MiMeDB: Showing metabocard for TMC-2B (MMDBc0003124)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-14 21:15:25 UTC

Update Date

2025-10-07 16:04:41 UTC

Metabolite ID

MMDBc0003124

Metabolite Identification

Common Name

TMC-2B

Description

TMC-2B is a metabolite belonging to the class of organic compounds. There is little literature available on this metabolite, indicating a gap in the current understanding of its properties and potential biological significance.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305142123152D          

 44 47  0  0  1  0            999 V2000
    0.5230   -6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0605    0.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2245   -6.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0091   -6.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6114   -6.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1807   -5.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855   -2.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855   -1.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7830   -3.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355   -2.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -1.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2980   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7830   -5.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230   -1.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0605   -3.9336    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5676   -5.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480   -4.6480    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9980   -3.2191    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9980   -0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355   -1.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230   -0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855   -3.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355   -3.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730   -3.2191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5676   -4.2355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -3.9336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230   -3.2191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -6.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855    0.3533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0605   -1.0757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -4.6480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230   -4.6480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480   -6.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    0.3533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480   -4.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730   -4.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4105   -3.9336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
 14  1  1  0  0  0  0
 14  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 15 10  2  0  0  0  0
 16  8  1  0  0  0  0
 16 11  2  0  0  0  0
 17  5  2  0  0  0  0
 17 16  1  0  0  0  0
 18 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19  8  1  0  0  0  0
 20  6  2  0  0  0  0
 20 17  1  0  0  0  0
 21  7  1  0  0  0  0
 22  9  1  0  0  0  0
 23 10  1  0  0  0  0
 24 18  2  0  0  0  0
 25 23  2  0  0  0  0
 25 24  1  0  0  0  0
 22 26  1  6  0  0  0
 27 19  1  0  0  0  0
 28 21  1  0  0  0  0
 19 29  1  6  0  0  0
 30 11  1  0  0  0  0
 30 20  1  0  0  0  0
 21 31  1  6  0  0  0
 31 26  2  0  0  0  0
 32 12  1  0  0  0  0
 32 22  1  0  0  0  0
 32 27  1  0  0  0  0
 33 13  1  0  0  0  0
 34 23  1  0  0  0  0
 35 24  1  0  0  0  0
 26 36  1  4  0  0  0
 37 27  2  0  0  0  0
 38 28  2  0  0  0  0
 39 28  1  0  0  0  0
 40  2  1  0  0  0  0
 40 25  1  0  0  0  0
 41 14  1  0  0  0  0
 19 42  1  6  0  0  0
 21 43  1  1  0  0  0
 22 44  1  1  0  0  0
M  END


  Mrv1652305142123152D          

 44 47  0  0  1  0            999 V2000
    0.5230   -6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0605    0.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2245   -6.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0091   -6.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6114   -6.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1807   -5.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855   -2.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855   -1.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7830   -3.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355   -2.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -1.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2980   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7830   -5.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230   -1.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0605   -3.9336    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5676   -5.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480   -4.6480    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9980   -3.2191    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9980   -0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355   -1.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230   -0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855   -3.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355   -3.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730   -3.2191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5676   -4.2355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -3.9336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230   -3.2191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -6.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855    0.3533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0605   -1.0757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -4.6480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230   -4.6480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480   -6.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    0.3533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480   -4.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730   -4.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4105   -3.9336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
 14  1  1  0  0  0  0
 14  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 15 10  2  0  0  0  0
 16  8  1  0  0  0  0
 16 11  2  0  0  0  0
 17  5  2  0  0  0  0
 17 16  1  0  0  0  0
 18 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19  8  1  0  0  0  0
 20  6  2  0  0  0  0
 20 17  1  0  0  0  0
 21  7  1  0  0  0  0
 22  9  1  0  0  0  0
 23 10  1  0  0  0  0
 24 18  2  0  0  0  0
 25 23  2  0  0  0  0
 25 24  1  0  0  0  0
 22 26  1  6  0  0  0
 27 19  1  0  0  0  0
 28 21  1  0  0  0  0
 19 29  1  6  0  0  0
 30 11  1  0  0  0  0
 30 20  1  0  0  0  0
 21 31  1  6  0  0  0
 31 26  2  0  0  0  0
 32 12  1  0  0  0  0
 32 22  1  0  0  0  0
 32 27  1  0  0  0  0
 33 13  1  0  0  0  0
 34 23  1  0  0  0  0
 35 24  1  0  0  0  0
 26 36  1  4  0  0  0
 37 27  2  0  0  0  0
 38 28  2  0  0  0  0
 39 28  1  0  0  0  0
 40  2  1  0  0  0  0
 40 25  1  0  0  0  0
 41 14  1  0  0  0  0
 19 42  1  6  0  0  0
 21 43  1  1  0  0  0
 22 44  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0003124

> <DATABASE_NAME>
MIME

> <SMILES>
[H]C(C)(CO)C[C@]([H])(N=C(O)[C@]1([H])CC2=CC(O)=C(OC)C(O)=C2CN1C(=O)[C@@]([H])(N)CC1=CNC2=CC=CC=C12)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C28H34N4O8/c1-14(13-33)7-21(28(38)39)31-26(36)22-9-15-10-23(34)25(40-2)24(35)18(15)12-32(22)27(37)19(29)8-16-11-30-20-6-4-3-5-17(16)20/h3-6,10-11,14,19,21-22,30,33-35H,7-9,12-13,29H2,1-2H3,(H,31,36)(H,38,39)/t14?,19-,21-,22-/m0/s1

> <INCHI_KEY>
WVYIXBYYAHYOIW-KQNCPTOESA-N

> <FORMULA>
C28H34N4O8

> <MOLECULAR_WEIGHT>
554.6

> <EXACT_MASS>
554.237664071

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
56.49022770944132

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-({[(3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl](hydroxy)methylidene}amino)-5-hydroxy-4-methylpentanoic acid

> <ALOGPS_LOGP>
-0.31

> <JCHEM_LOGP>
-0.7730734400281587

> <ALOGPS_LOGS>
-3.81

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
4.340182874144016

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.0930100250618344

> <JCHEM_PKA_STRONGEST_BASIC>
7.940154952798964

> <JCHEM_POLAR_SURFACE_AREA>
201.92999999999998

> <JCHEM_REFRACTIVITY>
145.33990000000009

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.51e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-({[(3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-3-yl](hydroxy)methylidene}amino)-5-hydroxy-4-methylpentanoic 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       0.976 -11.344   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.446   0.659   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.486 -12.459   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      14.950 -11.983   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.341 -11.429   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      15.271 -10.477   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.976  -8.676   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.216  -8.676   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.826  -4.675   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.826  -2.008   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.662  -7.430   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.906  -4.675   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.206 -10.010   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.596  -3.342   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      11.756  -8.676   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      12.662  -9.922   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.136  -3.342   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.446  -7.343   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      14.126  -9.446   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.516  -8.676   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.596  -6.009   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.596  -0.674   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.906  -2.008   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.136  -0.674   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.826  -7.343   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.906  -7.343   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.286 -10.010   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0      10.216  -6.009   0.000  0.00  0.00           N+0
HETATM   30  N   UNK     0      14.126  -7.906   0.000  0.00  0.00           N+0
HETATM   31  N   UNK     0       3.286  -7.343   0.000  0.00  0.00           N+0
HETATM   32  N   UNK     0       7.136  -6.009   0.000  0.00  0.00           N+0
HETATM   33  O   UNK     0      -2.104 -11.344   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       4.826   0.659   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       9.446  -2.008   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       5.596  -8.676   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       7.136  -8.676   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       4.826 -10.010   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       2.516 -11.344   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       7.906   0.659   0.000  0.00  0.00           O+0
HETATM   41  H   UNK     0       1.746 -10.010   0.000  0.00  0.00           H+0
HETATM   42  H   UNK     0       8.676  -8.676   0.000  0.00  0.00           H+0
HETATM   43  H   UNK     0       4.056  -8.676   0.000  0.00  0.00           H+0
HETATM   44  H   UNK     0       6.366  -7.343   0.000  0.00  0.00           H+0
CONECT    1   14                                                            
CONECT    2   40                                                            
CONECT    3    4    5                                                       
CONECT    4    3    6                                                       
CONECT    5    3   17                                                       
CONECT    6    4   20                                                       
CONECT    7   14   21                                                       
CONECT    8   16   19                                                       
CONECT    9   15   22                                                       
CONECT   10   15   23                                                       
CONECT   11   16   30                                                       
CONECT   12   18   32                                                       
CONECT   13   14   33                                                       
CONECT   14    1    7   13   41                                             
CONECT   15    9   10   18                                                  
CONECT   16    8   11   17                                                  
CONECT   17    5   16   20                                                  
CONECT   18   12   15   24                                                  
CONECT   19    8   27   29   42                                             
CONECT   20    6   17   30                                                  
CONECT   21    7   28   31   43                                             
CONECT   22    9   26   32   44                                             
CONECT   23   10   25   34                                                  
CONECT   24   18   25   35                                                  
CONECT   25   23   24   40                                                  
CONECT   26   22   31   36                                                  
CONECT   27   19   32   37                                                  
CONECT   28   21   38   39                                                  
CONECT   29   19                                                            
CONECT   30   11   20                                                       
CONECT   31   21   26                                                       
CONECT   32   12   22   27                                                  
CONECT   33   13                                                            
CONECT   34   23                                                            
CONECT   35   24                                                            
CONECT   36   26                                                            
CONECT   37   27                                                            
CONECT   38   28                                                            
CONECT   39   28                                                            
CONECT   40    2   25                                                       
CONECT   41   14                                                            
CONECT   42   19                                                            
CONECT   43   21                                                            
CONECT   44   22                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   94    0
END

Synonyms

Value	Source
TMC 2b	MeSH

Molecular Formula

C₂₈H₃₄N₄O₈

Average Mass

554.6

Monoisotopic Mass

554.237664071

IUPAC Name

(2S)-2-({[(3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl](hydroxy)methylidene}amino)-5-hydroxy-4-methylpentanoic acid

Traditional Name

(2S)-2-({[(3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-3-yl](hydroxy)methylidene}amino)-5-hydroxy-4-methylpentanoic acid

CAS Registry Number

Not Available

SMILES

[H]C(C)(CO)C[C@]([H])(N=C(O)[C@]1([H])CC2=CC(O)=C(OC)C(O)=C2CN1C(=O)[C@@]([H])(N)CC1=CNC2=CC=CC=C12)C(O)=O

InChI Identifier

InChI=1S/C28H34N4O8/c1-14(13-33)7-21(28(38)39)31-26(36)22-9-15-10-23(34)25(40-2)24(35)18(15)12-32(22)27(37)19(29)8-16-11-30-20-6-4-3-5-17(16)20/h3-6,10-11,14,19,21-22,30,33-35H,7-9,12-13,29H2,1-2H3,(H,31,36)(H,38,39)/t14?,19-,21-,22-/m0/s1

InChI Key

WVYIXBYYAHYOIW-KQNCPTOESA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
N-acyl-l-alpha-amino acid
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Triptan
Alpha-amino acid amide
Tetrahydroisoquinoline
3-alkylindole
Alpha-amino acid or derivatives
Indole
Indole or derivatives
Phenol ether
Anisole
Aralkylamine
Phenol
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Substituted pyrrole
Heteroaromatic compound
Tertiary carboxylic acid amide
Pyrrole
Carboxamide group
Amino acid or derivatives
Secondary carboxylic acid amide
Amino acid
Azacycle
Organoheterocyclic compound
Carboxylic acid
Ether
Monocarboxylic acid or derivatives
Primary amine
Organic oxide
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Alcohol
Hydrocarbon derivative
Primary alcohol
Primary aliphatic amine
Amine
Organooxygen compound
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.085 g/L	ALOGPS
logP	-0.31	ALOGPS
logP	-0.77	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	3.09	ChemAxon
pKa (Strongest Basic)	7.94	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	201.93 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	145.34 m³·mol⁻¹	ChemAxon
Polarizability	56.49 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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_4_1) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	Not Available	2022-08-10	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-21	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	421.6
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	236.4
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	385.3
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	345.5
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	337.5
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	166.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	1271.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	643.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	237.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	144.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	458.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	160.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	134.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	296.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	297.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	94.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	279.0
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	987.8
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	717.2

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	TMC-2B_TMS_1	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	2017.0
Gas Chromatography	TMC-2B_TMS_2	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	1926.61
Gas Chromatography	TMC-2B_TMS_3	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	2641.58
Gas Chromatography	TMC-2B_TMS_4	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1664.76
Gas Chromatography	TMC-2B_TMS_5	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	2222.92
Gas Chromatography	TMC-2B_TMS_6	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	1763.14
Gas Chromatography	TMC-2B_TMS_7	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	2082.86
Gas Chromatography	TMC-2B_TMS_8	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	2132.99
Gas Chromatography	TMC-2B_TMS_9	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1080.18
Gas Chromatography	TMC-2B_TMS_10	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	1472.8
Gas Chromatography	TMC-2B_TMS_11	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	2486.71
Gas Chromatography	TMC-2B_TMS_12	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	1562.09
Gas Chromatography	TMC-2B_TMS_13	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	2073.83
Gas Chromatography	TMC-2B_TMS_14	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	2368.54
Gas Chromatography	TMC-2B_TMS_15	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1204.02
Gas Chromatography	TMC-2B_TMS_16	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	1443.4
Gas Chromatography	TMC-2B_TMS_17	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	2588.62
Gas Chromatography	TMC-2B_TMS_18	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	831.871
Gas Chromatography	TMC-2B_TMS_19	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2743.24
Gas Chromatography	TMC-2B_TMS_20	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	2182.22
Gas Chromatography	TMC-2B_TMS_21	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	2092.92
Gas Chromatography	TMC-2B_TMS_22	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	1246.32
Gas Chromatography	TMC-2B_TMS_23	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2028.8
Gas Chromatography	TMC-2B_TMS_24	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1381.97
Gas Chromatography	TMC-2B_TMS_25	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1607.19
Gas Chromatography	TMC-2B_TMS_26	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	2524.57
Gas Chromatography	TMC-2B_TMS_27	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	2439.08
Gas Chromatography	TMC-2B_TMS_28	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	921.43
Gas Chromatography	TMC-2B_TMS_29	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	1550.5
Gas Chromatography	TMC-2B_TMS_30	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1658.48
Gas Chromatography	TMC-2B_TMS_31	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	1800.86
Gas Chromatography	TMC-2B_TMS_32	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	1529.31
Gas Chromatography	TMC-2B_TMS_33	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	2442.25
Gas Chromatography	TMC-2B_TMS_34	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	2128.22
Gas Chromatography	TMC-2B_TMS_35	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2621.77
Gas Chromatography	TMC-2B_TMS_36	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2088.81
Gas Chromatography	TMC-2B_TMS_37	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	782.056
Gas Chromatography	TMC-2B_TMS_38	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2721.58
Gas Chromatography	TMC-2B_TMS_39	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	866.923
Gas Chromatography	TMC-2B_TMS_40	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	1191.69
Gas Chromatography	TMC-2B_TMS_41	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	363.817
Gas Chromatography	TMC-2B_TMS_42	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	741.618
Gas Chromatography	TMC-2B_TMS_43	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	235.956
Gas Chromatography	TMC-2B_TMS_44	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	833.747
Gas Chromatography	TMC-2B_TMS_45	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	1365.06
Gas Chromatography	TMC-2B_TMS_46	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1714.27
Gas Chromatography	TMC-2B_TMS_47	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	1418.89
Gas Chromatography	TMC-2B_TMS_48	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	2212.07
Gas Chromatography	TMC-2B_TMS_49	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	1448.32
Gas Chromatography	TMC-2B_TMS_50	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1668.74
Gas Chromatography	TMC-2B_TMS_51	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1662.32
Gas Chromatography	TMC-2B_TMS_52	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1775.72
Gas Chromatography	TMC-2B_TMS_53	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	1008.35
Gas Chromatography	TMC-2B_TMS_54	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	2156.65
Gas Chromatography	TMC-2B_TMS_55	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	2997.17
Gas Chromatography	TMC-2B_TMS_56	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	2187.29
Gas Chromatography	TMC-2B_TMS_57	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1851.11
Gas Chromatography	TMC-2B_TMS_58	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	3026.71
Gas Chromatography	TMC-2B_TMS_59	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	998.557
Gas Chromatography	TMC-2B_TMS_60	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	3392.27
Gas Chromatography	TMC-2B_TMS_61	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	1904.52
Gas Chromatography	TMC-2B_TMS_62	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	3255.09
Gas Chromatography	TMC-2B_TMS_63	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	2744.41
Gas Chromatography	TMC-2B_TMS_64	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2561.12
Gas Chromatography	TMC-2B_TMS_65	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2830.86
Gas Chromatography	TMC-2B_TMS_66	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2232.63
Gas Chromatography	TMC-2B_TMS_67	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1052.99
Gas Chromatography	TMC-2B_TMS_68	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	2607.92
Gas Chromatography	TMC-2B_TMS_69	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	3254.35
Gas Chromatography	TMC-2B_TMS_70	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	3653.36
Gas Chromatography	TMC-2B_TMS_71	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2216.32
Gas Chromatography	TMC-2B_TMS_72	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2940.71
Gas Chromatography	TMC-2B_TMS_73	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1643.21
Gas Chromatography	TMC-2B_TMS_74	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	653.819
Gas Chromatography	TMC-2B_TMS_75	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	1386.98
Gas Chromatography	TMC-2B_TMS_76	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	1557.95
Gas Chromatography	TMC-2B_TMS_77	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	1298.36
Gas Chromatography	TMC-2B_TMS_78	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	3387.58
Gas Chromatography	TMC-2B_TMS_79	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	2053.31
Gas Chromatography	TMC-2B_TMS_80	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	2438.3
Gas Chromatography	TMC-2B_TMS_81	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	877.046
Gas Chromatography	TMC-2B_TMS_82	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2163.2
Gas Chromatography	TMC-2B_TMS_83	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	3209.18
Gas Chromatography	TMC-2B_TMS_84	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2427.1
Gas Chromatography	TMC-2B_TMS_85	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1433.7
Gas Chromatography	TMC-2B_TMS_86	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2061.28
Gas Chromatography	TMC-2B_TMS_87	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	3452.41
Gas Chromatography	TMC-2B_TMS_88	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2777.44
Gas Chromatography	TMC-2B_TMS_89	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	2208.51
Gas Chromatography	TMC-2B_TMS_90	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	3391.33
Gas Chromatography	TMC-2B_TMS_91	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	2957.12
Gas Chromatography	TMC-2B_TMS_92	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	2023.72
Gas Chromatography	TMC-2B_TMS_93	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	906.054
Gas Chromatography	TMC-2B_TMS_94	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	1402.03
Gas Chromatography	TMC-2B_TMS_95	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	1108.22
Gas Chromatography	TMC-2B_TMS_96	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1237.6
Gas Chromatography	TMC-2B_TMS_97	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2324.02
Gas Chromatography	TMC-2B_TMS_98	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	3650.36
Gas Chromatography	TMC-2B_TMS_99	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	2283.9
Gas Chromatography	TMC-2B_TMS_100	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard non polar	2025-10-23	1627.02
Gas Chromatography	TMC-2B_TMS_101	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	1188.24
Gas Chromatography	TMC-2B_TMS_102	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	1867.52
Gas Chromatography	TMC-2B_TMS_103	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	3795.67
Gas Chromatography	TMC-2B_TMS_104	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2053.74
Gas Chromatography	TMC-2B_TMS_105	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2293.2
Gas Chromatography	TMC-2B_TMS_106	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1975.0
Gas Chromatography	TMC-2B_TMS_107	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	1938.13
Gas Chromatography	TMC-2B_TMS_108	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	3000.04
Gas Chromatography	TMC-2B_TMS_109	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	1229.52
Gas Chromatography	TMC-2B_TMS_110	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2411.36
Gas Chromatography	TMC-2B_TMS_111	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1083.94
Gas Chromatography	TMC-2B_TMS_112	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1532.21
Gas Chromatography	TMC-2B_TMS_113	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1983.37
Gas Chromatography	TMC-2B_TMS_114	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	2316.0
Gas Chromatography	TMC-2B_TMS_115	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	3028.56
Gas Chromatography	TMC-2B_TMS_116	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	604.815
Gas Chromatography	TMC-2B_TMS_117	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1126.74
Gas Chromatography	TMC-2B_TMS_118	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1951.51
Gas Chromatography	TMC-2B_TMS_119	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1951.1
Gas Chromatography	TMC-2B_TMS_120	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard non polar	2025-10-23	3064.18
Gas Chromatography	TMC-2B_TMS_1	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	2602.49
Gas Chromatography	TMC-2B_TMS_2	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	1885.43
Gas Chromatography	TMC-2B_TMS_3	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	1103.9
Gas Chromatography	TMC-2B_TMS_4	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	1094.58
Gas Chromatography	TMC-2B_TMS_5	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	2687.65
Gas Chromatography	TMC-2B_TMS_6	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	2517.74
Gas Chromatography	TMC-2B_TMS_7	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	3600.55
Gas Chromatography	TMC-2B_TMS_8	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	1642.84
Gas Chromatography	TMC-2B_TMS_9	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	625.934
Gas Chromatography	TMC-2B_TMS_10	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	1746.38
Gas Chromatography	TMC-2B_TMS_11	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	1426.07
Gas Chromatography	TMC-2B_TMS_12	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	1103.09
Gas Chromatography	TMC-2B_TMS_13	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	2434.89
Gas Chromatography	TMC-2B_TMS_14	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	2208.6
Gas Chromatography	TMC-2B_TMS_15	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	1244.63
Gas Chromatography	TMC-2B_TMS_16	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	2661.95
Gas Chromatography	TMC-2B_TMS_17	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	2529.76
Gas Chromatography	TMC-2B_TMS_18	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	1363.9
Gas Chromatography	TMC-2B_TMS_19	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	1420.14
Gas Chromatography	TMC-2B_TMS_20	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	1884.59
Gas Chromatography	TMC-2B_TMS_21	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	1122.17
Gas Chromatography	TMC-2B_TMS_22	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	1936.26
Gas Chromatography	TMC-2B_TMS_23	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	3459.36
Gas Chromatography	TMC-2B_TMS_24	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	285.38
Gas Chromatography	TMC-2B_TMS_25	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	1113.97
Gas Chromatography	TMC-2B_TMS_26	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	3704.36
Gas Chromatography	TMC-2B_TMS_27	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	2240.2
Gas Chromatography	TMC-2B_TMS_28	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	3005.28
Gas Chromatography	TMC-2B_TMS_29	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	1796.73
Gas Chromatography	TMC-2B_TMS_30	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	2200.3
Gas Chromatography	TMC-2B_TMS_31	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	2363.47
Gas Chromatography	TMC-2B_TMS_32	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	2148.65
Gas Chromatography	TMC-2B_TMS_33	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	3180.18
Gas Chromatography	TMC-2B_TMS_34	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	2530.25
Gas Chromatography	TMC-2B_TMS_35	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	1318.42
Gas Chromatography	TMC-2B_TMS_36	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	2088.62
Gas Chromatography	TMC-2B_TMS_37	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	2450.47
Gas Chromatography	TMC-2B_TMS_38	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	2366.1
Gas Chromatography	TMC-2B_TMS_39	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	-167.922
Gas Chromatography	TMC-2B_TMS_40	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	1546.92
Gas Chromatography	TMC-2B_TMS_41	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	745.061
Gas Chromatography	TMC-2B_TMS_42	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	3181.97
Gas Chromatography	TMC-2B_TMS_43	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	3550.72
Gas Chromatography	TMC-2B_TMS_44	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	2284.69
Gas Chromatography	TMC-2B_TMS_45	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	2833.45
Gas Chromatography	TMC-2B_TMS_46	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	2009.83
Gas Chromatography	TMC-2B_TMS_47	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	2160.08
Gas Chromatography	TMC-2B_TMS_48	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	1912.95
Gas Chromatography	TMC-2B_TMS_49	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	1530.51
Gas Chromatography	TMC-2B_TMS_50	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	2552.41
Gas Chromatography	TMC-2B_TMS_51	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	1896.99
Gas Chromatography	TMC-2B_TMS_52	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	1154.42
Gas Chromatography	TMC-2B_TMS_53	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	1769.18
Gas Chromatography	TMC-2B_TMS_54	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	2098.49
Gas Chromatography	TMC-2B_TMS_55	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	1228.85
Gas Chromatography	TMC-2B_TMS_56	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	3379.29
Gas Chromatography	TMC-2B_TMS_57	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	2295.19
Gas Chromatography	TMC-2B_TMS_58	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	2538.75
Gas Chromatography	TMC-2B_TMS_59	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	2318.75
Gas Chromatography	TMC-2B_TMS_60	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	1715.08
Gas Chromatography	TMC-2B_TMS_61	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	2356.64
Gas Chromatography	TMC-2B_TMS_62	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	1624.04
Gas Chromatography	TMC-2B_TMS_63	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	1597.92
Gas Chromatography	TMC-2B_TMS_64	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	1892.88
Gas Chromatography	TMC-2B_TMS_65	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	1496.31
Gas Chromatography	TMC-2B_TMS_66	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	1390.44
Gas Chromatography	TMC-2B_TMS_67	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	1277.12
Gas Chromatography	TMC-2B_TMS_68	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	2089.44
Gas Chromatography	TMC-2B_TMS_69	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	1347.14
Gas Chromatography	TMC-2B_TMS_70	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	2033.95
Gas Chromatography	TMC-2B_TMS_71	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	2801.11
Gas Chromatography	TMC-2B_TMS_72	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	-156.029
Gas Chromatography	TMC-2B_TMS_73	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	931.192
Gas Chromatography	TMC-2B_TMS_74	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	1498.07
Gas Chromatography	TMC-2B_TMS_75	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	1103.27
Gas Chromatography	TMC-2B_TMS_76	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	1902.95
Gas Chromatography	TMC-2B_TMS_77	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	1902.12
Gas Chromatography	TMC-2B_TMS_78	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	103.627
Gas Chromatography	TMC-2B_TMS_79	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	1086.34
Gas Chromatography	TMC-2B_TMS_80	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	2508.56
Gas Chromatography	TMC-2B_TMS_81	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	1552.79
Gas Chromatography	TMC-2B_TMS_82	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	2658.04
Gas Chromatography	TMC-2B_TMS_83	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	3317.88
Gas Chromatography	TMC-2B_TMS_84	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	1277.05
Gas Chromatography	TMC-2B_TMS_85	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	2064.27
Gas Chromatography	TMC-2B_TMS_86	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	2695.74
Gas Chromatography	TMC-2B_TMS_87	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	2261.47
Gas Chromatography	TMC-2B_TMS_88	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	2655.64
Gas Chromatography	TMC-2B_TMS_89	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	2050.93
Gas Chromatography	TMC-2B_TMS_90	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	-0.574338
Gas Chromatography	TMC-2B_TMS_91	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	1554.71
Gas Chromatography	TMC-2B_TMS_92	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	877.457
Gas Chromatography	TMC-2B_TMS_93	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	1957.37
Gas Chromatography	TMC-2B_TMS_94	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	3679.39
Gas Chromatography	TMC-2B_TMS_95	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO[Si](C)(C)C)C(=O)O)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	2254.5
Gas Chromatography	TMC-2B_TMS_96	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=C[NH]C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	1679.71
Gas Chromatography	TMC-2B_TMS_97	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	2284.81
Gas Chromatography	TMC-2B_TMS_98	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	1100.09
Gas Chromatography	TMC-2B_TMS_99	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	2129.16
Gas Chromatography	TMC-2B_TMS_100	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O	standard polar	2025-10-23	1317.55
Gas Chromatography	TMC-2B_TMS_101	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	1611.31
Gas Chromatography	TMC-2B_TMS_102	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	1732.02
Gas Chromatography	TMC-2B_TMS_103	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	1592.85
Gas Chromatography	TMC-2B_TMS_104	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	2734.35
Gas Chromatography	TMC-2B_TMS_105	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	1840.2
Gas Chromatography	TMC-2B_TMS_106	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	1657.24
Gas Chromatography	TMC-2B_TMS_107	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	1564.67
Gas Chromatography	TMC-2B_TMS_108	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	2621.72
Gas Chromatography	TMC-2B_TMS_109	COC1=C(O)C=C2C[C@@H](C(=N[C@@H](CC(C)CO)C(=O)O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	1777.04
Gas Chromatography	TMC-2B_TMS_110	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	1973.67
Gas Chromatography	TMC-2B_TMS_111	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC3=CN([Si](C)(C)C)C4=CC=CC=C34)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	3000.81
Gas Chromatography	TMC-2B_TMS_112	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	2905.55
Gas Chromatography	TMC-2B_TMS_113	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	1947.33
Gas Chromatography	TMC-2B_TMS_114	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	1415.76
Gas Chromatography	TMC-2B_TMS_115	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	2420.78
Gas Chromatography	TMC-2B_TMS_116	COC1=C(O[Si](C)(C)C)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	3460.28
Gas Chromatography	TMC-2B_TMS_117	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	3397.28
Gas Chromatography	TMC-2B_TMS_118	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=C[NH]C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	3440.6
Gas Chromatography	TMC-2B_TMS_119	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O[Si](C)(C)C	standard polar	2025-10-23	4030.93
Gas Chromatography	TMC-2B_TMS_120	COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](CC(C)CO)C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC3=CN([Si](C)(C)C)C4=CC=CC=C34)N([Si](C)(C)C)[Si](C)(C)C)CC2=C1O	standard polar	2025-10-23	1021.41

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

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

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

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

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1	Human feces	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

8134956

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

9959347

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 TMC-2B (MMDBc0003124)

MOL for #<Metabolite:0x00007f9ab4631bf8>

3D MOL for #<Metabolite:0x00007f9ab4631bf8>

3D SDF for #<Metabolite:0x00007f9ab4631bf8>

3D-SDF for #<Metabolite:0x00007f9ab4631bf8>

PDB for #<Metabolite:0x00007f9ab4631bf8>

3D PDB for #<Metabolite:0x00007f9ab4631bf8>

SMILES for #<Metabolite:0x00007f9ab4631bf8>

INCHI for #<Metabolite:0x00007f9ab4631bf8>

Structure for #<Metabolite:0x00007f9ab4631bf8>

3D Structure for #<Metabolite:0x00007f9ab4631bf8>