MiMeDB: Showing metabocard for Imizoquin D (MMDBc0028124)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-15 17:45:46 UTC

Update Date

2025-10-07 16:07:49 UTC

Metabolite ID

MMDBc0028124

Metabolite Identification

Common Name

Imizoquin D

Description

Imizoquin D is a member of the imidazopyridine chemical class. There is limited literature available on this metabolite, and further research is needed to fully understand its properties and potential biological significance.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152119452D          

 44 48  0  0  1  0            999 V2000
    4.6840   -3.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6274   -4.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3481   -5.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0948   -3.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5361   -5.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2071    2.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6566   -2.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1210   -0.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0514   -4.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    3.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0521    2.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7725    2.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6309   -3.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2828   -4.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5556   -1.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0035   -4.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0446   -2.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172    1.5708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2964   -0.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1656   -1.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3802   -1.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6002   -2.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8148   -1.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4248   -2.6367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3410   -1.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8618    0.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1052   -1.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0074    1.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1789   -4.8204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8084   -2.6170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2518    0.8695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9064   -1.2857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7279    4.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4867    3.6745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -0.4814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2102   -3.3895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6394   -1.8839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0372    0.1168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5249   -0.9498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3974    0.8180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4421    2.2462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8594   -3.3379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3825    2.2720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4718   -0.5845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
 12  6  1  0  0  0  0
 12 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14  4  2  0  0  0  0
 14 13  1  0  0  0  0
 15  8  1  0  0  0  0
 16  5  2  0  0  0  0
 16 14  1  0  0  0  0
  7 17  1  4  0  0  0
 18  6  1  0  0  0  0
 19  8  1  0  0  0  0
 20 15  2  0  0  0  0
 21 15  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  2  0  0  0  0
 24 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 20  1  0  0  0  0
 26 19  1  0  0  0  0
 27 17  2  0  0  0  0
 28 18  1  0  0  0  0
 29  9  2  0  0  0  0
 29 16  1  0  0  0  0
 30 17  1  0  0  0  0
 30 25  2  0  0  0  0
 18 31  1  1  0  0  0
 31 26  2  0  0  0  0
 32 19  1  0  0  0  0
 32 25  1  0  0  0  0
 32 27  1  0  0  0  0
 33 10  1  0  0  0  0
 34 11  1  0  0  0  0
 35 21  1  0  0  0  0
 36 22  1  0  0  0  0
 37 23  1  0  0  0  0
 26 38  1  4  0  0  0
 39 27  1  0  0  0  0
 40 28  2  0  0  0  0
 41 28  1  0  0  0  0
 42  1  1  0  0  0  0
 42 24  1  0  0  0  0
 18 43  1  1  0  0  0
 44 19  1  0  0  0  0
M  END


  Mrv1652305152119452D          

 44 48  0  0  1  0            999 V2000
    4.6840   -3.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6274   -4.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3481   -5.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0948   -3.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5361   -5.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2071    2.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6566   -2.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1210   -0.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0514   -4.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    3.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0521    2.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7725    2.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6309   -3.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2828   -4.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5556   -1.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0035   -4.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0446   -2.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172    1.5708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2964   -0.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1656   -1.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3802   -1.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6002   -2.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8148   -1.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4248   -2.6367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3410   -1.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8618    0.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1052   -1.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0074    1.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1789   -4.8204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8084   -2.6170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2518    0.8695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9064   -1.2857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7279    4.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4867    3.6745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -0.4814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2102   -3.3895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6394   -1.8839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0372    0.1168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5249   -0.9498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3974    0.8180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4421    2.2462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8594   -3.3379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3825    2.2720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4718   -0.5845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
 12  6  1  0  0  0  0
 12 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14  4  2  0  0  0  0
 14 13  1  0  0  0  0
 15  8  1  0  0  0  0
 16  5  2  0  0  0  0
 16 14  1  0  0  0  0
  7 17  1  4  0  0  0
 18  6  1  0  0  0  0
 19  8  1  0  0  0  0
 20 15  2  0  0  0  0
 21 15  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  2  0  0  0  0
 24 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 20  1  0  0  0  0
 26 19  1  0  0  0  0
 27 17  2  0  0  0  0
 28 18  1  0  0  0  0
 29  9  2  0  0  0  0
 29 16  1  0  0  0  0
 30 17  1  0  0  0  0
 30 25  2  0  0  0  0
 18 31  1  1  0  0  0
 31 26  2  0  0  0  0
 32 19  1  0  0  0  0
 32 25  1  0  0  0  0
 32 27  1  0  0  0  0
 33 10  1  0  0  0  0
 34 11  1  0  0  0  0
 35 21  1  0  0  0  0
 36 22  1  0  0  0  0
 37 23  1  0  0  0  0
 26 38  1  4  0  0  0
 39 27  1  0  0  0  0
 40 28  2  0  0  0  0
 41 28  1  0  0  0  0
 42  1  1  0  0  0  0
 42 24  1  0  0  0  0
 18 43  1  1  0  0  0
 44 19  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0028124

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@](CC(CO)CO)(N=C(O)C1([H])CC2=C(C3=NC(C=C4C=NC5=CC=CC=C45)=C(O)N13)C(O)=C(OC)C(O)=C2O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C28H28N4O10/c1-42-24-22(36)20-15(21(35)23(24)37)8-19(26(38)31-18(28(40)41)6-12(10-33)11-34)32-25(20)30-17(27(32)39)7-13-9-29-16-5-3-2-4-14(13)16/h2-5,7,9,12,18-19,33-37,39H,6,8,10-11H2,1H3,(H,31,38)(H,40,41)/t18-,19?/m0/s1

> <INCHI_KEY>
YUQWCTIQZZQAKE-OYKVQYDMSA-N

> <FORMULA>
C28H28N4O10

> <MOLECULAR_WEIGHT>
580.55

> <EXACT_MASS>
580.180543118

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
58.494409503236405

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-5-hydroxy-2-{[hydroxy({3,7,8,10-tetrahydroxy-2-[(3H-indol-3-ylidene)methyl]-9-methoxy-5H,6H-imidazo[2,1-a]isoquinolin-5-yl})methylidene]amino}-4-(hydroxymethyl)pentanoic acid

> <ALOGPS_LOGP>
1.38

> <JCHEM_LOGP>
0.012661891241289112

> <ALOGPS_LOGS>
-3.24

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.6502579840577973

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.061404214276211

> <JCHEM_PKA_STRONGEST_BASIC>
4.3364367287920516

> <JCHEM_POLAR_SURFACE_AREA>
230.67999999999995

> <JCHEM_REFRACTIVITY>
159.7341000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.36e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-5-hydroxy-2-({hydroxy[3,7,8,10-tetrahydroxy-2-(indol-3-ylidenemethyl)-9-methoxy-5H,6H-imidazo[2,1-a]isoquinolin-5-yl]methylidene}amino)-4-(hydroxymethyl)pentanoic 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       8.744  -6.183   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.904  -8.500   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.383  -9.949   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.910  -7.324   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.867 -10.222   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.253   4.289   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.226  -5.114   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.959  -0.995   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.096  -7.519   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.170   6.955   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.097   5.550   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.442   5.598   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.178  -6.653   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.395  -7.597   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.770  -2.304   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.873  -9.046   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.083  -4.303   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.525   2.932   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.420  -1.043   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.042  -3.661   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.310  -2.256   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.854  -4.970   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.121  -3.565   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.393  -4.922   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.503  -3.709   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.609   0.266   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.196  -2.767   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.014   2.884   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0      -0.334  -8.998   0.000  0.00  0.00           N+0
HETATM   30  N   UNK     0       1.509  -4.885   0.000  0.00  0.00           N+0
HETATM   31  N   UNK     0       2.337   1.623   0.000  0.00  0.00           N+0
HETATM   32  N   UNK     0       1.692  -2.400   0.000  0.00  0.00           N+0
HETATM   33  O   UNK     0       1.359   8.264   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -0.908   6.859   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       7.038  -0.899   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       4.126  -6.327   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       8.660  -3.517   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       0.069   0.218   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -0.980  -1.773   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -0.742   1.527   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -0.825   4.193   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       7.204  -6.231   0.000  0.00  0.00           O+0
HETATM   43  H   UNK     0       0.714   4.241   0.000  0.00  0.00           H+0
HETATM   44  H   UNK     0       0.881  -1.091   0.000  0.00  0.00           H+0
CONECT    1   42                                                            
CONECT    2    3    4                                                       
CONECT    3    2    5                                                       
CONECT    4    2   14                                                       
CONECT    5    3   16                                                       
CONECT    6   12   18                                                       
CONECT    7   13   17                                                       
CONECT    8   15   19                                                       
CONECT    9   13   29                                                       
CONECT   10   12   33                                                       
CONECT   11   12   34                                                       
CONECT   12    6   10   11                                                  
CONECT   13    7    9   14                                                  
CONECT   14    4   13   16                                                  
CONECT   15    8   20   21                                                  
CONECT   16    5   14   29                                                  
CONECT   17    7   27   30                                                  
CONECT   18    6   28   31   43                                             
CONECT   19    8   26   32   44                                             
CONECT   20   15   22   25                                                  
CONECT   21   15   23   35                                                  
CONECT   22   20   24   36                                                  
CONECT   23   21   24   37                                                  
CONECT   24   22   23   42                                                  
CONECT   25   20   30   32                                                  
CONECT   26   19   31   38                                                  
CONECT   27   17   32   39                                                  
CONECT   28   18   40   41                                                  
CONECT   29    9   16                                                       
CONECT   30   17   25                                                       
CONECT   31   18   26                                                       
CONECT   32   19   25   27                                                  
CONECT   33   10                                                            
CONECT   34   11                                                            
CONECT   35   21                                                            
CONECT   36   22                                                            
CONECT   37   23                                                            
CONECT   38   26                                                            
CONECT   39   27                                                            
CONECT   40   28                                                            
CONECT   41   28                                                            
CONECT   42    1   24                                                       
CONECT   43   18                                                            
CONECT   44   19                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

Synonyms

Not Available

Molecular Formula

C₂₈H₂₈N₄O₁₀

Average Mass

580.55

Monoisotopic Mass

580.180543118

IUPAC Name

(2S)-5-hydroxy-2-{[hydroxy({3,7,8,10-tetrahydroxy-2-[(3H-indol-3-ylidene)methyl]-9-methoxy-5H,6H-imidazo[2,1-a]isoquinolin-5-yl})methylidene]amino}-4-(hydroxymethyl)pentanoic acid

Traditional Name

(2S)-5-hydroxy-2-({hydroxy[3,7,8,10-tetrahydroxy-2-(indol-3-ylidenemethyl)-9-methoxy-5H,6H-imidazo[2,1-a]isoquinolin-5-yl]methylidene}amino)-4-(hydroxymethyl)pentanoic acid

CAS Registry Number

Not Available

SMILES

[H][C@@](CC(CO)CO)(N=C(O)C1([H])CC2=C(C3=NC(C=C4C=NC5=CC=CC=C45)=C(O)N13)C(O)=C(OC)C(O)=C2O)C(O)=O

InChI Identifier

InChI=1S/C28H28N4O10/c1-42-24-22(36)20-15(21(35)23(24)37)8-19(26(38)31-18(28(40)41)6-12(10-33)11-34)32-25(20)30-17(27(32)39)7-13-9-29-16-5-3-2-4-14(13)16/h2-5,7,9,12,18-19,33-37,39H,6,8,10-11H2,1H3,(H,31,38)(H,40,41)/t18-,19?/m0/s1

InChI Key

YUQWCTIQZZQAKE-OYKVQYDMSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

N-acyl-L-alpha-amino acids

Alternative Parents

Substituents

N-acyl-l-alpha-amino acid
Indole or derivatives
Anisole
Alkyl aryl ether
Benzenoid
N-substituted imidazole
Heteroaromatic compound
Imidazole
Azole
Secondary carboxylic acid amide
Carboxamide group
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Polyol
Monocarboxylic acid or derivatives
Ether
Carboxylic acid
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
Imine
Carbonyl group
Alcohol
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	0.34 g/L	ALOGPS
logP	1.38	ALOGPS
logP	0.013	ChemAxon
logS	-3.2	ALOGPS
pKa (Strongest Acidic)	3.06	ChemAxon
pKa (Strongest Basic)	4.34	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	230.68 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	159.73 m³·mol⁻¹	ChemAxon
Polarizability	58.49 Å³	ChemAxon
Number of Rings	5	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_27) - 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)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-17	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 (void)	2025-10-23	490.4
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	379.8
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	142.9
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	366.9
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	329.9
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-23	185.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	532.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (void)	2025-10-23	1118.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	322.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	151.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	649.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	167.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	95.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	480.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	447.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	69.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	255.1
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	808.6
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	638.9

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Imizoquin D_TMS_1	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard non polar	2025-10-23	2144.8
Gas Chromatography	Imizoquin D_TMS_2	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard non polar	2025-10-23	1560.87
Gas Chromatography	Imizoquin D_TMS_3	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard non polar	2025-10-23	2954.29
Gas Chromatography	Imizoquin D_TMS_4	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2735.27
Gas Chromatography	Imizoquin D_TMS_5	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2324.06
Gas Chromatography	Imizoquin D_TMS_6	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard non polar	2025-10-23	2098.07
Gas Chromatography	Imizoquin D_TMS_7	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard non polar	2025-10-23	2242.14
Gas Chromatography	Imizoquin D_TMS_8	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	852.581
Gas Chromatography	Imizoquin D_TMS_9	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard non polar	2025-10-23	1970.68
Gas Chromatography	Imizoquin D_TMS_10	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2846.61
Gas Chromatography	Imizoquin D_TMS_11	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard non polar	2025-10-23	2648.76
Gas Chromatography	Imizoquin D_TMS_12	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard non polar	2025-10-23	1980.07
Gas Chromatography	Imizoquin D_TMS_13	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard non polar	2025-10-23	3059.91
Gas Chromatography	Imizoquin D_TMS_14	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard non polar	2025-10-23	2105.3
Gas Chromatography	Imizoquin D_TMS_15	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1329.24
Gas Chromatography	Imizoquin D_TMS_16	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard non polar	2025-10-23	1413.73
Gas Chromatography	Imizoquin D_TMS_17	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	561.5
Gas Chromatography	Imizoquin D_TMS_18	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard non polar	2025-10-23	3340.31
Gas Chromatography	Imizoquin D_TMS_19	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard non polar	2025-10-23	1846.62
Gas Chromatography	Imizoquin D_TMS_20	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2244.16
Gas Chromatography	Imizoquin D_TMS_21	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard non polar	2025-10-23	2387.26
Gas Chromatography	Imizoquin D_TMS_22	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	4418.1
Gas Chromatography	Imizoquin D_TMS_23	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard non polar	2025-10-23	745.083
Gas Chromatography	Imizoquin D_TMS_24	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	677.706
Gas Chromatography	Imizoquin D_TMS_25	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	814.408
Gas Chromatography	Imizoquin D_TMS_26	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1885.1
Gas Chromatography	Imizoquin D_TMS_27	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2051.91
Gas Chromatography	Imizoquin D_TMS_28	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1714.19
Gas Chromatography	Imizoquin D_TMS_29	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard non polar	2025-10-23	1434.91
Gas Chromatography	Imizoquin D_TMS_30	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	3300.14
Gas Chromatography	Imizoquin D_TMS_31	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	3328.55
Gas Chromatography	Imizoquin D_TMS_32	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	876.993
Gas Chromatography	Imizoquin D_TMS_33	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1126.32
Gas Chromatography	Imizoquin D_TMS_34	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2178.27
Gas Chromatography	Imizoquin D_TMS_35	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2019.53
Gas Chromatography	Imizoquin D_TMS_36	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	3291.64
Gas Chromatography	Imizoquin D_TMS_37	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard non polar	2025-10-23	2214.24
Gas Chromatography	Imizoquin D_TMS_38	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard non polar	2025-10-23	2602.64
Gas Chromatography	Imizoquin D_TMS_39	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard non polar	2025-10-23	1179.45
Gas Chromatography	Imizoquin D_TMS_40	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard non polar	2025-10-23	2904.6
Gas Chromatography	Imizoquin D_TMS_41	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2895.83
Gas Chromatography	Imizoquin D_TMS_42	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1754.2
Gas Chromatography	Imizoquin D_TMS_43	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2720.78
Gas Chromatography	Imizoquin D_TMS_44	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	3402.98
Gas Chromatography	Imizoquin D_TMS_45	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard non polar	2025-10-23	1435.88
Gas Chromatography	Imizoquin D_TMS_46	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard non polar	2025-10-23	396.23
Gas Chromatography	Imizoquin D_TMS_47	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard non polar	2025-10-23	2281.98
Gas Chromatography	Imizoquin D_TMS_48	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard non polar	2025-10-23	968.44
Gas Chromatography	Imizoquin D_TMS_49	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard non polar	2025-10-23	1633.52
Gas Chromatography	Imizoquin D_TMS_50	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard non polar	2025-10-23	745.014
Gas Chromatography	Imizoquin D_TMS_51	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2297.76
Gas Chromatography	Imizoquin D_TMS_52	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1949.33
Gas Chromatography	Imizoquin D_TMS_53	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	889.107
Gas Chromatography	Imizoquin D_TMS_54	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2237.53
Gas Chromatography	Imizoquin D_TMS_55	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	830.046
Gas Chromatography	Imizoquin D_TMS_56	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard non polar	2025-10-23	1878.35
Gas Chromatography	Imizoquin D_TMS_57	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard non polar	2025-10-23	2990.1
Gas Chromatography	Imizoquin D_TMS_58	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1881.61
Gas Chromatography	Imizoquin D_TMS_59	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1518.71
Gas Chromatography	Imizoquin D_TMS_60	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard non polar	2025-10-23	1539.54
Gas Chromatography	Imizoquin D_TMS_61	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1779.87
Gas Chromatography	Imizoquin D_TMS_62	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2069.54
Gas Chromatography	Imizoquin D_TMS_63	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1061.57
Gas Chromatography	Imizoquin D_TMS_64	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1741.15
Gas Chromatography	Imizoquin D_TMS_65	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard non polar	2025-10-23	2208.85
Gas Chromatography	Imizoquin D_TMS_66	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2138.12
Gas Chromatography	Imizoquin D_TMS_67	COC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2325.9
Gas Chromatography	Imizoquin D_TMS_68	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1859.66
Gas Chromatography	Imizoquin D_TMS_69	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	721.749
Gas Chromatography	Imizoquin D_TMS_70	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1575.63
Gas Chromatography	Imizoquin D_TMS_71	COC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2763.71
Gas Chromatography	Imizoquin D_TMS_72	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1603.52
Gas Chromatography	Imizoquin D_TMS_73	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	3304.66
Gas Chromatography	Imizoquin D_TMS_74	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	919.157
Gas Chromatography	Imizoquin D_TMS_75	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2687.77
Gas Chromatography	Imizoquin D_TMS_76	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1490.33
Gas Chromatography	Imizoquin D_TMS_77	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1895.97
Gas Chromatography	Imizoquin D_TMS_78	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1673.26
Gas Chromatography	Imizoquin D_TMS_79	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1840.69
Gas Chromatography	Imizoquin D_TMS_80	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2042.37
Gas Chromatography	Imizoquin D_TMS_81	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1384.36
Gas Chromatography	Imizoquin D_TMS_82	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2858.8
Gas Chromatography	Imizoquin D_TMS_83	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1711.64
Gas Chromatography	Imizoquin D_TMS_84	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2078.59
Gas Chromatography	Imizoquin D_TMS_85	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	3046.45
Gas Chromatography	Imizoquin D_TMS_86	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2677.4
Gas Chromatography	Imizoquin D_TMS_87	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	260.422
Gas Chromatography	Imizoquin D_TMS_88	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2921.98
Gas Chromatography	Imizoquin D_TMS_89	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1788.35
Gas Chromatography	Imizoquin D_TMS_90	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard non polar	2025-10-23	2053.86
Gas Chromatography	Imizoquin D_TMS_91	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard non polar	2025-10-23	1986.17
Gas Chromatography	Imizoquin D_TMS_92	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard non polar	2025-10-23	1343.88
Gas Chromatography	Imizoquin D_TMS_93	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard non polar	2025-10-23	2103.43
Gas Chromatography	Imizoquin D_TMS_94	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard non polar	2025-10-23	2259.15
Gas Chromatography	Imizoquin D_TMS_95	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard non polar	2025-10-23	1756.6
Gas Chromatography	Imizoquin D_TMS_96	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1470.55
Gas Chromatography	Imizoquin D_TMS_97	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1880.28
Gas Chromatography	Imizoquin D_TMS_98	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	-402.688
Gas Chromatography	Imizoquin D_TMS_99	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	883.071
Gas Chromatography	Imizoquin D_TMS_100	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1241.34
Gas Chromatography	Imizoquin D_TMS_101	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1491.06
Gas Chromatography	Imizoquin D_TMS_102	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard non polar	2025-10-23	2631.34
Gas Chromatography	Imizoquin D_TMS_103	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard non polar	2025-10-23	1530.11
Gas Chromatography	Imizoquin D_TMS_104	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard non polar	2025-10-23	4059.42
Gas Chromatography	Imizoquin D_TMS_105	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard non polar	2025-10-23	3488.92
Gas Chromatography	Imizoquin D_TMS_106	COC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1812.3
Gas Chromatography	Imizoquin D_TMS_107	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2352.81
Gas Chromatography	Imizoquin D_TMS_108	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2244.39
Gas Chromatography	Imizoquin D_TMS_109	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1745.43
Gas Chromatography	Imizoquin D_TMS_110	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1225.42
Gas Chromatography	Imizoquin D_TMS_111	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2706.63
Gas Chromatography	Imizoquin D_TMS_112	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2625.47
Gas Chromatography	Imizoquin D_TMS_113	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1998.05
Gas Chromatography	Imizoquin D_TMS_114	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard non polar	2025-10-23	889.109
Gas Chromatography	Imizoquin D_TMS_115	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	1108.41
Gas Chromatography	Imizoquin D_TMS_116	COC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	3372.89
Gas Chromatography	Imizoquin D_TMS_117	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	-568.327
Gas Chromatography	Imizoquin D_TMS_118	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2496.19
Gas Chromatography	Imizoquin D_TMS_119	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2466.35
Gas Chromatography	Imizoquin D_TMS_120	COC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard non polar	2025-10-23	2704.22
Gas Chromatography	Imizoquin D_TMS_1	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard polar	2025-10-23	3156.18
Gas Chromatography	Imizoquin D_TMS_2	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard polar	2025-10-23	2046.64
Gas Chromatography	Imizoquin D_TMS_3	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard polar	2025-10-23	1510.19
Gas Chromatography	Imizoquin D_TMS_4	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	3535.93
Gas Chromatography	Imizoquin D_TMS_5	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	1198.0
Gas Chromatography	Imizoquin D_TMS_6	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard polar	2025-10-23	2563.12
Gas Chromatography	Imizoquin D_TMS_7	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard polar	2025-10-23	1485.19
Gas Chromatography	Imizoquin D_TMS_8	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	2187.28
Gas Chromatography	Imizoquin D_TMS_9	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard polar	2025-10-23	2909.36
Gas Chromatography	Imizoquin D_TMS_10	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	1324.63
Gas Chromatography	Imizoquin D_TMS_11	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard polar	2025-10-23	498.884
Gas Chromatography	Imizoquin D_TMS_12	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard polar	2025-10-23	2381.6
Gas Chromatography	Imizoquin D_TMS_13	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard polar	2025-10-23	1797.44
Gas Chromatography	Imizoquin D_TMS_14	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard polar	2025-10-23	1114.36
Gas Chromatography	Imizoquin D_TMS_15	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	2717.76
Gas Chromatography	Imizoquin D_TMS_16	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard polar	2025-10-23	942.55
Gas Chromatography	Imizoquin D_TMS_17	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2692.89
Gas Chromatography	Imizoquin D_TMS_18	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard polar	2025-10-23	1315.0
Gas Chromatography	Imizoquin D_TMS_19	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard polar	2025-10-23	3367.29
Gas Chromatography	Imizoquin D_TMS_20	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	2389.9
Gas Chromatography	Imizoquin D_TMS_21	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard polar	2025-10-23	2077.7
Gas Chromatography	Imizoquin D_TMS_22	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2915.8
Gas Chromatography	Imizoquin D_TMS_23	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard polar	2025-10-23	1817.37
Gas Chromatography	Imizoquin D_TMS_24	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2330.72
Gas Chromatography	Imizoquin D_TMS_25	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	1303.06
Gas Chromatography	Imizoquin D_TMS_26	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2631.33
Gas Chromatography	Imizoquin D_TMS_27	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	3166.81
Gas Chromatography	Imizoquin D_TMS_28	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	1476.44
Gas Chromatography	Imizoquin D_TMS_29	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard polar	2025-10-23	1773.34
Gas Chromatography	Imizoquin D_TMS_30	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	1804.21
Gas Chromatography	Imizoquin D_TMS_31	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	1056.36
Gas Chromatography	Imizoquin D_TMS_32	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	1160.44
Gas Chromatography	Imizoquin D_TMS_33	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	1837.94
Gas Chromatography	Imizoquin D_TMS_34	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	2878.04
Gas Chromatography	Imizoquin D_TMS_35	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	3511.58
Gas Chromatography	Imizoquin D_TMS_36	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	1193.48
Gas Chromatography	Imizoquin D_TMS_37	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard polar	2025-10-23	2073.29
Gas Chromatography	Imizoquin D_TMS_38	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard polar	2025-10-23	267.245
Gas Chromatography	Imizoquin D_TMS_39	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard polar	2025-10-23	2078.46
Gas Chromatography	Imizoquin D_TMS_40	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard polar	2025-10-23	2654.31
Gas Chromatography	Imizoquin D_TMS_41	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	1432.99
Gas Chromatography	Imizoquin D_TMS_42	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2034.63
Gas Chromatography	Imizoquin D_TMS_43	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2907.67
Gas Chromatography	Imizoquin D_TMS_44	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	1994.86
Gas Chromatography	Imizoquin D_TMS_45	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard polar	2025-10-23	1378.85
Gas Chromatography	Imizoquin D_TMS_46	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard polar	2025-10-23	1912.11
Gas Chromatography	Imizoquin D_TMS_47	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard polar	2025-10-23	1927.79
Gas Chromatography	Imizoquin D_TMS_48	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard polar	2025-10-23	1879.81
Gas Chromatography	Imizoquin D_TMS_49	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard polar	2025-10-23	2701.37
Gas Chromatography	Imizoquin D_TMS_50	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard polar	2025-10-23	596.647
Gas Chromatography	Imizoquin D_TMS_51	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2315.02
Gas Chromatography	Imizoquin D_TMS_52	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	2147.34
Gas Chromatography	Imizoquin D_TMS_53	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	3658.25
Gas Chromatography	Imizoquin D_TMS_54	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	858.654
Gas Chromatography	Imizoquin D_TMS_55	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2232.21
Gas Chromatography	Imizoquin D_TMS_56	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard polar	2025-10-23	1405.81
Gas Chromatography	Imizoquin D_TMS_57	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard polar	2025-10-23	1638.36
Gas Chromatography	Imizoquin D_TMS_58	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2503.95
Gas Chromatography	Imizoquin D_TMS_59	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	138.427
Gas Chromatography	Imizoquin D_TMS_60	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard polar	2025-10-23	1835.59
Gas Chromatography	Imizoquin D_TMS_61	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2784.08
Gas Chromatography	Imizoquin D_TMS_62	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	3208.68
Gas Chromatography	Imizoquin D_TMS_63	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	1619.78
Gas Chromatography	Imizoquin D_TMS_64	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	1737.9
Gas Chromatography	Imizoquin D_TMS_65	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard polar	2025-10-23	1535.5
Gas Chromatography	Imizoquin D_TMS_66	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	1823.51
Gas Chromatography	Imizoquin D_TMS_67	COC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2339.92
Gas Chromatography	Imizoquin D_TMS_68	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2707.59
Gas Chromatography	Imizoquin D_TMS_69	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2511.0
Gas Chromatography	Imizoquin D_TMS_70	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	2008.62
Gas Chromatography	Imizoquin D_TMS_71	COC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	3252.65
Gas Chromatography	Imizoquin D_TMS_72	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2484.54
Gas Chromatography	Imizoquin D_TMS_73	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	1938.36
Gas Chromatography	Imizoquin D_TMS_74	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	861.417
Gas Chromatography	Imizoquin D_TMS_75	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	167.419
Gas Chromatography	Imizoquin D_TMS_76	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	2449.06
Gas Chromatography	Imizoquin D_TMS_77	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	1716.17
Gas Chromatography	Imizoquin D_TMS_78	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	2051.84
Gas Chromatography	Imizoquin D_TMS_79	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	1164.54
Gas Chromatography	Imizoquin D_TMS_80	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	2592.89
Gas Chromatography	Imizoquin D_TMS_81	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	311.196
Gas Chromatography	Imizoquin D_TMS_82	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	1805.3
Gas Chromatography	Imizoquin D_TMS_83	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	581.961
Gas Chromatography	Imizoquin D_TMS_84	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	3445.88
Gas Chromatography	Imizoquin D_TMS_85	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	2574.04
Gas Chromatography	Imizoquin D_TMS_86	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2005.36
Gas Chromatography	Imizoquin D_TMS_87	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2755.82
Gas Chromatography	Imizoquin D_TMS_88	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	956.594
Gas Chromatography	Imizoquin D_TMS_89	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	1821.09
Gas Chromatography	Imizoquin D_TMS_90	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard polar	2025-10-23	2739.36
Gas Chromatography	Imizoquin D_TMS_91	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard polar	2025-10-23	1939.06
Gas Chromatography	Imizoquin D_TMS_92	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard polar	2025-10-23	3581.79
Gas Chromatography	Imizoquin D_TMS_93	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard polar	2025-10-23	3270.07
Gas Chromatography	Imizoquin D_TMS_94	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard polar	2025-10-23	2383.76
Gas Chromatography	Imizoquin D_TMS_95	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard polar	2025-10-23	1898.84
Gas Chromatography	Imizoquin D_TMS_96	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2528.43
Gas Chromatography	Imizoquin D_TMS_97	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	1477.02
Gas Chromatography	Imizoquin D_TMS_98	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	1323.76
Gas Chromatography	Imizoquin D_TMS_99	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	905.374
Gas Chromatography	Imizoquin D_TMS_100	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	1242.86
Gas Chromatography	Imizoquin D_TMS_101	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2208.63
Gas Chromatography	Imizoquin D_TMS_102	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard polar	2025-10-23	2225.43
Gas Chromatography	Imizoquin D_TMS_103	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard polar	2025-10-23	1425.87
Gas Chromatography	Imizoquin D_TMS_104	COC1=C(O)C(O)=C2CC(C(O)=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard polar	2025-10-23	2670.0
Gas Chromatography	Imizoquin D_TMS_105	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO[Si](C)(C)C)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O	standard polar	2025-10-23	3055.09
Gas Chromatography	Imizoquin D_TMS_106	COC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	3423.38
Gas Chromatography	Imizoquin D_TMS_107	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	4317.73
Gas Chromatography	Imizoquin D_TMS_108	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2203.72
Gas Chromatography	Imizoquin D_TMS_109	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	1911.99
Gas Chromatography	Imizoquin D_TMS_110	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	2618.07
Gas Chromatography	Imizoquin D_TMS_111	COC1=C(O)C2=C(CC(C(=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	1765.91
Gas Chromatography	Imizoquin D_TMS_112	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2219.07
Gas Chromatography	Imizoquin D_TMS_113	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	1701.7
Gas Chromatography	Imizoquin D_TMS_114	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O	standard polar	2025-10-23	1311.11
Gas Chromatography	Imizoquin D_TMS_115	COC1=C(O)C(O)=C2CC(C(=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	3518.66
Gas Chromatography	Imizoquin D_TMS_116	COC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2381.92
Gas Chromatography	Imizoquin D_TMS_117	COC1=C(O[Si](C)(C)C)C(O)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	985.989
Gas Chromatography	Imizoquin D_TMS_118	COC1=C(O)C2=C(CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C2=NC(C=C2C=NC4=CC=CC=C24)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	2228.65
Gas Chromatography	Imizoquin D_TMS_119	COC1=C(O)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O[Si](C)(C)C)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	820.301
Gas Chromatography	Imizoquin D_TMS_120	COC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2CC(C(O)=N[C@@H](CC(CO)CO)C(=O)O[Si](C)(C)C)N3C(=NC(C=C4C=NC5=CC=CC=C45)=C3O)C2=C1O[Si](C)(C)C	standard polar	2025-10-23	2552.28

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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

146684535

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 Imizoquin D (MMDBc0028124)

MOL for #<Metabolite:0x00007fadcc03ee28>

3D MOL for #<Metabolite:0x00007fadcc03ee28>

3D SDF for #<Metabolite:0x00007fadcc03ee28>

3D-SDF for #<Metabolite:0x00007fadcc03ee28>

PDB for #<Metabolite:0x00007fadcc03ee28>

3D PDB for #<Metabolite:0x00007fadcc03ee28>

SMILES for #<Metabolite:0x00007fadcc03ee28>

INCHI for #<Metabolite:0x00007fadcc03ee28>

Structure for #<Metabolite:0x00007fadcc03ee28>

3D Structure for #<Metabolite:0x00007fadcc03ee28>