MiMeDB: Showing metabocard for Aspergillomarasmine A (MMDBc0009713)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-15 02:08:15 UTC

Update Date

2024-04-30 19:34:17 UTC

Metabolite ID

MMDBc0009713

Metabolite Identification

Common Name

Aspergillomarasmine A

Description

Aspergillomarasmine A is a metabolite of the cereal fungus (Aspergillus flavus), found only in young culture

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0029450
     RDKit          3D
Aspergillomarasmine A
 38 37  0  0  0  0  0  0  0  0999 V2000
   -4.0552   -0.3524    1.8739 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9467    0.1990    0.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4529    0.2236    0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0387   -1.1228    0.2185 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6329   -1.3821   -0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2764   -0.6883    0.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6203   -0.8220    0.6845 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5155   -0.3754   -0.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8775   -0.2173    0.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9715    0.1972   -0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9539    0.3018   -1.6459 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2304    0.5331    0.1746 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2107    0.9738   -0.8357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655    1.6341   -0.2963 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8754    1.5580   -1.8946 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4559   -1.2045   -1.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4607   -0.7815   -2.3051 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6618   -1.4304   -2.3389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5648    1.5165    0.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5986    2.2151   -0.5055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1543    2.0474    1.6858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0346   -0.2853    2.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7671   -1.3505    1.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4371   -0.4921   -0.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9558    0.9147    0.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4611    0.6794   -0.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6061   -1.6923   -0.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5192   -2.4931    0.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0163    0.3934    0.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0093   -1.1788    1.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1355   -0.9791    1.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7774   -1.1274   -1.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7749    0.4557    1.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1253   -1.2507    0.8394 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1737    1.0135    1.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2059    2.4961   -1.7789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1299   -0.7952   -2.9382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6143    2.6686    2.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  8 13  1  0
 13 14  2  0
 13 15  1  0
  5 16  1  0
 16 17  2  0
 16 18  1  0
  2 19  1  0
 19 20  2  0
 19 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  5 28  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  0
  8 32  1  0
  9 33  1  0
  9 34  1  0
 12 35  1  0
 15 36  1  0
 18 37  1  0
 21 38  1  0
M  END


  Mrv0541 02241218232D          

 21 20  0  0  0  0            999 V2000
   -1.4025    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4025    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448    2.2689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7420    2.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004    1.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7420    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7420   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004   -0.6188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7420   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4025   -1.4438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4025    1.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7420    2.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6601    3.0939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4025   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4851   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004   -3.0939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7420   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4025   -3.0939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0009713

> <DATABASE_NAME>
MIME

> <SMILES>
NC(CNC(CNC(CC(O)=O)C(O)=O)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H17N3O8/c11-4(8(16)17)2-12-6(10(20)21)3-13-5(9(18)19)1-7(14)15/h4-6,12-13H,1-3,11H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)

> <INCHI_KEY>
XFTWUNOVBCHBJR-UHFFFAOYSA-N

> <FORMULA>
C10H17N3O8

> <MOLECULAR_WEIGHT>
307.2573

> <EXACT_MASS>
307.101564535

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
27.633888532305054

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-({2-[(2-amino-2-carboxyethyl)amino]-2-carboxyethyl}amino)butanedioic acid

> <ALOGPS_LOGP>
-3.26

> <JCHEM_LOGP>
-8.64871530956822

> <ALOGPS_LOGS>
-1.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.1637444089336615

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.46977378030093364

> <JCHEM_PKA_STRONGEST_BASIC>
9.754139732288973

> <JCHEM_POLAR_SURFACE_AREA>
199.27999999999997

> <JCHEM_REFRACTIVITY>
63.641300000000015

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.80e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-({2-[(2-amino-2-carboxyethyl)amino]-2-carboxyethyl}amino)butanedioic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029450
     RDKit          3D
Aspergillomarasmine A
 38 37  0  0  0  0  0  0  0  0999 V2000
   -4.0552   -0.3524    1.8739 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9467    0.1990    0.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4529    0.2236    0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0387   -1.1228    0.2185 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6329   -1.3821   -0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2764   -0.6883    0.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6203   -0.8220    0.6845 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5155   -0.3754   -0.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8775   -0.2173    0.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9715    0.1972   -0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9539    0.3018   -1.6459 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2304    0.5331    0.1746 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2107    0.9738   -0.8357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655    1.6341   -0.2963 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8754    1.5580   -1.8946 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4559   -1.2045   -1.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4607   -0.7815   -2.3051 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6618   -1.4304   -2.3389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5648    1.5165    0.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5986    2.2151   -0.5055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1543    2.0474    1.6858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0346   -0.2853    2.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7671   -1.3505    1.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4371   -0.4921   -0.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9558    0.9147    0.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4611    0.6794   -0.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6061   -1.6923   -0.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5192   -2.4931    0.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0163    0.3934    0.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0093   -1.1788    1.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1355   -0.9791    1.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7774   -1.1274   -1.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7749    0.4557    1.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1253   -1.2507    0.8394 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1737    1.0135    1.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2059    2.4961   -1.7789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1299   -0.7952   -2.9382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6143    2.6686    2.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  8 13  1  0
 13 14  2  0
 13 15  1  0
  5 16  1  0
 16 17  2  0
 16 18  1  0
  2 19  1  0
 19 20  2  0
 19 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  5 28  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  0
  8 32  1  0
  9 33  1  0
  9 34  1  0
 12 35  1  0
 15 36  1  0
 18 37  1  0
 21 38  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0      -2.618   1.925   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -2.618   3.465   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -4.004   4.235   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -1.385   4.235   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.001   3.465   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -0.001   1.925   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       1.385   1.155   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.385  -0.385   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      -0.001  -1.155   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      -0.001  -2.695   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.385  -3.465   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      -2.618  -2.695   0.000  0.00  0.00           N+0
HETATM   13  O   UNK     0       2.618   3.618   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       1.385   4.235   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       1.232   5.775   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       4.004  -0.385   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       2.618  -1.155   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       2.772  -2.695   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -0.001  -5.775   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -1.385  -5.005   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -2.618  -5.775   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   14                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   17                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   20                                                  
CONECT   12   11                                                            
CONECT   13   14                                                            
CONECT   14    5   13   15                                                  
CONECT   15   14                                                            
CONECT   16   17                                                            
CONECT   17    8   16   18                                                  
CONECT   18   17                                                            
CONECT   19   20                                                            
CONECT   20   11   19   21                                                  
CONECT   21   20                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   40    0
END

COMPND    HMDB0029450
HETATM    1  N1  UNL     1      -4.055  -0.352   1.874  1.00  0.00           N  
HETATM    2  C1  UNL     1      -3.947   0.199   0.557  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.453   0.224   0.160  1.00  0.00           C  
HETATM    4  N2  UNL     1      -2.039  -1.123   0.219  1.00  0.00           N  
HETATM    5  C3  UNL     1      -0.633  -1.382  -0.140  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.276  -0.688   0.802  1.00  0.00           C  
HETATM    7  N3  UNL     1       1.620  -0.822   0.685  1.00  0.00           N  
HETATM    8  C5  UNL     1       2.515  -0.375  -0.277  1.00  0.00           C  
HETATM    9  C6  UNL     1       3.878  -0.217   0.475  1.00  0.00           C  
HETATM   10  C7  UNL     1       4.971   0.197  -0.403  1.00  0.00           C  
HETATM   11  O1  UNL     1       4.954   0.302  -1.646  1.00  0.00           O  
HETATM   12  O2  UNL     1       6.230   0.533   0.175  1.00  0.00           O  
HETATM   13  C8  UNL     1       2.211   0.974  -0.836  1.00  0.00           C  
HETATM   14  O3  UNL     1       1.266   1.634  -0.296  1.00  0.00           O  
HETATM   15  O4  UNL     1       2.875   1.558  -1.895  1.00  0.00           O  
HETATM   16  C9  UNL     1      -0.456  -1.205  -1.583  1.00  0.00           C  
HETATM   17  O5  UNL     1      -1.461  -0.781  -2.305  1.00  0.00           O  
HETATM   18  O6  UNL     1       0.662  -1.430  -2.339  1.00  0.00           O  
HETATM   19  C10 UNL     1      -4.565   1.517   0.525  1.00  0.00           C  
HETATM   20  O7  UNL     1      -4.599   2.215  -0.505  1.00  0.00           O  
HETATM   21  O8  UNL     1      -5.154   2.047   1.686  1.00  0.00           O  
HETATM   22  H1  UNL     1      -5.035  -0.285   2.219  1.00  0.00           H  
HETATM   23  H2  UNL     1      -3.767  -1.351   1.934  1.00  0.00           H  
HETATM   24  H3  UNL     1      -4.437  -0.492  -0.181  1.00  0.00           H  
HETATM   25  H4  UNL     1      -1.956   0.915   0.892  1.00  0.00           H  
HETATM   26  H5  UNL     1      -2.461   0.679  -0.848  1.00  0.00           H  
HETATM   27  H6  UNL     1      -2.606  -1.692  -0.439  1.00  0.00           H  
HETATM   28  H7  UNL     1      -0.519  -2.493   0.058  1.00  0.00           H  
HETATM   29  H8  UNL     1      -0.016   0.393   0.958  1.00  0.00           H  
HETATM   30  H9  UNL     1      -0.009  -1.179   1.830  1.00  0.00           H  
HETATM   31  H10 UNL     1       2.135  -0.979   1.613  1.00  0.00           H  
HETATM   32  H11 UNL     1       2.777  -1.127  -1.063  1.00  0.00           H  
HETATM   33  H12 UNL     1       3.775   0.456   1.332  1.00  0.00           H  
HETATM   34  H13 UNL     1       4.125  -1.251   0.839  1.00  0.00           H  
HETATM   35  H14 UNL     1       6.174   1.014   1.069  1.00  0.00           H  
HETATM   36  H15 UNL     1       3.206   2.496  -1.779  1.00  0.00           H  
HETATM   37  H16 UNL     1       1.130  -0.795  -2.938  1.00  0.00           H  
HETATM   38  H17 UNL     1      -4.614   2.669   2.298  1.00  0.00           H  
CONECT    1    2   22   23
CONECT    2    3   19   24
CONECT    3    4   25   26
CONECT    4    5   27
CONECT    5    6   16   28
CONECT    6    7   29   30
CONECT    7    8   31
CONECT    8    9   13   32
CONECT    9   10   33   34
CONECT   10   11   11   12
CONECT   12   35
CONECT   13   14   14   15
CONECT   15   36
CONECT   16   17   17   18
CONECT   18   37
CONECT   19   20   20   21
CONECT   21   38
END

HMDB0029450
     RDKit          3D
Aspergillomarasmine A
 38 37  0  0  0  0  0  0  0  0999 V2000
   -4.0552   -0.3524    1.8739 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9467    0.1990    0.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4529    0.2236    0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0387   -1.1228    0.2185 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6329   -1.3821   -0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2764   -0.6883    0.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6203   -0.8220    0.6845 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5155   -0.3754   -0.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8775   -0.2173    0.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9715    0.1972   -0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9539    0.3018   -1.6459 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2304    0.5331    0.1746 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2107    0.9738   -0.8357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655    1.6341   -0.2963 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8754    1.5580   -1.8946 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4559   -1.2045   -1.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4607   -0.7815   -2.3051 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6618   -1.4304   -2.3389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5648    1.5165    0.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5986    2.2151   -0.5055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1543    2.0474    1.6858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0346   -0.2853    2.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7671   -1.3505    1.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4371   -0.4921   -0.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9558    0.9147    0.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4611    0.6794   -0.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6061   -1.6923   -0.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5192   -2.4931    0.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0163    0.3934    0.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0093   -1.1788    1.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1355   -0.9791    1.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7774   -1.1274   -1.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7749    0.4557    1.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1253   -1.2507    0.8394 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1737    1.0135    1.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2059    2.4961   -1.7789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1299   -0.7952   -2.9382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6143    2.6686    2.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  8 13  1  0
 13 14  2  0
 13 15  1  0
  5 16  1  0
 16 17  2  0
 16 18  1  0
  2 19  1  0
 19 20  2  0
 19 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  5 28  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  0
  8 32  1  0
  9 33  1  0
  9 34  1  0
 12 35  1  0
 15 36  1  0
 18 37  1  0
 21 38  1  0
M  END

Synonyms

Value	Source
N-[2-(2-Amino-2-carboxyethyl)amino]-2-carboxyaspartic acid, 9ci	HMDB
Toxin C	HMDB
Toxin c (pyrenophora teres)	HMDB
2-({2-[(2-amino-2-carboxyethyl)amino]-2-carboxyethyl}amino)butanedioate	HMDB
Toxin C, pyrenophora teres	HMDB

Molecular Formula

C₁₀H₁₇N₃O₈

Average Mass

307.2573

Monoisotopic Mass

307.101564535

IUPAC Name

2-({2-[(2-amino-2-carboxyethyl)amino]-2-carboxyethyl}amino)butanedioic acid

Traditional Name

2-({2-[(2-amino-2-carboxyethyl)amino]-2-carboxyethyl}amino)butanedioic acid

CAS Registry Number

Not Available

SMILES

NC(CNC(CNC(CC(O)=O)C(O)=O)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C10H17N3O8/c11-4(8(16)17)2-12-6(10(20)21)3-13-5(9(18)19)1-7(14)15/h4-6,12-13H,1-3,11H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)

InChI Key

XFTWUNOVBCHBJR-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Aspartic acid and derivatives

Alternative Parents

Substituents

Aspartic acid or derivatives
Tetracarboxylic acid or derivatives
Alpha-amino acid
Amino acid
Carboxylic acid
Secondary aliphatic amine
Secondary amine
Organic oxygen compound
Amine
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Organopnictogen compound
Organic oxide
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	4.8 g/L	ALOGPS
logP	-3.3	ALOGPS
logP	-8.6	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	0.47	ChemAxon
pKa (Strongest Basic)	9.75	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	199.28 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	63.64 m³·mol⁻¹	ChemAxon
Polarizability	27.63 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 (Non-derivatized) - 70eV, Positive	splash10-02t9-2390000000-d9958cc517c4e0de2cf1	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (4 TMS) - 70eV, Positive	splash10-0059-3110790000-43a9087da14e3aa5843c	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_4_18) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_4_50) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_3_27) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_4_50) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS ("Aspergillomarasmine A,4TMS,#18" TMS) - 70eV, Positive	Not Available	2021-10-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-01r6-2491000000-9a150fa1c5408df79114	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004v-4950000000-11d3f8c297fc06ffeed7	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udi-2900000000-dd1a8570a633ed1046f1	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0bt9-0195000000-1c8bedcb017ce03edb3e	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-02t9-1391000000-d088590819bd5b4eb983	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0079-9840000000-7a7d975a14b681979061	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000l-0091000000-afc168065882a01ca4d6	2021-09-21	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-00dl-9850000000-e963200f409883c333e9	2021-09-21	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-000i-9500000000-e38f67cda594f49a6cd5	2021-09-21	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0a4i-0269000000-329c7b1f6d6007cfab2d	2021-09-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-01ot-0980000000-c83694a56c5876a93766	2021-09-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0zfr-2900000000-999da9869b8cf1962e88	2021-09-25	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 (eluted)	2025-10-23	797.6
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	642.9
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	65.5
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	243.0
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	410.8
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	360.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	516.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	1262.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	1306.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	196.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	597.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	197.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	8.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	715.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	882.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	122.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	471.3
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	891.7
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	705.3

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Aspergillomarasmine A_TMS_1	C[Si](C)(C)OC(=O)CC(NCC(NCC(N)C(=O)O)C(=O)O)C(=O)O	standard non polar	2025-10-23	1715.45
Gas Chromatography	Aspergillomarasmine A_TMS_2	C[Si](C)(C)OC(=O)C(CC(=O)O)NCC(NCC(N)C(=O)O)C(=O)O	standard non polar	2025-10-23	2907.27
Gas Chromatography	Aspergillomarasmine A_TMS_3	C[Si](C)(C)OC(=O)C(CNC(CC(=O)O)C(=O)O)NCC(N)C(=O)O	standard non polar	2025-10-23	2078.74
Gas Chromatography	Aspergillomarasmine A_TMS_4	C[Si](C)(C)OC(=O)C(N)CNC(CNC(CC(=O)O)C(=O)O)C(=O)O	standard non polar	2025-10-23	2387.8
Gas Chromatography	Aspergillomarasmine A_TMS_5	C[Si](C)(C)NC(CNC(CNC(CC(=O)O)C(=O)O)C(=O)O)C(=O)O	standard non polar	2025-10-23	1535.59
Gas Chromatography	Aspergillomarasmine A_TMS_6	C[Si](C)(C)N(CC(N)C(=O)O)C(CNC(CC(=O)O)C(=O)O)C(=O)O	standard non polar	2025-10-23	1872.77
Gas Chromatography	Aspergillomarasmine A_TMS_7	C[Si](C)(C)N(CC(NCC(N)C(=O)O)C(=O)O)C(CC(=O)O)C(=O)O	standard non polar	2025-10-23	2026.73
Gas Chromatography	Aspergillomarasmine A_TMS_8	C[Si](C)(C)OC(=O)CC(NCC(NCC(N)C(=O)O[Si](C)(C)C)C(=O)O)C(=O)O	standard non polar	2025-10-23	2207.81
Gas Chromatography	Aspergillomarasmine A_TMS_9	C[Si](C)(C)OC(=O)CC(NCC(NCC(N)C(=O)O)C(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1881.59
Gas Chromatography	Aspergillomarasmine A_TMS_10	C[Si](C)(C)OC(=O)CC(NCC(NCC(N)C(=O)O)C(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2109.5
Gas Chromatography	Aspergillomarasmine A_TMS_11	C[Si](C)(C)NC(CNC(CNC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O)C(=O)O	standard non polar	2025-10-23	1834.75
Gas Chromatography	Aspergillomarasmine A_TMS_12	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(NCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2109.25
Gas Chromatography	Aspergillomarasmine A_TMS_13	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O)N(CC(N)C(=O)O)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1608.38
Gas Chromatography	Aspergillomarasmine A_TMS_14	C[Si](C)(C)OC(=O)C(N)CNC(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2186.67
Gas Chromatography	Aspergillomarasmine A_TMS_15	C[Si](C)(C)OC(=O)C(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)NCC(N)C(=O)O	standard non polar	2025-10-23	2165.02
Gas Chromatography	Aspergillomarasmine A_TMS_16	C[Si](C)(C)NC(CNC(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O)C(=O)O	standard non polar	2025-10-23	2088.18
Gas Chromatography	Aspergillomarasmine A_TMS_17	C[Si](C)(C)OC(=O)C(CC(=O)O)N(CC(NCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1585.81
Gas Chromatography	Aspergillomarasmine A_TMS_18	C[Si](C)(C)OC(=O)C(CC(=O)O)NCC(C(=O)O)N(CC(N)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2340.17
Gas Chromatography	Aspergillomarasmine A_TMS_19	C[Si](C)(C)OC(=O)C(N)CNC(CNC(CC(=O)O)C(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2000.97
Gas Chromatography	Aspergillomarasmine A_TMS_20	C[Si](C)(C)NC(CNC(CNC(CC(=O)O)C(=O)O)C(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1732.58
Gas Chromatography	Aspergillomarasmine A_TMS_21	C[Si](C)(C)OC(=O)C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)NCC(N)C(=O)O	standard non polar	2025-10-23	2049.77
Gas Chromatography	Aspergillomarasmine A_TMS_22	C[Si](C)(C)OC(=O)C(CNC(CC(=O)O)C(=O)O)N(CC(N)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1787.83
Gas Chromatography	Aspergillomarasmine A_TMS_23	C[Si](C)(C)NC(CNC(CNC(CC(=O)O)C(=O)O)C(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1359.47
Gas Chromatography	Aspergillomarasmine A_TMS_24	C[Si](C)(C)OC(=O)C(N)CN(C(CNC(CC(=O)O)C(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2063.58
Gas Chromatography	Aspergillomarasmine A_TMS_25	C[Si](C)(C)OC(=O)C(N)CNC(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1268.32
Gas Chromatography	Aspergillomarasmine A_TMS_26	C[Si](C)(C)N(C(CNC(CNC(CC(=O)O)C(=O)O)C(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2120.76
Gas Chromatography	Aspergillomarasmine A_TMS_27	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O)C(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1962.02
Gas Chromatography	Aspergillomarasmine A_TMS_28	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O)C(=O)O	standard non polar	2025-10-23	1875.84
Gas Chromatography	Aspergillomarasmine A_TMS_29	C[Si](C)(C)N(CC(N)C(=O)O)C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1495.39
Gas Chromatography	Aspergillomarasmine A_TMS_30	C[Si](C)(C)OC(=O)CC(NCC(NCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2749.21
Gas Chromatography	Aspergillomarasmine A_TMS_31	C[Si](C)(C)OC(=O)CC(NCC(NCC(N)C(=O)O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2395.26
Gas Chromatography	Aspergillomarasmine A_TMS_32	C[Si](C)(C)NC(CNC(CNC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1278.69
Gas Chromatography	Aspergillomarasmine A_TMS_33	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(NCC(N)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2263.16
Gas Chromatography	Aspergillomarasmine A_TMS_34	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O)N(CC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2226.65
Gas Chromatography	Aspergillomarasmine A_TMS_35	C[Si](C)(C)OC(=O)CC(NCC(NCC(N)C(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1951.49
Gas Chromatography	Aspergillomarasmine A_TMS_36	C[Si](C)(C)NC(CNC(CNC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2768.56
Gas Chromatography	Aspergillomarasmine A_TMS_37	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(NCC(N)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1818.48
Gas Chromatography	Aspergillomarasmine A_TMS_38	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O[Si](C)(C)C)N(CC(N)C(=O)O)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2022.67
Gas Chromatography	Aspergillomarasmine A_TMS_39	C[Si](C)(C)NC(CNC(CNC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O)C(=O)O	standard non polar	2025-10-23	1722.69
Gas Chromatography	Aspergillomarasmine A_TMS_40	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(NCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2288.38
Gas Chromatography	Aspergillomarasmine A_TMS_41	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O)N(CC(N)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1644.53
Gas Chromatography	Aspergillomarasmine A_TMS_42	C[Si](C)(C)OC(=O)CC(NCC(NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O	standard non polar	2025-10-23	2579.8
Gas Chromatography	Aspergillomarasmine A_TMS_43	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2490.83
Gas Chromatography	Aspergillomarasmine A_TMS_44	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O)C(=O)O	standard non polar	2025-10-23	1490.74
Gas Chromatography	Aspergillomarasmine A_TMS_45	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(C(=O)O)N(CC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1978.64
Gas Chromatography	Aspergillomarasmine A_TMS_46	C[Si](C)(C)OC(=O)C(N)CNC(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2072.95
Gas Chromatography	Aspergillomarasmine A_TMS_47	C[Si](C)(C)NC(CNC(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2165.44
Gas Chromatography	Aspergillomarasmine A_TMS_48	C[Si](C)(C)OC(=O)C(N)CN(C(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1847.2
Gas Chromatography	Aspergillomarasmine A_TMS_49	C[Si](C)(C)OC(=O)C(N)CNC(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1999.17
Gas Chromatography	Aspergillomarasmine A_TMS_50	C[Si](C)(C)NC(CNC(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2156.8
Gas Chromatography	Aspergillomarasmine A_TMS_51	C[Si](C)(C)OC(=O)C(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)NCC(N)C(=O)O	standard non polar	2025-10-23	1930.07
Gas Chromatography	Aspergillomarasmine A_TMS_52	C[Si](C)(C)OC(=O)C(CC(=O)O)NCC(C(=O)O[Si](C)(C)C)N(CC(N)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2800.14
Gas Chromatography	Aspergillomarasmine A_TMS_53	C[Si](C)(C)OC(=O)C(CC(=O)O)NCC(NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1467.33
Gas Chromatography	Aspergillomarasmine A_TMS_54	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2834.46
Gas Chromatography	Aspergillomarasmine A_TMS_55	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O	standard non polar	2025-10-23	2077.07
Gas Chromatography	Aspergillomarasmine A_TMS_56	C[Si](C)(C)OC(=O)C(CC(=O)O)N(CC(C(=O)O)N(CC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2542.7
Gas Chromatography	Aspergillomarasmine A_TMS_57	C[Si](C)(C)NC(CNC(CNC(CC(=O)O)C(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1713.4
Gas Chromatography	Aspergillomarasmine A_TMS_58	C[Si](C)(C)OC(=O)C(N)CN(C(CNC(CC(=O)O)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1862.91
Gas Chromatography	Aspergillomarasmine A_TMS_59	C[Si](C)(C)OC(=O)C(N)CNC(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1959.9
Gas Chromatography	Aspergillomarasmine A_TMS_60	C[Si](C)(C)OC(=O)C(CNC(CC(=O)O)C(=O)O)NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1827.86
Gas Chromatography	Aspergillomarasmine A_TMS_61	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1960.18
Gas Chromatography	Aspergillomarasmine A_TMS_62	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2194.96
Gas Chromatography	Aspergillomarasmine A_TMS_63	C[Si](C)(C)OC(=O)C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)N(CC(N)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1465.45
Gas Chromatography	Aspergillomarasmine A_TMS_64	C[Si](C)(C)OC(=O)C(CNC(CNC(CC(=O)O)C(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2562.21
Gas Chromatography	Aspergillomarasmine A_TMS_65	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O)C(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1823.02
Gas Chromatography	Aspergillomarasmine A_TMS_66	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2034.13
Gas Chromatography	Aspergillomarasmine A_TMS_67	C[Si](C)(C)OC(=O)C(N)CN(C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1905.76
Gas Chromatography	Aspergillomarasmine A_TMS_68	C[Si](C)(C)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CNC(CC(=O)O)C(=O)O)C(=O)O	standard non polar	2025-10-23	1693.64
Gas Chromatography	Aspergillomarasmine A_TMS_69	C[Si](C)(C)N(CC(NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(CC(=O)O)C(=O)O	standard non polar	2025-10-23	1684.29
Gas Chromatography	Aspergillomarasmine A_TMS_70	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1865.06
Gas Chromatography	Aspergillomarasmine A_TMS_71	C[Si](C)(C)OC(=O)CC(NCC(NCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2845.23
Gas Chromatography	Aspergillomarasmine A_TMS_72	C[Si](C)(C)NC(CNC(CNC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1869.59
Gas Chromatography	Aspergillomarasmine A_TMS_73	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(NCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2227.39
Gas Chromatography	Aspergillomarasmine A_TMS_74	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O[Si](C)(C)C)N(CC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2240.18
Gas Chromatography	Aspergillomarasmine A_TMS_75	C[Si](C)(C)NC(CNC(CNC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2526.61
Gas Chromatography	Aspergillomarasmine A_TMS_76	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(NCC(N)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2287.63
Gas Chromatography	Aspergillomarasmine A_TMS_77	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O)N(CC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2291.9
Gas Chromatography	Aspergillomarasmine A_TMS_78	C[Si](C)(C)OC(=O)CC(NCC(NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O	standard non polar	2025-10-23	1964.43
Gas Chromatography	Aspergillomarasmine A_TMS_79	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2255.62
Gas Chromatography	Aspergillomarasmine A_TMS_80	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1252.23
Gas Chromatography	Aspergillomarasmine A_TMS_81	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(C(=O)O)N(CC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1687.3
Gas Chromatography	Aspergillomarasmine A_TMS_82	C[Si](C)(C)NC(CNC(CNC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2039.54
Gas Chromatography	Aspergillomarasmine A_TMS_83	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(NCC(N)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	3031.01
Gas Chromatography	Aspergillomarasmine A_TMS_84	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O[Si](C)(C)C)N(CC(N)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2234.59
Gas Chromatography	Aspergillomarasmine A_TMS_85	C[Si](C)(C)OC(=O)CC(NCC(NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1345.1
Gas Chromatography	Aspergillomarasmine A_TMS_86	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1489.48
Gas Chromatography	Aspergillomarasmine A_TMS_87	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	973.134
Gas Chromatography	Aspergillomarasmine A_TMS_88	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(C(=O)O[Si](C)(C)C)N(CC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2270.62
Gas Chromatography	Aspergillomarasmine A_TMS_89	C[Si](C)(C)OC(=O)CC(NCC(NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1863.79
Gas Chromatography	Aspergillomarasmine A_TMS_90	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2022.69
Gas Chromatography	Aspergillomarasmine A_TMS_91	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O	standard non polar	2025-10-23	2241.12
Gas Chromatography	Aspergillomarasmine A_TMS_92	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O)N(CC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1145.41
Gas Chromatography	Aspergillomarasmine A_TMS_93	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1939.01
Gas Chromatography	Aspergillomarasmine A_TMS_94	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2163.72
Gas Chromatography	Aspergillomarasmine A_TMS_95	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2047.05
Gas Chromatography	Aspergillomarasmine A_TMS_96	C[Si](C)(C)NC(CNC(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2762.04
Gas Chromatography	Aspergillomarasmine A_TMS_97	C[Si](C)(C)OC(=O)C(N)CN(C(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2022.31
Gas Chromatography	Aspergillomarasmine A_TMS_98	C[Si](C)(C)OC(=O)C(N)CNC(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2427.62
Gas Chromatography	Aspergillomarasmine A_TMS_99	C[Si](C)(C)OC(=O)C(CC(=O)O)NCC(NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2552.67
Gas Chromatography	Aspergillomarasmine A_TMS_100	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1381.93
Gas Chromatography	Aspergillomarasmine A_TMS_101	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	755.479
Gas Chromatography	Aspergillomarasmine A_TMS_102	C[Si](C)(C)OC(=O)C(N)CN(C(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1959.96
Gas Chromatography	Aspergillomarasmine A_TMS_103	C[Si](C)(C)OC(=O)C(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2078.43
Gas Chromatography	Aspergillomarasmine A_TMS_104	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1205.9
Gas Chromatography	Aspergillomarasmine A_TMS_105	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2142.13
Gas Chromatography	Aspergillomarasmine A_TMS_106	C[Si](C)(C)OC(=O)C(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(CC(N)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	2376.63
Gas Chromatography	Aspergillomarasmine A_TMS_107	C[Si](C)(C)OC(=O)C(CC(=O)O)N(CC(NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1333.03
Gas Chromatography	Aspergillomarasmine A_TMS_108	C[Si](C)(C)OC(=O)C(CC(=O)O)NCC(C(=O)O)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1924.15
Gas Chromatography	Aspergillomarasmine A_TMS_109	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1939.8
Gas Chromatography	Aspergillomarasmine A_TMS_110	C[Si](C)(C)OC(=O)C(CNC(CC(=O)O)C(=O)O)NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2696.46
Gas Chromatography	Aspergillomarasmine A_TMS_111	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2257.58
Gas Chromatography	Aspergillomarasmine A_TMS_112	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2703.72
Gas Chromatography	Aspergillomarasmine A_TMS_113	C[Si](C)(C)OC(=O)C(N)CN(C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1499.75
Gas Chromatography	Aspergillomarasmine A_TMS_114	C[Si](C)(C)OC(=O)C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2056.59
Gas Chromatography	Aspergillomarasmine A_TMS_115	C[Si](C)(C)OC(=O)C(CNC(CC(=O)O)C(=O)O)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2206.25
Gas Chromatography	Aspergillomarasmine A_TMS_116	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1270.16
Gas Chromatography	Aspergillomarasmine A_TMS_117	C[Si](C)(C)OC(=O)C(CN(C(CNC(CC(=O)O)C(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1291.88
Gas Chromatography	Aspergillomarasmine A_TMS_118	C[Si](C)(C)OC(=O)C(CNC(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1840.53
Gas Chromatography	Aspergillomarasmine A_TMS_119	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2614.54
Gas Chromatography	Aspergillomarasmine A_TMS_120	C[Si](C)(C)N(CC(C(=O)O)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CC(=O)O)C(=O)O	standard non polar	2025-10-23	1856.29
Gas Chromatography	Aspergillomarasmine A_TMS_121	C[Si](C)(C)NC(CNC(CNC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1180.48
Gas Chromatography	Aspergillomarasmine A_TMS_122	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(NCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2488.11
Gas Chromatography	Aspergillomarasmine A_TMS_123	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O[Si](C)(C)C)N(CC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1938.19
Gas Chromatography	Aspergillomarasmine A_TMS_124	C[Si](C)(C)OC(=O)CC(NCC(NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2073.4
Gas Chromatography	Aspergillomarasmine A_TMS_125	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1231.81
Gas Chromatography	Aspergillomarasmine A_TMS_126	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1380.02
Gas Chromatography	Aspergillomarasmine A_TMS_127	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(C(=O)O[Si](C)(C)C)N(CC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1805.92
Gas Chromatography	Aspergillomarasmine A_TMS_128	C[Si](C)(C)OC(=O)CC(NCC(NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1984.97
Gas Chromatography	Aspergillomarasmine A_TMS_129	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1439.37
Gas Chromatography	Aspergillomarasmine A_TMS_130	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1584.24
Gas Chromatography	Aspergillomarasmine A_TMS_131	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O)N(CC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2384.84
Gas Chromatography	Aspergillomarasmine A_TMS_132	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1455.56
Gas Chromatography	Aspergillomarasmine A_TMS_133	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1136.16
Gas Chromatography	Aspergillomarasmine A_TMS_134	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2258.55
Gas Chromatography	Aspergillomarasmine A_TMS_135	C[Si](C)(C)OC(=O)CC(NCC(NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2157.26
Gas Chromatography	Aspergillomarasmine A_TMS_136	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2003.05
Gas Chromatography	Aspergillomarasmine A_TMS_137	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1967.22
Gas Chromatography	Aspergillomarasmine A_TMS_138	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O[Si](C)(C)C)N(CC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2032.68
Gas Chromatography	Aspergillomarasmine A_TMS_139	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2412.3
Gas Chromatography	Aspergillomarasmine A_TMS_140	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	562.909
Gas Chromatography	Aspergillomarasmine A_TMS_141	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2008.98
Gas Chromatography	Aspergillomarasmine A_TMS_142	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1588.33
Gas Chromatography	Aspergillomarasmine A_TMS_143	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2334.43
Gas Chromatography	Aspergillomarasmine A_TMS_144	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1067.86
Gas Chromatography	Aspergillomarasmine A_TMS_145	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(C(=O)O)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1919.59
Gas Chromatography	Aspergillomarasmine A_TMS_146	C[Si](C)(C)OC(=O)C(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1641.94
Gas Chromatography	Aspergillomarasmine A_TMS_147	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2418.43
Gas Chromatography	Aspergillomarasmine A_TMS_148	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1726.15
Gas Chromatography	Aspergillomarasmine A_TMS_149	C[Si](C)(C)OC(=O)C(N)CN(C(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2360.26
Gas Chromatography	Aspergillomarasmine A_TMS_150	C[Si](C)(C)OC(=O)C(CC(=O)O)N(CC(NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1302.82
Gas Chromatography	Aspergillomarasmine A_TMS_151	C[Si](C)(C)OC(=O)C(CC(=O)O)NCC(C(=O)O)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1293.87
Gas Chromatography	Aspergillomarasmine A_TMS_152	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1715.71
Gas Chromatography	Aspergillomarasmine A_TMS_153	C[Si](C)(C)OC(=O)C(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2305.27
Gas Chromatography	Aspergillomarasmine A_TMS_154	C[Si](C)(C)OC(=O)C(CC(=O)O)NCC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1942.0
Gas Chromatography	Aspergillomarasmine A_TMS_155	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1046.6
Gas Chromatography	Aspergillomarasmine A_TMS_156	C[Si](C)(C)OC(=O)C(CC(=O)O)N(CC(C(=O)O)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	3392.28
Gas Chromatography	Aspergillomarasmine A_TMS_157	C[Si](C)(C)OC(=O)C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2527.73
Gas Chromatography	Aspergillomarasmine A_TMS_158	C[Si](C)(C)OC(=O)C(CNC(CC(=O)O)C(=O)O)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1957.64
Gas Chromatography	Aspergillomarasmine A_TMS_159	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1975.34
Gas Chromatography	Aspergillomarasmine A_TMS_160	C[Si](C)(C)OC(=O)C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2073.94
Gas Chromatography	Aspergillomarasmine A_TMS_161	C[Si](C)(C)OC(=O)C(CN(C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2680.67
Gas Chromatography	Aspergillomarasmine A_TMS_162	C[Si](C)(C)OC(=O)CC(NCC(NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2756.66
Gas Chromatography	Aspergillomarasmine A_TMS_163	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2614.26
Gas Chromatography	Aspergillomarasmine A_TMS_164	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1638.44
Gas Chromatography	Aspergillomarasmine A_TMS_165	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O[Si](C)(C)C)N(CC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1683.58
Gas Chromatography	Aspergillomarasmine A_TMS_166	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2174.01
Gas Chromatography	Aspergillomarasmine A_TMS_167	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2979.36
Gas Chromatography	Aspergillomarasmine A_TMS_168	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2562.94
Gas Chromatography	Aspergillomarasmine A_TMS_169	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard non polar	2025-10-23	1630.79
Gas Chromatography	Aspergillomarasmine A_TMS_170	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	960.12
Gas Chromatography	Aspergillomarasmine A_TMS_171	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2082.18
Gas Chromatography	Aspergillomarasmine A_TMS_172	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(C(=O)O)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2577.76
Gas Chromatography	Aspergillomarasmine A_TMS_173	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	3557.72
Gas Chromatography	Aspergillomarasmine A_TMS_174	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1517.74
Gas Chromatography	Aspergillomarasmine A_TMS_175	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1489.86
Gas Chromatography	Aspergillomarasmine A_TMS_176	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2118.3
Gas Chromatography	Aspergillomarasmine A_TMS_177	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2514.51
Gas Chromatography	Aspergillomarasmine A_TMS_178	C[Si](C)(C)OC(=O)C(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	980.944
Gas Chromatography	Aspergillomarasmine A_TMS_179	C[Si](C)(C)OC(=O)C(CC(=O)O)NCC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1998.65
Gas Chromatography	Aspergillomarasmine A_TMS_180	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1165.28
Gas Chromatography	Aspergillomarasmine A_TMS_181	C[Si](C)(C)OC(=O)C(CC(=O)O)N(CC(C(=O)O)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1722.07
Gas Chromatography	Aspergillomarasmine A_TMS_182	C[Si](C)(C)OC(=O)C(CC(=O)O)N(CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2000.06
Gas Chromatography	Aspergillomarasmine A_TMS_183	C[Si](C)(C)OC(=O)C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2442.58
Gas Chromatography	Aspergillomarasmine A_TMS_184	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1990.94
Gas Chromatography	Aspergillomarasmine A_TMS_185	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2177.9
Gas Chromatography	Aspergillomarasmine A_TMS_186	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1915.36
Gas Chromatography	Aspergillomarasmine A_TMS_187	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2332.64
Gas Chromatography	Aspergillomarasmine A_TMS_188	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	-3.14596
Gas Chromatography	Aspergillomarasmine A_TMS_189	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	7.87473
Gas Chromatography	Aspergillomarasmine A_TMS_190	C[Si](C)(C)OC(=O)C(CC(=O)O)N(CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2478.52
Gas Chromatography	Aspergillomarasmine A_TMS_191	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1546.74
Gas Chromatography	Aspergillomarasmine A_TMS_1	C[Si](C)(C)OC(=O)CC(NCC(NCC(N)C(=O)O)C(=O)O)C(=O)O	standard polar	2025-10-23	2643.19
Gas Chromatography	Aspergillomarasmine A_TMS_2	C[Si](C)(C)OC(=O)C(CC(=O)O)NCC(NCC(N)C(=O)O)C(=O)O	standard polar	2025-10-23	2096.37
Gas Chromatography	Aspergillomarasmine A_TMS_3	C[Si](C)(C)OC(=O)C(CNC(CC(=O)O)C(=O)O)NCC(N)C(=O)O	standard polar	2025-10-23	2399.15
Gas Chromatography	Aspergillomarasmine A_TMS_4	C[Si](C)(C)OC(=O)C(N)CNC(CNC(CC(=O)O)C(=O)O)C(=O)O	standard polar	2025-10-23	2436.37
Gas Chromatography	Aspergillomarasmine A_TMS_5	C[Si](C)(C)NC(CNC(CNC(CC(=O)O)C(=O)O)C(=O)O)C(=O)O	standard polar	2025-10-23	2417.56
Gas Chromatography	Aspergillomarasmine A_TMS_6	C[Si](C)(C)N(CC(N)C(=O)O)C(CNC(CC(=O)O)C(=O)O)C(=O)O	standard polar	2025-10-23	2096.48
Gas Chromatography	Aspergillomarasmine A_TMS_7	C[Si](C)(C)N(CC(NCC(N)C(=O)O)C(=O)O)C(CC(=O)O)C(=O)O	standard polar	2025-10-23	1266.08
Gas Chromatography	Aspergillomarasmine A_TMS_8	C[Si](C)(C)OC(=O)CC(NCC(NCC(N)C(=O)O[Si](C)(C)C)C(=O)O)C(=O)O	standard polar	2025-10-23	2107.73
Gas Chromatography	Aspergillomarasmine A_TMS_9	C[Si](C)(C)OC(=O)CC(NCC(NCC(N)C(=O)O)C(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2303.13
Gas Chromatography	Aspergillomarasmine A_TMS_10	C[Si](C)(C)OC(=O)CC(NCC(NCC(N)C(=O)O)C(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1773.34
Gas Chromatography	Aspergillomarasmine A_TMS_11	C[Si](C)(C)NC(CNC(CNC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O)C(=O)O	standard polar	2025-10-23	2323.38
Gas Chromatography	Aspergillomarasmine A_TMS_12	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(NCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2476.34
Gas Chromatography	Aspergillomarasmine A_TMS_13	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O)N(CC(N)C(=O)O)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1418.18
Gas Chromatography	Aspergillomarasmine A_TMS_14	C[Si](C)(C)OC(=O)C(N)CNC(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2431.0
Gas Chromatography	Aspergillomarasmine A_TMS_15	C[Si](C)(C)OC(=O)C(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)NCC(N)C(=O)O	standard polar	2025-10-23	1938.31
Gas Chromatography	Aspergillomarasmine A_TMS_16	C[Si](C)(C)NC(CNC(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O)C(=O)O	standard polar	2025-10-23	2721.5
Gas Chromatography	Aspergillomarasmine A_TMS_17	C[Si](C)(C)OC(=O)C(CC(=O)O)N(CC(NCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2081.28
Gas Chromatography	Aspergillomarasmine A_TMS_18	C[Si](C)(C)OC(=O)C(CC(=O)O)NCC(C(=O)O)N(CC(N)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2394.21
Gas Chromatography	Aspergillomarasmine A_TMS_19	C[Si](C)(C)OC(=O)C(N)CNC(CNC(CC(=O)O)C(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2646.13
Gas Chromatography	Aspergillomarasmine A_TMS_20	C[Si](C)(C)NC(CNC(CNC(CC(=O)O)C(=O)O)C(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2062.92
Gas Chromatography	Aspergillomarasmine A_TMS_21	C[Si](C)(C)OC(=O)C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)NCC(N)C(=O)O	standard polar	2025-10-23	2469.07
Gas Chromatography	Aspergillomarasmine A_TMS_22	C[Si](C)(C)OC(=O)C(CNC(CC(=O)O)C(=O)O)N(CC(N)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2140.8
Gas Chromatography	Aspergillomarasmine A_TMS_23	C[Si](C)(C)NC(CNC(CNC(CC(=O)O)C(=O)O)C(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2394.29
Gas Chromatography	Aspergillomarasmine A_TMS_24	C[Si](C)(C)OC(=O)C(N)CN(C(CNC(CC(=O)O)C(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2475.59
Gas Chromatography	Aspergillomarasmine A_TMS_25	C[Si](C)(C)OC(=O)C(N)CNC(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2352.08
Gas Chromatography	Aspergillomarasmine A_TMS_26	C[Si](C)(C)N(C(CNC(CNC(CC(=O)O)C(=O)O)C(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1661.47
Gas Chromatography	Aspergillomarasmine A_TMS_27	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O)C(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2526.9
Gas Chromatography	Aspergillomarasmine A_TMS_28	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O)C(=O)O	standard polar	2025-10-23	1049.35
Gas Chromatography	Aspergillomarasmine A_TMS_29	C[Si](C)(C)N(CC(N)C(=O)O)C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1579.44
Gas Chromatography	Aspergillomarasmine A_TMS_30	C[Si](C)(C)OC(=O)CC(NCC(NCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2838.38
Gas Chromatography	Aspergillomarasmine A_TMS_31	C[Si](C)(C)OC(=O)CC(NCC(NCC(N)C(=O)O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1798.88
Gas Chromatography	Aspergillomarasmine A_TMS_32	C[Si](C)(C)NC(CNC(CNC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2081.01
Gas Chromatography	Aspergillomarasmine A_TMS_33	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(NCC(N)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2582.77
Gas Chromatography	Aspergillomarasmine A_TMS_34	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O)N(CC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2709.17
Gas Chromatography	Aspergillomarasmine A_TMS_35	C[Si](C)(C)OC(=O)CC(NCC(NCC(N)C(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1678.09
Gas Chromatography	Aspergillomarasmine A_TMS_36	C[Si](C)(C)NC(CNC(CNC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2129.5
Gas Chromatography	Aspergillomarasmine A_TMS_37	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(NCC(N)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1625.41
Gas Chromatography	Aspergillomarasmine A_TMS_38	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O[Si](C)(C)C)N(CC(N)C(=O)O)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2512.59
Gas Chromatography	Aspergillomarasmine A_TMS_39	C[Si](C)(C)NC(CNC(CNC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O)C(=O)O	standard polar	2025-10-23	1692.14
Gas Chromatography	Aspergillomarasmine A_TMS_40	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(NCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1651.64
Gas Chromatography	Aspergillomarasmine A_TMS_41	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O)N(CC(N)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2053.35
Gas Chromatography	Aspergillomarasmine A_TMS_42	C[Si](C)(C)OC(=O)CC(NCC(NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O	standard polar	2025-10-23	2150.86
Gas Chromatography	Aspergillomarasmine A_TMS_43	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2742.21
Gas Chromatography	Aspergillomarasmine A_TMS_44	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O)C(=O)O	standard polar	2025-10-23	1452.28
Gas Chromatography	Aspergillomarasmine A_TMS_45	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(C(=O)O)N(CC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2118.94
Gas Chromatography	Aspergillomarasmine A_TMS_46	C[Si](C)(C)OC(=O)C(N)CNC(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1671.66
Gas Chromatography	Aspergillomarasmine A_TMS_47	C[Si](C)(C)NC(CNC(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1715.46
Gas Chromatography	Aspergillomarasmine A_TMS_48	C[Si](C)(C)OC(=O)C(N)CN(C(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2011.46
Gas Chromatography	Aspergillomarasmine A_TMS_49	C[Si](C)(C)OC(=O)C(N)CNC(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1732.31
Gas Chromatography	Aspergillomarasmine A_TMS_50	C[Si](C)(C)NC(CNC(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2090.95
Gas Chromatography	Aspergillomarasmine A_TMS_51	C[Si](C)(C)OC(=O)C(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)NCC(N)C(=O)O	standard polar	2025-10-23	3137.06
Gas Chromatography	Aspergillomarasmine A_TMS_52	C[Si](C)(C)OC(=O)C(CC(=O)O)NCC(C(=O)O[Si](C)(C)C)N(CC(N)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2024.54
Gas Chromatography	Aspergillomarasmine A_TMS_53	C[Si](C)(C)OC(=O)C(CC(=O)O)NCC(NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2122.41
Gas Chromatography	Aspergillomarasmine A_TMS_54	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1913.79
Gas Chromatography	Aspergillomarasmine A_TMS_55	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O	standard polar	2025-10-23	2364.67
Gas Chromatography	Aspergillomarasmine A_TMS_56	C[Si](C)(C)OC(=O)C(CC(=O)O)N(CC(C(=O)O)N(CC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2342.25
Gas Chromatography	Aspergillomarasmine A_TMS_57	C[Si](C)(C)NC(CNC(CNC(CC(=O)O)C(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1936.16
Gas Chromatography	Aspergillomarasmine A_TMS_58	C[Si](C)(C)OC(=O)C(N)CN(C(CNC(CC(=O)O)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2292.36
Gas Chromatography	Aspergillomarasmine A_TMS_59	C[Si](C)(C)OC(=O)C(N)CNC(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1965.58
Gas Chromatography	Aspergillomarasmine A_TMS_60	C[Si](C)(C)OC(=O)C(CNC(CC(=O)O)C(=O)O)NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1846.83
Gas Chromatography	Aspergillomarasmine A_TMS_61	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2443.98
Gas Chromatography	Aspergillomarasmine A_TMS_62	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1751.37
Gas Chromatography	Aspergillomarasmine A_TMS_63	C[Si](C)(C)OC(=O)C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)N(CC(N)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1338.28
Gas Chromatography	Aspergillomarasmine A_TMS_64	C[Si](C)(C)OC(=O)C(CNC(CNC(CC(=O)O)C(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2480.3
Gas Chromatography	Aspergillomarasmine A_TMS_65	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O)C(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1395.05
Gas Chromatography	Aspergillomarasmine A_TMS_66	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1781.77
Gas Chromatography	Aspergillomarasmine A_TMS_67	C[Si](C)(C)OC(=O)C(N)CN(C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2319.73
Gas Chromatography	Aspergillomarasmine A_TMS_68	C[Si](C)(C)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CNC(CC(=O)O)C(=O)O)C(=O)O	standard polar	2025-10-23	1633.7
Gas Chromatography	Aspergillomarasmine A_TMS_69	C[Si](C)(C)N(CC(NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(CC(=O)O)C(=O)O	standard polar	2025-10-23	2034.65
Gas Chromatography	Aspergillomarasmine A_TMS_70	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1986.08
Gas Chromatography	Aspergillomarasmine A_TMS_71	C[Si](C)(C)OC(=O)CC(NCC(NCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2537.32
Gas Chromatography	Aspergillomarasmine A_TMS_72	C[Si](C)(C)NC(CNC(CNC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1143.61
Gas Chromatography	Aspergillomarasmine A_TMS_73	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(NCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1326.21
Gas Chromatography	Aspergillomarasmine A_TMS_74	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O[Si](C)(C)C)N(CC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2893.38
Gas Chromatography	Aspergillomarasmine A_TMS_75	C[Si](C)(C)NC(CNC(CNC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2037.7
Gas Chromatography	Aspergillomarasmine A_TMS_76	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(NCC(N)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1922.77
Gas Chromatography	Aspergillomarasmine A_TMS_77	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O)N(CC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2008.15
Gas Chromatography	Aspergillomarasmine A_TMS_78	C[Si](C)(C)OC(=O)CC(NCC(NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O	standard polar	2025-10-23	2185.37
Gas Chromatography	Aspergillomarasmine A_TMS_79	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2511.74
Gas Chromatography	Aspergillomarasmine A_TMS_80	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	906.38
Gas Chromatography	Aspergillomarasmine A_TMS_81	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(C(=O)O)N(CC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1867.2
Gas Chromatography	Aspergillomarasmine A_TMS_82	C[Si](C)(C)NC(CNC(CNC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1844.45
Gas Chromatography	Aspergillomarasmine A_TMS_83	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(NCC(N)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1921.08
Gas Chromatography	Aspergillomarasmine A_TMS_84	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O[Si](C)(C)C)N(CC(N)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1065.45
Gas Chromatography	Aspergillomarasmine A_TMS_85	C[Si](C)(C)OC(=O)CC(NCC(NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1925.25
Gas Chromatography	Aspergillomarasmine A_TMS_86	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1770.89
Gas Chromatography	Aspergillomarasmine A_TMS_87	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1186.67
Gas Chromatography	Aspergillomarasmine A_TMS_88	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(C(=O)O[Si](C)(C)C)N(CC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2618.86
Gas Chromatography	Aspergillomarasmine A_TMS_89	C[Si](C)(C)OC(=O)CC(NCC(NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2717.97
Gas Chromatography	Aspergillomarasmine A_TMS_90	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1901.19
Gas Chromatography	Aspergillomarasmine A_TMS_91	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O	standard polar	2025-10-23	2540.62
Gas Chromatography	Aspergillomarasmine A_TMS_92	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O)N(CC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2262.05
Gas Chromatography	Aspergillomarasmine A_TMS_93	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2681.98
Gas Chromatography	Aspergillomarasmine A_TMS_94	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2528.66
Gas Chromatography	Aspergillomarasmine A_TMS_95	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2209.86
Gas Chromatography	Aspergillomarasmine A_TMS_96	C[Si](C)(C)NC(CNC(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2588.5
Gas Chromatography	Aspergillomarasmine A_TMS_97	C[Si](C)(C)OC(=O)C(N)CN(C(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2169.83
Gas Chromatography	Aspergillomarasmine A_TMS_98	C[Si](C)(C)OC(=O)C(N)CNC(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1898.93
Gas Chromatography	Aspergillomarasmine A_TMS_99	C[Si](C)(C)OC(=O)C(CC(=O)O)NCC(NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2744.96
Gas Chromatography	Aspergillomarasmine A_TMS_100	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2108.61
Gas Chromatography	Aspergillomarasmine A_TMS_101	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2741.83
Gas Chromatography	Aspergillomarasmine A_TMS_102	C[Si](C)(C)OC(=O)C(N)CN(C(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2657.76
Gas Chromatography	Aspergillomarasmine A_TMS_103	C[Si](C)(C)OC(=O)C(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2644.32
Gas Chromatography	Aspergillomarasmine A_TMS_104	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	3064.68
Gas Chromatography	Aspergillomarasmine A_TMS_105	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1114.8
Gas Chromatography	Aspergillomarasmine A_TMS_106	C[Si](C)(C)OC(=O)C(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(CC(N)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2412.49
Gas Chromatography	Aspergillomarasmine A_TMS_107	C[Si](C)(C)OC(=O)C(CC(=O)O)N(CC(NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2257.82
Gas Chromatography	Aspergillomarasmine A_TMS_108	C[Si](C)(C)OC(=O)C(CC(=O)O)NCC(C(=O)O)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2854.19
Gas Chromatography	Aspergillomarasmine A_TMS_109	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2929.42
Gas Chromatography	Aspergillomarasmine A_TMS_110	C[Si](C)(C)OC(=O)C(CNC(CC(=O)O)C(=O)O)NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2661.93
Gas Chromatography	Aspergillomarasmine A_TMS_111	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2360.68
Gas Chromatography	Aspergillomarasmine A_TMS_112	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1419.2
Gas Chromatography	Aspergillomarasmine A_TMS_113	C[Si](C)(C)OC(=O)C(N)CN(C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2505.46
Gas Chromatography	Aspergillomarasmine A_TMS_114	C[Si](C)(C)OC(=O)C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	3238.53
Gas Chromatography	Aspergillomarasmine A_TMS_115	C[Si](C)(C)OC(=O)C(CNC(CC(=O)O)C(=O)O)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1764.47
Gas Chromatography	Aspergillomarasmine A_TMS_116	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	3558.07
Gas Chromatography	Aspergillomarasmine A_TMS_117	C[Si](C)(C)OC(=O)C(CN(C(CNC(CC(=O)O)C(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2903.65
Gas Chromatography	Aspergillomarasmine A_TMS_118	C[Si](C)(C)OC(=O)C(CNC(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1910.21
Gas Chromatography	Aspergillomarasmine A_TMS_119	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	3642.24
Gas Chromatography	Aspergillomarasmine A_TMS_120	C[Si](C)(C)N(CC(C(=O)O)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CC(=O)O)C(=O)O	standard polar	2025-10-23	2098.01
Gas Chromatography	Aspergillomarasmine A_TMS_121	C[Si](C)(C)NC(CNC(CNC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1834.45
Gas Chromatography	Aspergillomarasmine A_TMS_122	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(NCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2604.52
Gas Chromatography	Aspergillomarasmine A_TMS_123	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O[Si](C)(C)C)N(CC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1495.39
Gas Chromatography	Aspergillomarasmine A_TMS_124	C[Si](C)(C)OC(=O)CC(NCC(NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1211.02
Gas Chromatography	Aspergillomarasmine A_TMS_125	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1555.48
Gas Chromatography	Aspergillomarasmine A_TMS_126	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1479.75
Gas Chromatography	Aspergillomarasmine A_TMS_127	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(C(=O)O[Si](C)(C)C)N(CC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2772.21
Gas Chromatography	Aspergillomarasmine A_TMS_128	C[Si](C)(C)OC(=O)CC(NCC(NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2581.35
Gas Chromatography	Aspergillomarasmine A_TMS_129	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1676.15
Gas Chromatography	Aspergillomarasmine A_TMS_130	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2489.88
Gas Chromatography	Aspergillomarasmine A_TMS_131	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O)N(CC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2840.93
Gas Chromatography	Aspergillomarasmine A_TMS_132	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	1819.16
Gas Chromatography	Aspergillomarasmine A_TMS_133	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2430.29
Gas Chromatography	Aspergillomarasmine A_TMS_134	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2849.29
Gas Chromatography	Aspergillomarasmine A_TMS_135	C[Si](C)(C)OC(=O)CC(NCC(NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1551.34
Gas Chromatography	Aspergillomarasmine A_TMS_136	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2119.87
Gas Chromatography	Aspergillomarasmine A_TMS_137	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2606.47
Gas Chromatography	Aspergillomarasmine A_TMS_138	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O[Si](C)(C)C)N(CC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2341.89
Gas Chromatography	Aspergillomarasmine A_TMS_139	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2486.85
Gas Chromatography	Aspergillomarasmine A_TMS_140	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2922.26
Gas Chromatography	Aspergillomarasmine A_TMS_141	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1472.25
Gas Chromatography	Aspergillomarasmine A_TMS_142	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	3152.37
Gas Chromatography	Aspergillomarasmine A_TMS_143	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1956.09
Gas Chromatography	Aspergillomarasmine A_TMS_144	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2888.34
Gas Chromatography	Aspergillomarasmine A_TMS_145	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(C(=O)O)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2405.0
Gas Chromatography	Aspergillomarasmine A_TMS_146	C[Si](C)(C)OC(=O)C(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1534.84
Gas Chromatography	Aspergillomarasmine A_TMS_147	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1782.85
Gas Chromatography	Aspergillomarasmine A_TMS_148	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2641.08
Gas Chromatography	Aspergillomarasmine A_TMS_149	C[Si](C)(C)OC(=O)C(N)CN(C(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1221.85
Gas Chromatography	Aspergillomarasmine A_TMS_150	C[Si](C)(C)OC(=O)C(CC(=O)O)N(CC(NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2544.28
Gas Chromatography	Aspergillomarasmine A_TMS_151	C[Si](C)(C)OC(=O)C(CC(=O)O)NCC(C(=O)O)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2496.66
Gas Chromatography	Aspergillomarasmine A_TMS_152	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2481.9
Gas Chromatography	Aspergillomarasmine A_TMS_153	C[Si](C)(C)OC(=O)C(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	3142.32
Gas Chromatography	Aspergillomarasmine A_TMS_154	C[Si](C)(C)OC(=O)C(CC(=O)O)NCC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	3043.47
Gas Chromatography	Aspergillomarasmine A_TMS_155	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1036.37
Gas Chromatography	Aspergillomarasmine A_TMS_156	C[Si](C)(C)OC(=O)C(CC(=O)O)N(CC(C(=O)O)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	980.091
Gas Chromatography	Aspergillomarasmine A_TMS_157	C[Si](C)(C)OC(=O)C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2355.78
Gas Chromatography	Aspergillomarasmine A_TMS_158	C[Si](C)(C)OC(=O)C(CNC(CC(=O)O)C(=O)O)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2229.03
Gas Chromatography	Aspergillomarasmine A_TMS_159	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1340.43
Gas Chromatography	Aspergillomarasmine A_TMS_160	C[Si](C)(C)OC(=O)C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2838.1
Gas Chromatography	Aspergillomarasmine A_TMS_161	C[Si](C)(C)OC(=O)C(CN(C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2520.33
Gas Chromatography	Aspergillomarasmine A_TMS_162	C[Si](C)(C)OC(=O)CC(NCC(NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1742.0
Gas Chromatography	Aspergillomarasmine A_TMS_163	C[Si](C)(C)NC(CN(C(CNC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1163.09
Gas Chromatography	Aspergillomarasmine A_TMS_164	C[Si](C)(C)NC(CNC(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1463.45
Gas Chromatography	Aspergillomarasmine A_TMS_165	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O[Si](C)(C)C)N(CC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1890.82
Gas Chromatography	Aspergillomarasmine A_TMS_166	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1421.64
Gas Chromatography	Aspergillomarasmine A_TMS_167	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2173.97
Gas Chromatography	Aspergillomarasmine A_TMS_168	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	195.64
Gas Chromatography	Aspergillomarasmine A_TMS_169	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	standard polar	2025-10-23	2104.34
Gas Chromatography	Aspergillomarasmine A_TMS_170	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2554.78
Gas Chromatography	Aspergillomarasmine A_TMS_171	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1660.16
Gas Chromatography	Aspergillomarasmine A_TMS_172	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(C(=O)O)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2759.51
Gas Chromatography	Aspergillomarasmine A_TMS_173	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(NCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2763.47
Gas Chromatography	Aspergillomarasmine A_TMS_174	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2295.57
Gas Chromatography	Aspergillomarasmine A_TMS_175	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2836.11
Gas Chromatography	Aspergillomarasmine A_TMS_176	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2677.55
Gas Chromatography	Aspergillomarasmine A_TMS_177	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1742.96
Gas Chromatography	Aspergillomarasmine A_TMS_178	C[Si](C)(C)OC(=O)C(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1370.81
Gas Chromatography	Aspergillomarasmine A_TMS_179	C[Si](C)(C)OC(=O)C(CC(=O)O)NCC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	3086.22
Gas Chromatography	Aspergillomarasmine A_TMS_180	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2207.08
Gas Chromatography	Aspergillomarasmine A_TMS_181	C[Si](C)(C)OC(=O)C(CC(=O)O)N(CC(C(=O)O)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2521.06
Gas Chromatography	Aspergillomarasmine A_TMS_182	C[Si](C)(C)OC(=O)C(CC(=O)O)N(CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1624.52
Gas Chromatography	Aspergillomarasmine A_TMS_183	C[Si](C)(C)OC(=O)C(CN(C(CC(=O)O)C(=O)O)[Si](C)(C)C)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2106.16
Gas Chromatography	Aspergillomarasmine A_TMS_184	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(NCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1733.31
Gas Chromatography	Aspergillomarasmine A_TMS_185	C[Si](C)(C)OC(=O)CC(NCC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	482.686
Gas Chromatography	Aspergillomarasmine A_TMS_186	C[Si](C)(C)NC(CN(C(CN(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1819.62
Gas Chromatography	Aspergillomarasmine A_TMS_187	C[Si](C)(C)OC(=O)CC(C(=O)O)N(CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1990.15
Gas Chromatography	Aspergillomarasmine A_TMS_188	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	-78.7468
Gas Chromatography	Aspergillomarasmine A_TMS_189	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2674.41
Gas Chromatography	Aspergillomarasmine A_TMS_190	C[Si](C)(C)OC(=O)C(CC(=O)O)N(CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2132.8
Gas Chromatography	Aspergillomarasmine A_TMS_191	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O[Si](C)(C)C)N(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	655.754

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

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
Eukaryota	nah	1		Metabolic reconstruction

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

HMDB0029450

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB000564

KNApSAcK ID

C00054171

Chemspider ID

8442678

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Aspergillomarasmine A

METLIN ID

Not Available

PubChem Compound

10267199

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 ]
Yannai, Shmuel (2004). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. Boca Raton: Chapman & Hall/CRC..

Showing metabocard for Aspergillomarasmine A (MMDBc0009713)

MOL for #<Metabolite:0x00007fc950fad3d8>

3D MOL for #<Metabolite:0x00007fc950fad3d8>

3D SDF for #<Metabolite:0x00007fc950fad3d8>

3D-SDF for #<Metabolite:0x00007fc950fad3d8>

PDB for #<Metabolite:0x00007fc950fad3d8>

3D PDB for #<Metabolite:0x00007fc950fad3d8>

SMILES for #<Metabolite:0x00007fc950fad3d8>

INCHI for #<Metabolite:0x00007fc950fad3d8>

Structure for #<Metabolite:0x00007fc950fad3d8>

3D Structure for #<Metabolite:0x00007fc950fad3d8>