-500359 F is a deaminocaprolactam derivative of capuramycin, classified within the chemical class of lactams. This metabolite was purified from culture filtrate, and its chemical structure was elucidated alongside related compounds such as A-500359 E, which is a methyl ester of A-500359 F, and A-500359 H, a 3'-demethyl derivative of A-500359 F. The study of A-500359 F contributes to the understanding of lactam derivatives and their potential biological activities, particularly in the context of antibiotic properties, as capuramycin itself is known for its antibacterial effects. The exploration of such metabolites is crucial for developing new therapeutic agents and understanding their mechanisms of action. The evidence supporting the characterization of A-500359 F and its related compounds is detailed in the literature (PMID:12760682 ).

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152101162D          

 40 42  0  0  1  0            999 V2000
    4.1801    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6685    1.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1836    1.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9534    3.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7818    2.7035    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3403    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0028    2.4486    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1331    3.0428    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4656    3.5277    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7982    3.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0136    3.2977    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8421    4.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8781    2.2581    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5118    4.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6159    3.0006    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0275    0.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0574    4.3596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5124    0.1696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3631    1.5907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3949    2.1515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8178   -0.4116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1743    1.6416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9177    3.2977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552    4.6567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1013    5.4215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2964    5.1244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2070    0.7508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    4.3527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4443    3.8076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0531    2.2581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4005    2.7457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103    1.8965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1687    3.2555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2621    3.8576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7306    3.9022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2148    2.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2290    3.5526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5036    1.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7874    2.1936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  9  1  0  0  0  0
 15  6  1  0  0  0  0
 16  8  1  0  0  0  0
 18 13  2  0  0  0  0
 19  7  2  0  0  0  0
 19 17  1  0  0  0  0
 20  3  1  0  0  0  0
 14 20  1  6  0  0  0
 20 17  1  0  0  0  0
  5 21  1  6  0  0  0
 22  7  1  0  0  0  0
  8 23  1  6  0  0  0
  9 24  1  1  0  0  0
 25 13  1  0  0  0  0
 26 15  2  0  0  0  0
 27 15  1  0  0  0  0
 28 17  2  0  0  0  0
 29  1  1  0  0  0  0
 10 29  1  1  0  0  0
 30  6  1  0  0  0  0
 30 16  1  0  0  0  0
 31 11  1  0  0  0  0
 31 14  1  0  0  0  0
 12 32  1  6  0  0  0
 16 32  1  1  0  0  0
  5 33  1  1  0  0  0
  8 34  1  6  0  0  0
  9 35  1  6  0  0  0
 10 36  1  6  0  0  0
 37 11  1  0  0  0  0
 12 38  1  1  0  0  0
 14 39  1  1  0  0  0
 16 40  1  6  0  0  0
M  END


  Mrv1652305152101162D          

 40 42  0  0  1  0            999 V2000
    4.1801    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6685    1.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1836    1.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9534    3.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7818    2.7035    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3403    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0028    2.4486    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1331    3.0428    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4656    3.5277    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7982    3.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0136    3.2977    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8421    4.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8781    2.2581    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5118    4.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6159    3.0006    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0275    0.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0574    4.3596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5124    0.1696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3631    1.5907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3949    2.1515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8178   -0.4116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1743    1.6416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9177    3.2977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552    4.6567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1013    5.4215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2964    5.1244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2070    0.7508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    4.3527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4443    3.8076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0531    2.2581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4005    2.7457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103    1.8965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1687    3.2555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2621    3.8576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7306    3.9022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2148    2.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2290    3.5526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5036    1.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7874    2.1936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  9  1  0  0  0  0
 15  6  1  0  0  0  0
 16  8  1  0  0  0  0
 18 13  2  0  0  0  0
 19  7  2  0  0  0  0
 19 17  1  0  0  0  0
 20  3  1  0  0  0  0
 14 20  1  6  0  0  0
 20 17  1  0  0  0  0
  5 21  1  6  0  0  0
 22  7  1  0  0  0  0
  8 23  1  6  0  0  0
  9 24  1  1  0  0  0
 25 13  1  0  0  0  0
 26 15  2  0  0  0  0
 27 15  1  0  0  0  0
 28 17  2  0  0  0  0
 29  1  1  0  0  0  0
 10 29  1  1  0  0  0
 30  6  1  0  0  0  0
 30 16  1  0  0  0  0
 31 11  1  0  0  0  0
 31 14  1  0  0  0  0
 12 32  1  6  0  0  0
 16 32  1  1  0  0  0
  5 33  1  1  0  0  0
  8 34  1  6  0  0  0
  9 35  1  6  0  0  0
 10 36  1  6  0  0  0
 37 11  1  0  0  0  0
 12 38  1  1  0  0  0
 14 39  1  1  0  0  0
 16 40  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0005828

> <DATABASE_NAME>
MIME

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

> <INCHI_IDENTIFIER>
InChI=1S/C17H21N3O12/c1-29-10-9(24)14(20-3-2-7(22)19-17(20)28)31-11(10)12(13(18)25)32-16-8(23)5(21)4-6(30-16)15(26)27/h2-5,8-12,14,16,21,23-24H,1H3,(H2,18,25)(H,26,27)(H,19,22,28)/t5-,8+,9-,10+,11?,12+,14-,16+/m1/s1

> <INCHI_KEY>
HSYSEXUSWSMTOS-WDFUBWJHSA-N

> <FORMULA>
C17H21N3O12

> <MOLECULAR_WEIGHT>
459.364

> <EXACT_MASS>
459.112523128

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
53

> <JCHEM_AVERAGE_POLARIZABILITY>
41.333137110097574

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4R)-3,4-dihydroxy-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-carboxylic acid

> <ALOGPS_LOGP>
-1.84

> <JCHEM_LOGP>
-5.058974140495035

> <ALOGPS_LOGS>
-2.36

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.0985913367802813

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.8139924768832723

> <JCHEM_PKA_STRONGEST_BASIC>
11.747973775485201

> <JCHEM_POLAR_SURFACE_AREA>
231.88999999999996

> <JCHEM_REFRACTIVITY>
108.86890000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.00e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4R,5S,6R)-4,5-dihydroxy-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-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-MAY-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-MAY-21         0                                  
HETATM    1  C   UNK     0       7.803   8.895   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.581   1.884   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.676   3.130   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.780   6.553   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.459   5.047   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.635   7.583   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.955   0.478   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.005   4.571   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.715   5.680   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.469   6.585   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.223   5.680   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.759   6.156   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.439   7.662   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.239   4.215   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.955   9.090   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.150   5.601   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.518   1.562   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       1.974   8.138   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0       8.423   0.317   0.000  0.00  0.00           N+0
HETATM   20  N   UNK     0       8.144   2.969   0.000  0.00  0.00           N+0
HETATM   21  O   UNK     0      -2.604   4.016   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      10.860  -0.768   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       0.325   3.064   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       9.180   6.156   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       4.583   8.693   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       0.189  10.120   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -2.420   9.566   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       5.986   1.401   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       6.469   8.125   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       0.829   7.107   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       5.699   4.215   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       2.614   5.125   0.000  0.00  0.00           O+0
HETATM   33  H   UNK     0      -1.139   3.540   0.000  0.00  0.00           H+0
HETATM   34  H   UNK     0      -0.315   6.077   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0       7.956   7.201   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0       5.097   7.284   0.000  0.00  0.00           H+0
HETATM   37  H   UNK     0       4.134   4.591   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0       2.294   6.632   0.000  0.00  0.00           H+0
HETATM   39  H   UNK     0       6.540   2.843   0.000  0.00  0.00           H+0
HETATM   40  H   UNK     0       1.470   4.095   0.000  0.00  0.00           H+0
CONECT    1   29                                                            
CONECT    2    3    7                                                       
CONECT    3    2   20                                                       
CONECT    4    5    6                                                       
CONECT    5    4    8   21   33                                             
CONECT    6    4   15   30                                                  
CONECT    7    2   19   22                                                  
CONECT    8    5   16   23   34                                             
CONECT    9   10   14   24   35                                             
CONECT   10    9   11   29   36                                             
CONECT   11   10   12   31   37                                             
CONECT   12   11   13   32   38                                             
CONECT   13   12   18   25                                                  
CONECT   14    9   20   31   39                                             
CONECT   15    6   26   27                                                  
CONECT   16    8   30   32   40                                             
CONECT   17   19   20   28                                                  
CONECT   18   13                                                            
CONECT   19    7   17                                                       
CONECT   20    3   14   17                                                  
CONECT   21    5                                                            
CONECT   22    7                                                            
CONECT   23    8                                                            
CONECT   24    9                                                            
CONECT   25   13                                                            
CONECT   26   15                                                            
CONECT   27   15                                                            
CONECT   28   17                                                            
CONECT   29    1   10                                                       
CONECT   30    6   16                                                       
CONECT   31   11   14                                                       
CONECT   32   12   16                                                       
CONECT   33    5                                                            
CONECT   34    8                                                            
CONECT   35    9                                                            
CONECT   36   10                                                            
CONECT   37   11                                                            
CONECT   38   12                                                            
CONECT   39   14                                                            
CONECT   40   16                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   84    0
END

Synonyms

Not Available

Molecular Formula

C₁₇H₂₁N₃O₁₂

Average Mass

459.364

Monoisotopic Mass

459.112523128

IUPAC Name

(2R,3S,4R)-3,4-dihydroxy-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-carboxylic acid

Traditional Name

(4R,5S,6R)-4,5-dihydroxy-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-carboxylic acid

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C17H21N3O12/c1-29-10-9(24)14(20-3-2-7(22)19-17(20)28)31-11(10)12(13(18)25)32-16-8(23)5(21)4-6(30-16)15(26)27/h2-5,8-12,14,16,21,23-24H,1H3,(H2,18,25)(H,26,27)(H,19,22,28)/t5-,8+,9-,10+,11?,12+,14-,16+/m1/s1

InChI Key

HSYSEXUSWSMTOS-WDFUBWJHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Glycosylamines

Alternative Parents

Substituents

Disaccharide
N-glycosyl compound
Pyrimidone
Hydropyrimidine
Pyrimidine
Heteroaromatic compound
Vinylogous amide
Tetrahydrofuran
Carboxamide group
Lactam
Primary carboxylic acid amide
Urea
Secondary alcohol
Acetal
Carboxylic acid derivative
Carboxylic acid
Dialkyl ether
Ether
Oxacycle
Monocarboxylic acid or derivatives
Azacycle
Organoheterocyclic compound
Organic nitrogen compound
Organic oxide
Hydrocarbon derivative
Alcohol
Organonitrogen compound
Carbonyl group
Organopnictogen 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	2 g/L	ALOGPS
logP	-1.8	ALOGPS
logP	-5.1	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	-3.8	ChemAxon
pKa (Strongest Basic)	11.75	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	231.89 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	108.87 m³·mol⁻¹	ChemAxon
Polarizability	41.33 Å³	ChemAxon
Number of Rings	3	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	505.7
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	227.2
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	96.8
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	289.4
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	304.3
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	214.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	802.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	803.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	545.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	151.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	292.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	170.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	52.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	294.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	501.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	62.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	252.1
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	975.5
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	627.9

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	A-500359 F_TMS_1	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1868.27
Gas Chromatography	A-500359 F_TMS_2	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2608.75
Gas Chromatography	A-500359 F_TMS_3	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2496.16
Gas Chromatography	A-500359 F_TMS_4	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1899.43
Gas Chromatography	A-500359 F_TMS_5	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1594.92
Gas Chromatography	A-500359 F_TMS_6	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2665.98
Gas Chromatography	A-500359 F_TMS_7	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1555.01
Gas Chromatography	A-500359 F_TMS_8	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2601.44
Gas Chromatography	A-500359 F_TMS_9	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	3178.53
Gas Chromatography	A-500359 F_TMS_10	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1761.33
Gas Chromatography	A-500359 F_TMS_11	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1615.61
Gas Chromatography	A-500359 F_TMS_12	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2213.75
Gas Chromatography	A-500359 F_TMS_13	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2229.22
Gas Chromatography	A-500359 F_TMS_14	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1761.89
Gas Chromatography	A-500359 F_TMS_15	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2550.03
Gas Chromatography	A-500359 F_TMS_16	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1427.56
Gas Chromatography	A-500359 F_TMS_17	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1570.08
Gas Chromatography	A-500359 F_TMS_18	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2461.1
Gas Chromatography	A-500359 F_TMS_19	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1360.26
Gas Chromatography	A-500359 F_TMS_20	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1618.6
Gas Chromatography	A-500359 F_TMS_21	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2632.74
Gas Chromatography	A-500359 F_TMS_22	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1230.37
Gas Chromatography	A-500359 F_TMS_23	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2774.14
Gas Chromatography	A-500359 F_TMS_24	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1141.69
Gas Chromatography	A-500359 F_TMS_25	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1714.55
Gas Chromatography	A-500359 F_TMS_26	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2032.42
Gas Chromatography	A-500359 F_TMS_27	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	3412.62
Gas Chromatography	A-500359 F_TMS_28	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1959.34
Gas Chromatography	A-500359 F_TMS_29	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2702.63
Gas Chromatography	A-500359 F_TMS_30	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1871.25
Gas Chromatography	A-500359 F_TMS_31	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	3142.25
Gas Chromatography	A-500359 F_TMS_32	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2426.0
Gas Chromatography	A-500359 F_TMS_33	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	798.289
Gas Chromatography	A-500359 F_TMS_34	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1222.18
Gas Chromatography	A-500359 F_TMS_35	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2368.36
Gas Chromatography	A-500359 F_TMS_36	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2756.88
Gas Chromatography	A-500359 F_TMS_37	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	632.315
Gas Chromatography	A-500359 F_TMS_38	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2932.93
Gas Chromatography	A-500359 F_TMS_39	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1602.78
Gas Chromatography	A-500359 F_TMS_40	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1583.4
Gas Chromatography	A-500359 F_TMS_41	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2656.68
Gas Chromatography	A-500359 F_TMS_42	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1706.99
Gas Chromatography	A-500359 F_TMS_43	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1710.51
Gas Chromatography	A-500359 F_TMS_44	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1103.81
Gas Chromatography	A-500359 F_TMS_45	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1402.01
Gas Chromatography	A-500359 F_TMS_46	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1678.24
Gas Chromatography	A-500359 F_TMS_47	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2163.85
Gas Chromatography	A-500359 F_TMS_48	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1462.2
Gas Chromatography	A-500359 F_TMS_49	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2085.8
Gas Chromatography	A-500359 F_TMS_50	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1823.05
Gas Chromatography	A-500359 F_TMS_51	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1391.99
Gas Chromatography	A-500359 F_TMS_52	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1413.37
Gas Chromatography	A-500359 F_TMS_53	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1429.49
Gas Chromatography	A-500359 F_TMS_54	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2300.78
Gas Chromatography	A-500359 F_TMS_55	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2475.12
Gas Chromatography	A-500359 F_TMS_56	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1387.76
Gas Chromatography	A-500359 F_TMS_57	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2684.24
Gas Chromatography	A-500359 F_TMS_58	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1634.18
Gas Chromatography	A-500359 F_TMS_59	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2275.12
Gas Chromatography	A-500359 F_TMS_60	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2043.59
Gas Chromatography	A-500359 F_TMS_61	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1937.58
Gas Chromatography	A-500359 F_TMS_62	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2204.26
Gas Chromatography	A-500359 F_TMS_63	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2136.57
Gas Chromatography	A-500359 F_TMS_64	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2029.89
Gas Chromatography	A-500359 F_TMS_65	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	601.578
Gas Chromatography	A-500359 F_TMS_66	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1722.31
Gas Chromatography	A-500359 F_TMS_67	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1950.26
Gas Chromatography	A-500359 F_TMS_68	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1738.28
Gas Chromatography	A-500359 F_TMS_69	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1494.32
Gas Chromatography	A-500359 F_TMS_70	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1936.12
Gas Chromatography	A-500359 F_TMS_71	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1778.33
Gas Chromatography	A-500359 F_TMS_72	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1848.57
Gas Chromatography	A-500359 F_TMS_73	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	751.927
Gas Chromatography	A-500359 F_TMS_74	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1028.7
Gas Chromatography	A-500359 F_TMS_75	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1551.39
Gas Chromatography	A-500359 F_TMS_76	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	3161.28
Gas Chromatography	A-500359 F_TMS_77	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2149.48
Gas Chromatography	A-500359 F_TMS_78	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2086.58
Gas Chromatography	A-500359 F_TMS_79	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2767.66
Gas Chromatography	A-500359 F_TMS_80	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1989.32
Gas Chromatography	A-500359 F_TMS_81	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2100.14
Gas Chromatography	A-500359 F_TMS_82	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1319.28
Gas Chromatography	A-500359 F_TMS_83	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1868.74
Gas Chromatography	A-500359 F_TMS_84	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	3008.68
Gas Chromatography	A-500359 F_TMS_85	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1760.53
Gas Chromatography	A-500359 F_TMS_86	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1521.75
Gas Chromatography	A-500359 F_TMS_87	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2218.79
Gas Chromatography	A-500359 F_TMS_88	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2651.38
Gas Chromatography	A-500359 F_TMS_89	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1952.6
Gas Chromatography	A-500359 F_TMS_90	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2208.46
Gas Chromatography	A-500359 F_TMS_91	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1230.71
Gas Chromatography	A-500359 F_TMS_92	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1913.33
Gas Chromatography	A-500359 F_TMS_93	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2601.5
Gas Chromatography	A-500359 F_TMS_94	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1871.5
Gas Chromatography	A-500359 F_TMS_95	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1005.49
Gas Chromatography	A-500359 F_TMS_96	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	3165.34
Gas Chromatography	A-500359 F_TMS_97	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	3100.87
Gas Chromatography	A-500359 F_TMS_98	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1592.87
Gas Chromatography	A-500359 F_TMS_99	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	1932.33
Gas Chromatography	A-500359 F_TMS_100	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C	standard non polar	2025-10-23	1383.11
Gas Chromatography	A-500359 F_TMS_101	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O[Si](C)(C)C)=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	2242.45
Gas Chromatography	A-500359 F_TMS_102	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C	standard non polar	2025-10-23	2536.49
Gas Chromatography	A-500359 F_TMS_103	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2313.75
Gas Chromatography	A-500359 F_TMS_104	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C	standard non polar	2025-10-23	1929.81
Gas Chromatography	A-500359 F_TMS_105	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C	standard non polar	2025-10-23	1861.05
Gas Chromatography	A-500359 F_TMS_106	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	3168.47
Gas Chromatography	A-500359 F_TMS_107	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C	standard non polar	2025-10-23	1667.82
Gas Chromatography	A-500359 F_TMS_108	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C	standard non polar	2025-10-23	2649.02
Gas Chromatography	A-500359 F_TMS_109	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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[Si](C)(C)C	standard non polar	2025-10-23	2169.25
Gas Chromatography	A-500359 F_TMS_110	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2371.28
Gas Chromatography	A-500359 F_TMS_111	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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[Si](C)(C)C	standard non polar	2025-10-23	2174.81
Gas Chromatography	A-500359 F_TMS_112	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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[Si](C)(C)C	standard non polar	2025-10-23	1144.52
Gas Chromatography	A-500359 F_TMS_113	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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[Si](C)(C)C	standard non polar	2025-10-23	2035.68
Gas Chromatography	A-500359 F_TMS_114	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C	standard non polar	2025-10-23	1863.46
Gas Chromatography	A-500359 F_TMS_115	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2692.04
Gas Chromatography	A-500359 F_TMS_116	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C	standard non polar	2025-10-23	867.289
Gas Chromatography	A-500359 F_TMS_117	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C	standard non polar	2025-10-23	2600.55
Gas Chromatography	A-500359 F_TMS_118	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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[Si](C)(C)C	standard non polar	2025-10-23	2490.56
Gas Chromatography	A-500359 F_TMS_119	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C	standard non polar	2025-10-23	2154.67
Gas Chromatography	A-500359 F_TMS_120	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2814.25
Gas Chromatography	A-500359 F_TMS_121	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O[Si](C)(C)C)=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[Si](C)(C)C)=NC2=O)[C@@H]1O	standard non polar	2025-10-23	2009.64
Gas Chromatography	A-500359 F_TMS_122	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O[Si](C)(C)C)=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[Si](C)(C)C	standard non polar	2025-10-23	2513.28
Gas Chromatography	A-500359 F_TMS_123	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2650.06
Gas Chromatography	A-500359 F_TMS_124	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	3147.03
Gas Chromatography	A-500359 F_TMS_125	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1194.07
Gas Chromatography	A-500359 F_TMS_126	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1461.18
Gas Chromatography	A-500359 F_TMS_1	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2390.75
Gas Chromatography	A-500359 F_TMS_2	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2162.91
Gas Chromatography	A-500359 F_TMS_3	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2242.17
Gas Chromatography	A-500359 F_TMS_4	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1711.75
Gas Chromatography	A-500359 F_TMS_5	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2142.16
Gas Chromatography	A-500359 F_TMS_6	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2301.91
Gas Chromatography	A-500359 F_TMS_7	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2050.11
Gas Chromatography	A-500359 F_TMS_8	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2246.02
Gas Chromatography	A-500359 F_TMS_9	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1887.62
Gas Chromatography	A-500359 F_TMS_10	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2567.19
Gas Chromatography	A-500359 F_TMS_11	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	3593.15
Gas Chromatography	A-500359 F_TMS_12	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2721.5
Gas Chromatography	A-500359 F_TMS_13	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2779.23
Gas Chromatography	A-500359 F_TMS_14	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2304.74
Gas Chromatography	A-500359 F_TMS_15	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1451.19
Gas Chromatography	A-500359 F_TMS_16	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2376.76
Gas Chromatography	A-500359 F_TMS_17	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2408.21
Gas Chromatography	A-500359 F_TMS_18	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	3244.65
Gas Chromatography	A-500359 F_TMS_19	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2343.93
Gas Chromatography	A-500359 F_TMS_20	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2179.12
Gas Chromatography	A-500359 F_TMS_21	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2892.17
Gas Chromatography	A-500359 F_TMS_22	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1253.68
Gas Chromatography	A-500359 F_TMS_23	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1641.19
Gas Chromatography	A-500359 F_TMS_24	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2032.92
Gas Chromatography	A-500359 F_TMS_25	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	613.818
Gas Chromatography	A-500359 F_TMS_26	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1979.28
Gas Chromatography	A-500359 F_TMS_27	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1651.29
Gas Chromatography	A-500359 F_TMS_28	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	3030.63
Gas Chromatography	A-500359 F_TMS_29	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1836.3
Gas Chromatography	A-500359 F_TMS_30	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2678.38
Gas Chromatography	A-500359 F_TMS_31	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1254.1
Gas Chromatography	A-500359 F_TMS_32	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2178.58
Gas Chromatography	A-500359 F_TMS_33	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2511.03
Gas Chromatography	A-500359 F_TMS_34	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1213.22
Gas Chromatography	A-500359 F_TMS_35	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2564.95
Gas Chromatography	A-500359 F_TMS_36	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2478.11
Gas Chromatography	A-500359 F_TMS_37	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2126.41
Gas Chromatography	A-500359 F_TMS_38	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2890.84
Gas Chromatography	A-500359 F_TMS_39	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1518.65
Gas Chromatography	A-500359 F_TMS_40	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1931.69
Gas Chromatography	A-500359 F_TMS_41	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1829.77
Gas Chromatography	A-500359 F_TMS_42	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2608.46
Gas Chromatography	A-500359 F_TMS_43	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2505.73
Gas Chromatography	A-500359 F_TMS_44	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1418.09
Gas Chromatography	A-500359 F_TMS_45	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	796.63
Gas Chromatography	A-500359 F_TMS_46	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2579.71
Gas Chromatography	A-500359 F_TMS_47	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2246.17
Gas Chromatography	A-500359 F_TMS_48	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	3011.79
Gas Chromatography	A-500359 F_TMS_49	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2121.02
Gas Chromatography	A-500359 F_TMS_50	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2190.88
Gas Chromatography	A-500359 F_TMS_51	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2257.55
Gas Chromatography	A-500359 F_TMS_52	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1577.87
Gas Chromatography	A-500359 F_TMS_53	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1450.95
Gas Chromatography	A-500359 F_TMS_54	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1544.9
Gas Chromatography	A-500359 F_TMS_55	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	3048.21
Gas Chromatography	A-500359 F_TMS_56	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	3078.31
Gas Chromatography	A-500359 F_TMS_57	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2101.25
Gas Chromatography	A-500359 F_TMS_58	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1930.11
Gas Chromatography	A-500359 F_TMS_59	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2112.19
Gas Chromatography	A-500359 F_TMS_60	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2307.79
Gas Chromatography	A-500359 F_TMS_61	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1355.5
Gas Chromatography	A-500359 F_TMS_62	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2686.11
Gas Chromatography	A-500359 F_TMS_63	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	3434.95
Gas Chromatography	A-500359 F_TMS_64	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1845.57
Gas Chromatography	A-500359 F_TMS_65	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1901.51
Gas Chromatography	A-500359 F_TMS_66	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1946.84
Gas Chromatography	A-500359 F_TMS_67	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2850.55
Gas Chromatography	A-500359 F_TMS_68	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	986.117
Gas Chromatography	A-500359 F_TMS_69	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	4151.54
Gas Chromatography	A-500359 F_TMS_70	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2008.85
Gas Chromatography	A-500359 F_TMS_71	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1551.12
Gas Chromatography	A-500359 F_TMS_72	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1933.24
Gas Chromatography	A-500359 F_TMS_73	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2125.35
Gas Chromatography	A-500359 F_TMS_74	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2091.57
Gas Chromatography	A-500359 F_TMS_75	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2897.53
Gas Chromatography	A-500359 F_TMS_76	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2625.71
Gas Chromatography	A-500359 F_TMS_77	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2746.57
Gas Chromatography	A-500359 F_TMS_78	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2649.98
Gas Chromatography	A-500359 F_TMS_79	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1684.88
Gas Chromatography	A-500359 F_TMS_80	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2726.01
Gas Chromatography	A-500359 F_TMS_81	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2254.55
Gas Chromatography	A-500359 F_TMS_82	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1432.69
Gas Chromatography	A-500359 F_TMS_83	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1290.64
Gas Chromatography	A-500359 F_TMS_84	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1836.67
Gas Chromatography	A-500359 F_TMS_85	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1907.1
Gas Chromatography	A-500359 F_TMS_86	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2152.52
Gas Chromatography	A-500359 F_TMS_87	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1768.89
Gas Chromatography	A-500359 F_TMS_88	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1466.74
Gas Chromatography	A-500359 F_TMS_89	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2080.21
Gas Chromatography	A-500359 F_TMS_90	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	2679.97
Gas Chromatography	A-500359 F_TMS_91	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1588.44
Gas Chromatography	A-500359 F_TMS_92	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	3308.06
Gas Chromatography	A-500359 F_TMS_93	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1840.43
Gas Chromatography	A-500359 F_TMS_94	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2960.9
Gas Chromatography	A-500359 F_TMS_95	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2198.9
Gas Chromatography	A-500359 F_TMS_96	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	2720.27
Gas Chromatography	A-500359 F_TMS_97	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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	1858.34
Gas Chromatography	A-500359 F_TMS_98	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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	1747.9
Gas Chromatography	A-500359 F_TMS_99	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	3136.1
Gas Chromatography	A-500359 F_TMS_100	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C	standard polar	2025-10-23	961.512
Gas Chromatography	A-500359 F_TMS_101	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O[Si](C)(C)C)=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	1299.72
Gas Chromatography	A-500359 F_TMS_102	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C	standard polar	2025-10-23	1969.19
Gas Chromatography	A-500359 F_TMS_103	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1125.82
Gas Chromatography	A-500359 F_TMS_104	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C	standard polar	2025-10-23	2425.29
Gas Chromatography	A-500359 F_TMS_105	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C	standard polar	2025-10-23	1866.96
Gas Chromatography	A-500359 F_TMS_106	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	863.633
Gas Chromatography	A-500359 F_TMS_107	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C	standard polar	2025-10-23	2297.42
Gas Chromatography	A-500359 F_TMS_108	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C	standard polar	2025-10-23	1246.54
Gas Chromatography	A-500359 F_TMS_109	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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[Si](C)(C)C	standard polar	2025-10-23	1789.22
Gas Chromatography	A-500359 F_TMS_110	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	2197.89
Gas Chromatography	A-500359 F_TMS_111	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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[Si](C)(C)C	standard polar	2025-10-23	2682.54
Gas Chromatography	A-500359 F_TMS_112	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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[Si](C)(C)C	standard polar	2025-10-23	1828.79
Gas Chromatography	A-500359 F_TMS_113	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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[Si](C)(C)C	standard polar	2025-10-23	1725.28
Gas Chromatography	A-500359 F_TMS_114	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C	standard polar	2025-10-23	3324.29
Gas Chromatography	A-500359 F_TMS_115	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	1736.16
Gas Chromatography	A-500359 F_TMS_116	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C	standard polar	2025-10-23	2745.29
Gas Chromatography	A-500359 F_TMS_117	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C	standard polar	2025-10-23	2017.01
Gas Chromatography	A-500359 F_TMS_118	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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[Si](C)(C)C	standard polar	2025-10-23	3674.47
Gas Chromatography	A-500359 F_TMS_119	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C	standard polar	2025-10-23	2498.82
Gas Chromatography	A-500359 F_TMS_120	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	741.534
Gas Chromatography	A-500359 F_TMS_121	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O[Si](C)(C)C)=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[Si](C)(C)C)=NC2=O)[C@@H]1O	standard polar	2025-10-23	3443.15
Gas Chromatography	A-500359 F_TMS_122	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O[Si](C)(C)C)=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[Si](C)(C)C	standard polar	2025-10-23	1407.54
Gas Chromatography	A-500359 F_TMS_123	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1413.63
Gas Chromatography	A-500359 F_TMS_124	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2888.55
Gas Chromatography	A-500359 F_TMS_125	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)O)=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[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	501.841
Gas Chromatography	A-500359 F_TMS_126	CO[C@@H]1C([C@H](O[C@@H]2OC(C(=O)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[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2362.16

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

78436863

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139584537

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 F (MMDBc0005828)

MOL for #<Metabolite:0x00007f9ab5454500>

3D MOL for #<Metabolite:0x00007f9ab5454500>

3D SDF for #<Metabolite:0x00007f9ab5454500>

3D-SDF for #<Metabolite:0x00007f9ab5454500>

PDB for #<Metabolite:0x00007f9ab5454500>

3D PDB for #<Metabolite:0x00007f9ab5454500>

SMILES for #<Metabolite:0x00007f9ab5454500>

INCHI for #<Metabolite:0x00007f9ab5454500>

Structure for #<Metabolite:0x00007f9ab5454500>

3D Structure for #<Metabolite:0x00007f9ab5454500>