MiMeDB: Showing metabocard for AAL-Toxin (MMDBc0003863)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-14 22:07:30 UTC

Update Date

2025-10-07 16:04:47 UTC

Metabolite ID

MMDBc0003863

Metabolite Identification

Common Name

AAL-Toxin

Description

AAL-Toxin is a phytotoxin belonging to the class of polyketides, produced by certain fungal pathogens. This metabolite has garnered attention for its significant role in plant-pathogen interactions, particularly in the context of its herbicidal properties and potential applications as a bioherbicide, alongside other compounds like maculosin and tenuazonic acid (PMID:35205922 ). The pathogenicity of AAL-Toxin is closely linked to specific genetic factors in host plants, notably the Asc1 gene, which determines susceptibility in various tomato accessions (PMID:33379271 ). Studies have shown that the presence of AAL-Toxin can significantly enhance the pathogenicity of mutant pathogens by increasing cell death, hyphal penetration, and invasive spread (PMID:33922952 ). Additionally, phenotypic diversity among strains has been observed, with some lacking the AAL-toxin biosynthesis gene (ALT1) and demonstrating non-pathogenicity to their original hosts (PMID:39643392 ). This highlights the complex interplay between AAL-Toxin production and host susceptibility, making it a critical focus for understanding plant defense mechanisms and developing effective biocontrol strategies.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152100072D          

 44 43  0  0  1  0            999 V2000
    0.3829    3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2408    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8118    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3829    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3842    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6697    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0987    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9552    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8131    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5263    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0461    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9565    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3855    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2408    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0974    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6710    1.8414    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5276    1.4289    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2421    1.8414    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8118    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3316    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0974    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0999    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6710    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5276    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2421    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8118    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9039    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1895    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3316    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0461    3.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    3.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3829    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9552    1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0974    3.4914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605    1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6710    1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5276    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2421    1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8118    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3829    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 15  2  1  0  0  0  0
 15  8  1  0  0  0  0
 15 10  1  0  0  0  0
 16  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19  9  1  0  0  0  0
 20 13  1  0  0  0  0
 20 19  1  0  0  0  0
 21 10  1  0  0  0  0
 22 11  1  0  0  0  0
 23 12  1  0  0  0  0
 24 16  1  0  0  0  0
 24 21  1  0  0  0  0
 25 17  1  0  0  0  0
 26 14  1  0  0  0  0
 18 27  1  1  0  0  0
 19 28  1  1  0  0  0
 20 29  1  6  0  0  0
 30 21  1  0  0  0  0
 31 22  2  0  0  0  0
 32 22  1  0  0  0  0
 33 23  2  0  0  0  0
 34 25  2  0  0  0  0
 35 25  1  0  0  0  0
 36 23  1  0  0  0  0
 36 24  1  0  0  0  0
 37 15  1  0  0  0  0
 38 16  1  0  0  0  0
 39 17  1  0  0  0  0
 18 40  1  1  0  0  0
 19 41  1  1  0  0  0
 20 42  1  6  0  0  0
 43 21  1  0  0  0  0
 44 24  1  0  0  0  0
M  END


  Mrv1652305152100072D          

 44 43  0  0  1  0            999 V2000
    0.3829    3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2408    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8118    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3829    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3842    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6697    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0987    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9552    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8131    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5263    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0461    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9565    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3855    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2408    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0974    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6710    1.8414    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5276    1.4289    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2421    1.8414    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8118    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3316    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0974    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0999    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6710    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5276    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2421    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8118    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9039    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1895    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3316    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0461    3.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    3.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3829    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9552    1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0974    3.4914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605    1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6710    1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5276    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2421    1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8118    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3829    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 15  2  1  0  0  0  0
 15  8  1  0  0  0  0
 15 10  1  0  0  0  0
 16  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19  9  1  0  0  0  0
 20 13  1  0  0  0  0
 20 19  1  0  0  0  0
 21 10  1  0  0  0  0
 22 11  1  0  0  0  0
 23 12  1  0  0  0  0
 24 16  1  0  0  0  0
 24 21  1  0  0  0  0
 25 17  1  0  0  0  0
 26 14  1  0  0  0  0
 18 27  1  1  0  0  0
 19 28  1  1  0  0  0
 20 29  1  6  0  0  0
 30 21  1  0  0  0  0
 31 22  2  0  0  0  0
 32 22  1  0  0  0  0
 33 23  2  0  0  0  0
 34 25  2  0  0  0  0
 35 25  1  0  0  0  0
 36 23  1  0  0  0  0
 36 24  1  0  0  0  0
 37 15  1  0  0  0  0
 38 16  1  0  0  0  0
 39 17  1  0  0  0  0
 18 40  1  1  0  0  0
 19 41  1  1  0  0  0
 20 42  1  6  0  0  0
 43 21  1  0  0  0  0
 44 24  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0003863

> <DATABASE_NAME>
MIME

> <SMILES>
[H]C(C)(CCCCC[C@@]([H])(O)[C@@]([H])(O)C[C@]([H])(O)CN)CC([H])(O)C([H])(OC(=O)CC([H])(CC(O)=O)C(O)=O)C([H])(C)CC

> <INCHI_IDENTIFIER>
InChI=1S/C25H47NO10/c1-4-16(3)24(36-23(33)12-17(25(34)35)11-22(31)32)21(30)10-15(2)8-6-5-7-9-19(28)20(29)13-18(27)14-26/h15-21,24,27-30H,4-14,26H2,1-3H3,(H,31,32)(H,34,35)/t15?,16?,17?,18-,19+,20-,21?,24?/m0/s1

> <INCHI_KEY>
DOFQASYPBACFKP-UMSUPTIDSA-N

> <FORMULA>
C25H47NO10

> <MOLECULAR_WEIGHT>
521.648

> <EXACT_MASS>
521.319996717

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
83

> <JCHEM_AVERAGE_POLARIZABILITY>
56.86067834712791

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(2-{[(13R,14S,16S)-17-amino-5,13,14,16-tetrahydroxy-3,7-dimethylheptadecan-4-yl]oxy}-2-oxoethyl)butanedioic acid

> <ALOGPS_LOGP>
-2.35

> <JCHEM_LOGP>
-1.4243775299910577

> <ALOGPS_LOGS>
-3.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
5.179262584309889

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6765302649360754

> <JCHEM_PKA_STRONGEST_BASIC>
9.288231469946558

> <JCHEM_POLAR_SURFACE_AREA>
207.83999999999997

> <JCHEM_REFRACTIVITY>
130.89119999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
22

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.32e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(2-{[(13R,14S,16S)-17-amino-5,13,14,16-tetrahydroxy-3,7-dimethylheptadecan-4-yl]oxy}-2-oxoethyl)butanedioic 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       0.715   7.287   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.049   1.127   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.382   5.747   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.715   5.747   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.050   3.437   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.717   2.667   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      11.384   2.667   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.383   3.437   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.718   3.437   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.716   3.437   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.620   2.667   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.953   2.667   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      16.719   2.667   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      19.386   2.667   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.049   2.667   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.048   4.977   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -3.286   3.437   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      18.053   3.437   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      14.052   2.667   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      15.385   3.437   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.382   2.667   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -5.954   3.437   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.619   3.437   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.048   3.437   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -3.286   4.977   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0      20.720   3.437   0.000  0.00  0.00           N+0
HETATM   27  O   UNK     0      18.053   4.977   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      14.052   1.127   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      15.385   4.977   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       3.382   1.127   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -7.287   2.667   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -5.954   4.977   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -0.619   4.977   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -1.953   5.747   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -4.620   5.747   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       0.715   2.667   0.000  0.00  0.00           O+0
HETATM   37  H   UNK     0       7.383   1.897   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0       2.048   6.517   0.000  0.00  0.00           H+0
HETATM   39  H   UNK     0      -3.286   1.897   0.000  0.00  0.00           H+0
HETATM   40  H   UNK     0      18.053   1.897   0.000  0.00  0.00           H+0
HETATM   41  H   UNK     0      14.052   4.207   0.000  0.00  0.00           H+0
HETATM   42  H   UNK     0      15.385   1.897   0.000  0.00  0.00           H+0
HETATM   43  H   UNK     0       3.382   4.207   0.000  0.00  0.00           H+0
HETATM   44  H   UNK     0       0.715   4.207   0.000  0.00  0.00           H+0
CONECT    1    4                                                            
CONECT    2   15                                                            
CONECT    3   16                                                            
CONECT    4    1   16                                                       
CONECT    5    6    7                                                       
CONECT    6    5    8                                                       
CONECT    7    5    9                                                       
CONECT    8    6   15                                                       
CONECT    9    7   19                                                       
CONECT   10   15   21                                                       
CONECT   11   17   22                                                       
CONECT   12   17   23                                                       
CONECT   13   18   20                                                       
CONECT   14   18   26                                                       
CONECT   15    2    8   10   37                                             
CONECT   16    3    4   24   38                                             
CONECT   17   11   12   25   39                                             
CONECT   18   13   14   27   40                                             
CONECT   19    9   20   28   41                                             
CONECT   20   13   19   29   42                                             
CONECT   21   10   24   30   43                                             
CONECT   22   11   31   32                                                  
CONECT   23   12   33   36                                                  
CONECT   24   16   21   36   44                                             
CONECT   25   17   34   35                                                  
CONECT   26   14                                                            
CONECT   27   18                                                            
CONECT   28   19                                                            
CONECT   29   20                                                            
CONECT   30   21                                                            
CONECT   31   22                                                            
CONECT   32   22                                                            
CONECT   33   23                                                            
CONECT   34   25                                                            
CONECT   35   25                                                            
CONECT   36   23   24                                                       
CONECT   37   15                                                            
CONECT   38   16                                                            
CONECT   39   17                                                            
CONECT   40   18                                                            
CONECT   41   19                                                            
CONECT   42   20                                                            
CONECT   43   21                                                            
CONECT   44   24                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   86    0
END

Synonyms

Not Available

Molecular Formula

C₂₅H₄₇NO₁₀

Average Mass

521.648

Monoisotopic Mass

521.319996717

IUPAC Name

2-(2-{[(13R,14S,16S)-17-amino-5,13,14,16-tetrahydroxy-3,7-dimethylheptadecan-4-yl]oxy}-2-oxoethyl)butanedioic acid

Traditional Name

2-(2-{[(13R,14S,16S)-17-amino-5,13,14,16-tetrahydroxy-3,7-dimethylheptadecan-4-yl]oxy}-2-oxoethyl)butanedioic acid

CAS Registry Number

Not Available

SMILES

[H]C(C)(CCCCC[C@@]([H])(O)[C@@]([H])(O)C[C@]([H])(O)CN)CC([H])(O)C([H])(OC(=O)CC([H])(CC(O)=O)C(O)=O)C([H])(C)CC

InChI Identifier

InChI=1S/C25H47NO10/c1-4-16(3)24(36-23(33)12-17(25(34)35)11-22(31)32)21(30)10-15(2)8-6-5-7-9-19(28)20(29)13-18(27)14-26/h15-21,24,27-30H,4-14,26H2,1-3H3,(H,31,32)(H,34,35)/t15?,16?,17?,18-,19+,20-,21?,24?/m0/s1

InChI Key

DOFQASYPBACFKP-UMSUPTIDSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tricarboxylic acids and derivatives

Direct Parent

Tricarboxylic acids and derivatives

Alternative Parents

Substituents

Tricarboxylic acid or derivatives
Fatty acid ester
Fatty acyl
1,2-aminoalcohol
Amino acid or derivatives
Carboxylic acid ester
Amino acid
Secondary alcohol
Carboxylic acid
Polyol
Organic nitrogen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Carbonyl group
Organic oxygen compound
Amine
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.13 g/L	ALOGPS
logP	-2.4	ALOGPS
logP	-1.4	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	3.68	ChemAxon
pKa (Strongest Basic)	9.29	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	207.84 Å²	ChemAxon
Rotatable Bond Count	22	ChemAxon
Refractivity	130.89 m³·mol⁻¹	ChemAxon
Polarizability	56.86 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_5_19) - 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)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	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	428.5
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	276.4
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	464.7
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	459.2
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	448.9
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	159.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	1691.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	515.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	289.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	219.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	199.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	163.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	141.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	221.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	319.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	148.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	351.9
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	1296.1
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	823.9

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	AAL-Toxin_TMS_1	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN	standard non polar	2025-10-23	2986.66
Gas Chromatography	AAL-Toxin_TMS_2	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN)O[Si](C)(C)C	standard non polar	2025-10-23	2495.3
Gas Chromatography	AAL-Toxin_TMS_3	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C	standard non polar	2025-10-23	2078.97
Gas Chromatography	AAL-Toxin_TMS_4	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN)O[Si](C)(C)C	standard non polar	2025-10-23	862.331
Gas Chromatography	AAL-Toxin_TMS_5	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN	standard non polar	2025-10-23	2799.45
Gas Chromatography	AAL-Toxin_TMS_6	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN	standard non polar	2025-10-23	1720.08
Gas Chromatography	AAL-Toxin_TMS_7	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN[Si](C)(C)C	standard non polar	2025-10-23	2379.96
Gas Chromatography	AAL-Toxin_TMS_8	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN	standard non polar	2025-10-23	1302.09
Gas Chromatography	AAL-Toxin_TMS_9	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN	standard non polar	2025-10-23	1466.85
Gas Chromatography	AAL-Toxin_TMS_10	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN)O[Si](C)(C)C	standard non polar	2025-10-23	1129.67
Gas Chromatography	AAL-Toxin_TMS_11	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN)O[Si](C)(C)C	standard non polar	2025-10-23	774.479
Gas Chromatography	AAL-Toxin_TMS_12	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C	standard non polar	2025-10-23	2620.49
Gas Chromatography	AAL-Toxin_TMS_13	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN[Si](C)(C)C	standard non polar	2025-10-23	2559.19
Gas Chromatography	AAL-Toxin_TMS_14	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN)O[Si](C)(C)C	standard non polar	2025-10-23	1763.58
Gas Chromatography	AAL-Toxin_TMS_15	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN)O[Si](C)(C)C	standard non polar	2025-10-23	2126.94
Gas Chromatography	AAL-Toxin_TMS_16	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2456.29
Gas Chromatography	AAL-Toxin_TMS_17	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2806.34
Gas Chromatography	AAL-Toxin_TMS_18	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1646.84
Gas Chromatography	AAL-Toxin_TMS_19	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C	standard non polar	2025-10-23	1307.83
Gas Chromatography	AAL-Toxin_TMS_20	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C	standard non polar	2025-10-23	1124.75
Gas Chromatography	AAL-Toxin_TMS_21	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2127.44
Gas Chromatography	AAL-Toxin_TMS_22	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2589.81
Gas Chromatography	AAL-Toxin_TMS_23	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN)O[Si](C)(C)C	standard non polar	2025-10-23	3808.71
Gas Chromatography	AAL-Toxin_TMS_24	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN)O[Si](C)(C)C	standard non polar	2025-10-23	2452.39
Gas Chromatography	AAL-Toxin_TMS_25	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2068.46
Gas Chromatography	AAL-Toxin_TMS_26	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN	standard non polar	2025-10-23	701.517
Gas Chromatography	AAL-Toxin_TMS_27	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN[Si](C)(C)C	standard non polar	2025-10-23	1405.12
Gas Chromatography	AAL-Toxin_TMS_28	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN[Si](C)(C)C	standard non polar	2025-10-23	2443.95
Gas Chromatography	AAL-Toxin_TMS_29	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2096.22
Gas Chromatography	AAL-Toxin_TMS_30	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN	standard non polar	2025-10-23	1422.55
Gas Chromatography	AAL-Toxin_TMS_31	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN)O[Si](C)(C)C	standard non polar	2025-10-23	990.095
Gas Chromatography	AAL-Toxin_TMS_32	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN)O[Si](C)(C)C	standard non polar	2025-10-23	1918.26
Gas Chromatography	AAL-Toxin_TMS_33	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C	standard non polar	2025-10-23	1289.27
Gas Chromatography	AAL-Toxin_TMS_34	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN[Si](C)(C)C	standard non polar	2025-10-23	1083.26
Gas Chromatography	AAL-Toxin_TMS_35	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN)O[Si](C)(C)C	standard non polar	2025-10-23	2836.18
Gas Chromatography	AAL-Toxin_TMS_36	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN)O[Si](C)(C)C	standard non polar	2025-10-23	2433.49
Gas Chromatography	AAL-Toxin_TMS_37	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C	standard non polar	2025-10-23	3163.34
Gas Chromatography	AAL-Toxin_TMS_38	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN[Si](C)(C)C	standard non polar	2025-10-23	1535.38
Gas Chromatography	AAL-Toxin_TMS_39	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1562.22
Gas Chromatography	AAL-Toxin_TMS_40	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2127.68
Gas Chromatography	AAL-Toxin_TMS_41	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2720.91
Gas Chromatography	AAL-Toxin_TMS_42	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1811.37
Gas Chromatography	AAL-Toxin_TMS_43	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2057.34
Gas Chromatography	AAL-Toxin_TMS_44	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2214.15
Gas Chromatography	AAL-Toxin_TMS_45	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1022.09
Gas Chromatography	AAL-Toxin_TMS_46	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN)O[Si](C)(C)C	standard non polar	2025-10-23	1108.91
Gas Chromatography	AAL-Toxin_TMS_47	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1709.37
Gas Chromatography	AAL-Toxin_TMS_48	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2047.27
Gas Chromatography	AAL-Toxin_TMS_49	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1871.34
Gas Chromatography	AAL-Toxin_TMS_50	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1263.89
Gas Chromatography	AAL-Toxin_TMS_51	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2316.63
Gas Chromatography	AAL-Toxin_TMS_52	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	597.921
Gas Chromatography	AAL-Toxin_TMS_53	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2237.83
Gas Chromatography	AAL-Toxin_TMS_54	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1965.42
Gas Chromatography	AAL-Toxin_TMS_55	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1981.03
Gas Chromatography	AAL-Toxin_TMS_56	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	930.7
Gas Chromatography	AAL-Toxin_TMS_57	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C	standard non polar	2025-10-23	851.194
Gas Chromatography	AAL-Toxin_TMS_58	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	245.194
Gas Chromatography	AAL-Toxin_TMS_59	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2187.5
Gas Chromatography	AAL-Toxin_TMS_60	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1864.06
Gas Chromatography	AAL-Toxin_TMS_61	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1898.83
Gas Chromatography	AAL-Toxin_TMS_62	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2315.65
Gas Chromatography	AAL-Toxin_TMS_63	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1741.77
Gas Chromatography	AAL-Toxin_TMS_64	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN)O[Si](C)(C)C	standard non polar	2025-10-23	1406.6
Gas Chromatography	AAL-Toxin_TMS_65	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2044.98
Gas Chromatography	AAL-Toxin_TMS_66	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1388.81
Gas Chromatography	AAL-Toxin_TMS_67	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1963.6
Gas Chromatography	AAL-Toxin_TMS_68	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN[Si](C)(C)C	standard non polar	2025-10-23	2092.32
Gas Chromatography	AAL-Toxin_TMS_69	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1600.64
Gas Chromatography	AAL-Toxin_TMS_70	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1805.28
Gas Chromatography	AAL-Toxin_TMS_71	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN)O[Si](C)(C)C	standard non polar	2025-10-23	2973.36
Gas Chromatography	AAL-Toxin_TMS_72	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN)O[Si](C)(C)C	standard non polar	2025-10-23	2379.62
Gas Chromatography	AAL-Toxin_TMS_73	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C	standard non polar	2025-10-23	1684.82
Gas Chromatography	AAL-Toxin_TMS_74	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN[Si](C)(C)C	standard non polar	2025-10-23	4206.95
Gas Chromatography	AAL-Toxin_TMS_75	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2639.73
Gas Chromatography	AAL-Toxin_TMS_76	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	4113.49
Gas Chromatography	AAL-Toxin_TMS_77	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1488.72
Gas Chromatography	AAL-Toxin_TMS_78	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1706.34
Gas Chromatography	AAL-Toxin_TMS_79	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2335.1
Gas Chromatography	AAL-Toxin_TMS_80	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2004.07
Gas Chromatography	AAL-Toxin_TMS_81	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1966.21
Gas Chromatography	AAL-Toxin_TMS_82	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2110.62
Gas Chromatography	AAL-Toxin_TMS_83	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2832.79
Gas Chromatography	AAL-Toxin_TMS_84	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1676.66
Gas Chromatography	AAL-Toxin_TMS_85	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	659.01
Gas Chromatography	AAL-Toxin_TMS_86	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2765.65
Gas Chromatography	AAL-Toxin_TMS_87	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1728.64
Gas Chromatography	AAL-Toxin_TMS_88	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2094.86
Gas Chromatography	AAL-Toxin_TMS_89	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1668.03
Gas Chromatography	AAL-Toxin_TMS_90	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1903.2
Gas Chromatography	AAL-Toxin_TMS_91	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	3035.73
Gas Chromatography	AAL-Toxin_TMS_92	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1763.27
Gas Chromatography	AAL-Toxin_TMS_93	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1771.33
Gas Chromatography	AAL-Toxin_TMS_94	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1898.34
Gas Chromatography	AAL-Toxin_TMS_95	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2089.52
Gas Chromatography	AAL-Toxin_TMS_96	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2564.94
Gas Chromatography	AAL-Toxin_TMS_97	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1818.45
Gas Chromatography	AAL-Toxin_TMS_98	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	986.771
Gas Chromatography	AAL-Toxin_TMS_99	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1155.07
Gas Chromatography	AAL-Toxin_TMS_100	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1355.09
Gas Chromatography	AAL-Toxin_TMS_101	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	199.968
Gas Chromatography	AAL-Toxin_TMS_102	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1822.12
Gas Chromatography	AAL-Toxin_TMS_103	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2137.42
Gas Chromatography	AAL-Toxin_TMS_104	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2255.37
Gas Chromatography	AAL-Toxin_TMS_105	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1752.47
Gas Chromatography	AAL-Toxin_TMS_106	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1514.78
Gas Chromatography	AAL-Toxin_TMS_107	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	3508.81
Gas Chromatography	AAL-Toxin_TMS_108	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1532.03
Gas Chromatography	AAL-Toxin_TMS_109	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2294.41
Gas Chromatography	AAL-Toxin_TMS_110	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	223.367
Gas Chromatography	AAL-Toxin_TMS_111	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	3092.33
Gas Chromatography	AAL-Toxin_TMS_112	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2697.77
Gas Chromatography	AAL-Toxin_TMS_113	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2927.56
Gas Chromatography	AAL-Toxin_TMS_114	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2058.38
Gas Chromatography	AAL-Toxin_TMS_115	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	3121.65
Gas Chromatography	AAL-Toxin_TMS_116	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2330.8
Gas Chromatography	AAL-Toxin_TMS_117	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1347.18
Gas Chromatography	AAL-Toxin_TMS_118	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	-304.384
Gas Chromatography	AAL-Toxin_TMS_119	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2780.86
Gas Chromatography	AAL-Toxin_TMS_120	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1910.82
Gas Chromatography	AAL-Toxin_TMS_121	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1890.17
Gas Chromatography	AAL-Toxin_TMS_122	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1749.72
Gas Chromatography	AAL-Toxin_TMS_123	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1826.95
Gas Chromatography	AAL-Toxin_TMS_124	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1228.87
Gas Chromatography	AAL-Toxin_TMS_125	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1838.56
Gas Chromatography	AAL-Toxin_TMS_126	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2259.2
Gas Chromatography	AAL-Toxin_TMS_127	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1558.38
Gas Chromatography	AAL-Toxin_TMS_128	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2677.88
Gas Chromatography	AAL-Toxin_TMS_129	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	650.482
Gas Chromatography	AAL-Toxin_TMS_130	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	636.058
Gas Chromatography	AAL-Toxin_TMS_131	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2705.31
Gas Chromatography	AAL-Toxin_TMS_132	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2251.59
Gas Chromatography	AAL-Toxin_TMS_133	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2816.37
Gas Chromatography	AAL-Toxin_TMS_134	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2185.32
Gas Chromatography	AAL-Toxin_TMS_135	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1881.98
Gas Chromatography	AAL-Toxin_TMS_136	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2773.34
Gas Chromatography	AAL-Toxin_TMS_137	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	3886.56
Gas Chromatography	AAL-Toxin_TMS_138	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1593.28
Gas Chromatography	AAL-Toxin_TMS_139	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2115.69
Gas Chromatography	AAL-Toxin_TMS_140	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1378.54
Gas Chromatography	AAL-Toxin_TMS_141	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1046.61
Gas Chromatography	AAL-Toxin_TMS_142	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2031.27
Gas Chromatography	AAL-Toxin_TMS_143	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	450.281
Gas Chromatography	AAL-Toxin_TMS_144	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1220.97
Gas Chromatography	AAL-Toxin_TMS_145	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	3494.77
Gas Chromatography	AAL-Toxin_TMS_146	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	3217.38
Gas Chromatography	AAL-Toxin_TMS_147	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	46.4397
Gas Chromatography	AAL-Toxin_TMS_148	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1610.92
Gas Chromatography	AAL-Toxin_TMS_149	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1545.61
Gas Chromatography	AAL-Toxin_TMS_150	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1960.96
Gas Chromatography	AAL-Toxin_TMS_151	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1711.39
Gas Chromatography	AAL-Toxin_TMS_152	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1343.16
Gas Chromatography	AAL-Toxin_TMS_153	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	880.64
Gas Chromatography	AAL-Toxin_TMS_154	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	977.389
Gas Chromatography	AAL-Toxin_TMS_155	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2794.52
Gas Chromatography	AAL-Toxin_TMS_156	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1629.36
Gas Chromatography	AAL-Toxin_TMS_157	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2161.88
Gas Chromatography	AAL-Toxin_TMS_158	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2141.89
Gas Chromatography	AAL-Toxin_TMS_159	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	411.849
Gas Chromatography	AAL-Toxin_TMS_160	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2013.73
Gas Chromatography	AAL-Toxin_TMS_161	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	3707.94
Gas Chromatography	AAL-Toxin_TMS_1	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN	standard polar	2025-10-23	1924.48
Gas Chromatography	AAL-Toxin_TMS_2	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN)O[Si](C)(C)C	standard polar	2025-10-23	2746.64
Gas Chromatography	AAL-Toxin_TMS_3	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C	standard polar	2025-10-23	1938.96
Gas Chromatography	AAL-Toxin_TMS_4	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN)O[Si](C)(C)C	standard polar	2025-10-23	2127.05
Gas Chromatography	AAL-Toxin_TMS_5	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN	standard polar	2025-10-23	1964.37
Gas Chromatography	AAL-Toxin_TMS_6	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN	standard polar	2025-10-23	1862.47
Gas Chromatography	AAL-Toxin_TMS_7	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN[Si](C)(C)C	standard polar	2025-10-23	1541.2
Gas Chromatography	AAL-Toxin_TMS_8	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN	standard polar	2025-10-23	1714.81
Gas Chromatography	AAL-Toxin_TMS_9	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN	standard polar	2025-10-23	2513.12
Gas Chromatography	AAL-Toxin_TMS_10	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN)O[Si](C)(C)C	standard polar	2025-10-23	1690.8
Gas Chromatography	AAL-Toxin_TMS_11	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN)O[Si](C)(C)C	standard polar	2025-10-23	1727.4
Gas Chromatography	AAL-Toxin_TMS_12	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C	standard polar	2025-10-23	2231.71
Gas Chromatography	AAL-Toxin_TMS_13	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN[Si](C)(C)C	standard polar	2025-10-23	1070.3
Gas Chromatography	AAL-Toxin_TMS_14	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN)O[Si](C)(C)C	standard polar	2025-10-23	2199.62
Gas Chromatography	AAL-Toxin_TMS_15	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN)O[Si](C)(C)C	standard polar	2025-10-23	3353.13
Gas Chromatography	AAL-Toxin_TMS_16	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2163.53
Gas Chromatography	AAL-Toxin_TMS_17	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2288.23
Gas Chromatography	AAL-Toxin_TMS_18	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1980.84
Gas Chromatography	AAL-Toxin_TMS_19	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C	standard polar	2025-10-23	1869.14
Gas Chromatography	AAL-Toxin_TMS_20	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C	standard polar	2025-10-23	1596.8
Gas Chromatography	AAL-Toxin_TMS_21	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2590.14
Gas Chromatography	AAL-Toxin_TMS_22	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2401.72
Gas Chromatography	AAL-Toxin_TMS_23	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN)O[Si](C)(C)C	standard polar	2025-10-23	3457.98
Gas Chromatography	AAL-Toxin_TMS_24	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN)O[Si](C)(C)C	standard polar	2025-10-23	1931.17
Gas Chromatography	AAL-Toxin_TMS_25	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2698.21
Gas Chromatography	AAL-Toxin_TMS_26	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN	standard polar	2025-10-23	507.485
Gas Chromatography	AAL-Toxin_TMS_27	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN[Si](C)(C)C	standard polar	2025-10-23	945.12
Gas Chromatography	AAL-Toxin_TMS_28	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN[Si](C)(C)C	standard polar	2025-10-23	2371.67
Gas Chromatography	AAL-Toxin_TMS_29	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1930.14
Gas Chromatography	AAL-Toxin_TMS_30	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN	standard polar	2025-10-23	3373.5
Gas Chromatography	AAL-Toxin_TMS_31	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN)O[Si](C)(C)C	standard polar	2025-10-23	561.659
Gas Chromatography	AAL-Toxin_TMS_32	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN)O[Si](C)(C)C	standard polar	2025-10-23	1230.23
Gas Chromatography	AAL-Toxin_TMS_33	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C	standard polar	2025-10-23	2460.02
Gas Chromatography	AAL-Toxin_TMS_34	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN[Si](C)(C)C	standard polar	2025-10-23	2113.02
Gas Chromatography	AAL-Toxin_TMS_35	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN)O[Si](C)(C)C	standard polar	2025-10-23	2287.45
Gas Chromatography	AAL-Toxin_TMS_36	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN)O[Si](C)(C)C	standard polar	2025-10-23	1610.64
Gas Chromatography	AAL-Toxin_TMS_37	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C	standard polar	2025-10-23	325.453
Gas Chromatography	AAL-Toxin_TMS_38	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN[Si](C)(C)C	standard polar	2025-10-23	3357.97
Gas Chromatography	AAL-Toxin_TMS_39	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	-284.296
Gas Chromatography	AAL-Toxin_TMS_40	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2417.17
Gas Chromatography	AAL-Toxin_TMS_41	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1767.23
Gas Chromatography	AAL-Toxin_TMS_42	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1010.62
Gas Chromatography	AAL-Toxin_TMS_43	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1297.45
Gas Chromatography	AAL-Toxin_TMS_44	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2451.66
Gas Chromatography	AAL-Toxin_TMS_45	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	389.913
Gas Chromatography	AAL-Toxin_TMS_46	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN)O[Si](C)(C)C	standard polar	2025-10-23	1006.98
Gas Chromatography	AAL-Toxin_TMS_47	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2791.34
Gas Chromatography	AAL-Toxin_TMS_48	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2772.05
Gas Chromatography	AAL-Toxin_TMS_49	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1792.3
Gas Chromatography	AAL-Toxin_TMS_50	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2938.64
Gas Chromatography	AAL-Toxin_TMS_51	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2214.14
Gas Chromatography	AAL-Toxin_TMS_52	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1850.58
Gas Chromatography	AAL-Toxin_TMS_53	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2749.88
Gas Chromatography	AAL-Toxin_TMS_54	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2609.77
Gas Chromatography	AAL-Toxin_TMS_55	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	496.479
Gas Chromatography	AAL-Toxin_TMS_56	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1478.33
Gas Chromatography	AAL-Toxin_TMS_57	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C	standard polar	2025-10-23	1671.48
Gas Chromatography	AAL-Toxin_TMS_58	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2790.4
Gas Chromatography	AAL-Toxin_TMS_59	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	604.716
Gas Chromatography	AAL-Toxin_TMS_60	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2751.24
Gas Chromatography	AAL-Toxin_TMS_61	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1662.18
Gas Chromatography	AAL-Toxin_TMS_62	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2555.02
Gas Chromatography	AAL-Toxin_TMS_63	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1514.44
Gas Chromatography	AAL-Toxin_TMS_64	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN)O[Si](C)(C)C	standard polar	2025-10-23	2383.4
Gas Chromatography	AAL-Toxin_TMS_65	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2948.05
Gas Chromatography	AAL-Toxin_TMS_66	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2111.82
Gas Chromatography	AAL-Toxin_TMS_67	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	3573.75
Gas Chromatography	AAL-Toxin_TMS_68	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN[Si](C)(C)C	standard polar	2025-10-23	3616.51
Gas Chromatography	AAL-Toxin_TMS_69	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2661.34
Gas Chromatography	AAL-Toxin_TMS_70	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	3548.55
Gas Chromatography	AAL-Toxin_TMS_71	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN)O[Si](C)(C)C	standard polar	2025-10-23	1557.05
Gas Chromatography	AAL-Toxin_TMS_72	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN)O[Si](C)(C)C	standard polar	2025-10-23	2663.19
Gas Chromatography	AAL-Toxin_TMS_73	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C	standard polar	2025-10-23	2354.86
Gas Chromatography	AAL-Toxin_TMS_74	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN[Si](C)(C)C	standard polar	2025-10-23	2593.82
Gas Chromatography	AAL-Toxin_TMS_75	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1989.26
Gas Chromatography	AAL-Toxin_TMS_76	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	882.587
Gas Chromatography	AAL-Toxin_TMS_77	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2926.67
Gas Chromatography	AAL-Toxin_TMS_78	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	62.4468
Gas Chromatography	AAL-Toxin_TMS_79	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	3053.38
Gas Chromatography	AAL-Toxin_TMS_80	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2303.68
Gas Chromatography	AAL-Toxin_TMS_81	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2505.61
Gas Chromatography	AAL-Toxin_TMS_82	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2819.34
Gas Chromatography	AAL-Toxin_TMS_83	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2408.13
Gas Chromatography	AAL-Toxin_TMS_84	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2404.64
Gas Chromatography	AAL-Toxin_TMS_85	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1449.38
Gas Chromatography	AAL-Toxin_TMS_86	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1741.47
Gas Chromatography	AAL-Toxin_TMS_87	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2021.81
Gas Chromatography	AAL-Toxin_TMS_88	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2051.7
Gas Chromatography	AAL-Toxin_TMS_89	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1965.18
Gas Chromatography	AAL-Toxin_TMS_90	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2681.28
Gas Chromatography	AAL-Toxin_TMS_91	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1595.0
Gas Chromatography	AAL-Toxin_TMS_92	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1495.39
Gas Chromatography	AAL-Toxin_TMS_93	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2155.22
Gas Chromatography	AAL-Toxin_TMS_94	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1871.88
Gas Chromatography	AAL-Toxin_TMS_95	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	625.522
Gas Chromatography	AAL-Toxin_TMS_96	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	3198.45
Gas Chromatography	AAL-Toxin_TMS_97	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1600.47
Gas Chromatography	AAL-Toxin_TMS_98	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1875.39
Gas Chromatography	AAL-Toxin_TMS_99	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2616.79
Gas Chromatography	AAL-Toxin_TMS_100	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1599.56
Gas Chromatography	AAL-Toxin_TMS_101	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1563.11
Gas Chromatography	AAL-Toxin_TMS_102	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2457.9
Gas Chromatography	AAL-Toxin_TMS_103	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1403.96
Gas Chromatography	AAL-Toxin_TMS_104	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2566.98
Gas Chromatography	AAL-Toxin_TMS_105	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	3073.31
Gas Chromatography	AAL-Toxin_TMS_106	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1870.74
Gas Chromatography	AAL-Toxin_TMS_107	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1606.11
Gas Chromatography	AAL-Toxin_TMS_108	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1554.1
Gas Chromatography	AAL-Toxin_TMS_109	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1186.13
Gas Chromatography	AAL-Toxin_TMS_110	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1426.68
Gas Chromatography	AAL-Toxin_TMS_111	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2153.52
Gas Chromatography	AAL-Toxin_TMS_112	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1205.95
Gas Chromatography	AAL-Toxin_TMS_113	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1577.12
Gas Chromatography	AAL-Toxin_TMS_114	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2286.84
Gas Chromatography	AAL-Toxin_TMS_115	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1529.79
Gas Chromatography	AAL-Toxin_TMS_116	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	911.09
Gas Chromatography	AAL-Toxin_TMS_117	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	3061.96
Gas Chromatography	AAL-Toxin_TMS_118	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	-1751.31
Gas Chromatography	AAL-Toxin_TMS_119	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	3010.83
Gas Chromatography	AAL-Toxin_TMS_120	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2836.86
Gas Chromatography	AAL-Toxin_TMS_121	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1776.55
Gas Chromatography	AAL-Toxin_TMS_122	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	3390.34
Gas Chromatography	AAL-Toxin_TMS_123	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	980.351
Gas Chromatography	AAL-Toxin_TMS_124	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2713.7
Gas Chromatography	AAL-Toxin_TMS_125	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	3132.18
Gas Chromatography	AAL-Toxin_TMS_126	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	4453.86
Gas Chromatography	AAL-Toxin_TMS_127	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2068.35
Gas Chromatography	AAL-Toxin_TMS_128	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1151.34
Gas Chromatography	AAL-Toxin_TMS_129	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1104.17
Gas Chromatography	AAL-Toxin_TMS_130	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2246.38
Gas Chromatography	AAL-Toxin_TMS_131	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	914.528
Gas Chromatography	AAL-Toxin_TMS_132	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	-245.116
Gas Chromatography	AAL-Toxin_TMS_133	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1645.64
Gas Chromatography	AAL-Toxin_TMS_134	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1685.59
Gas Chromatography	AAL-Toxin_TMS_135	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2636.91
Gas Chromatography	AAL-Toxin_TMS_136	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1021.79
Gas Chromatography	AAL-Toxin_TMS_137	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2353.7
Gas Chromatography	AAL-Toxin_TMS_138	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1445.83
Gas Chromatography	AAL-Toxin_TMS_139	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1838.57
Gas Chromatography	AAL-Toxin_TMS_140	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	996.119
Gas Chromatography	AAL-Toxin_TMS_141	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2464.92
Gas Chromatography	AAL-Toxin_TMS_142	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1881.86
Gas Chromatography	AAL-Toxin_TMS_143	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1872.3
Gas Chromatography	AAL-Toxin_TMS_144	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2781.4
Gas Chromatography	AAL-Toxin_TMS_145	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCC[C@@H](O[Si](C)(C)C)[C@H](C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	312.863
Gas Chromatography	AAL-Toxin_TMS_146	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1809.95
Gas Chromatography	AAL-Toxin_TMS_147	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1493.95
Gas Chromatography	AAL-Toxin_TMS_148	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2199.1
Gas Chromatography	AAL-Toxin_TMS_149	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2398.7
Gas Chromatography	AAL-Toxin_TMS_150	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2477.88
Gas Chromatography	AAL-Toxin_TMS_151	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	8.37096
Gas Chromatography	AAL-Toxin_TMS_152	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1939.25
Gas Chromatography	AAL-Toxin_TMS_153	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2669.5
Gas Chromatography	AAL-Toxin_TMS_154	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1764.05
Gas Chromatography	AAL-Toxin_TMS_155	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2004.24
Gas Chromatography	AAL-Toxin_TMS_156	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@H](C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	614.079
Gas Chromatography	AAL-Toxin_TMS_157	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	789.825
Gas Chromatography	AAL-Toxin_TMS_158	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1795.8
Gas Chromatography	AAL-Toxin_TMS_159	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	3696.49
Gas Chromatography	AAL-Toxin_TMS_160	CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	827.661
Gas Chromatography	AAL-Toxin_TMS_161	CCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC(C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2316.55

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; Human supragingival plaque	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

78445645

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139583962

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 AAL-Toxin (MMDBc0003863)

MOL for #<Metabolite:0x00007f9ac6be7ec8>

3D MOL for #<Metabolite:0x00007f9ac6be7ec8>

3D SDF for #<Metabolite:0x00007f9ac6be7ec8>

3D-SDF for #<Metabolite:0x00007f9ac6be7ec8>

PDB for #<Metabolite:0x00007f9ac6be7ec8>

3D PDB for #<Metabolite:0x00007f9ac6be7ec8>

SMILES for #<Metabolite:0x00007f9ac6be7ec8>

INCHI for #<Metabolite:0x00007f9ac6be7ec8>

Structure for #<Metabolite:0x00007f9ac6be7ec8>

3D Structure for #<Metabolite:0x00007f9ac6be7ec8>