MiMeDB: Showing metabocard for Fimsbactin D (MMDBc0012801)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-15 04:15:25 UTC

Update Date

2025-10-07 16:06:02 UTC

Metabolite ID

MMDBc0012801

Metabolite Identification

Common Name

Fimsbactin D

Description

Fimsbactin D is a siderophore, a chemical class of molecules that chelate iron and facilitate its transport in biological systems. There is little literature available on this metabolite, indicating that further research may be needed to fully understand its properties and biological significance.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152106152D          

 41 43  0  0  1  0            999 V2000
   -0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0468   -7.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5619   -6.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8673   -7.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674   -4.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8974   -6.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2028   -6.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7179   -5.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -5.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674   -4.6099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0233   -6.5570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0535   -5.2221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -5.3945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7351   -3.7505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 13  1  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18  7  2  0  0  0  0
 19  8  2  0  0  0  0
 20 14  2  0  0  0  0
 20 18  1  0  0  0  0
 21 15  2  0  0  0  0
 21 19  1  0  0  0  0
 22 16  1  0  0  0  0
 17 23  1  6  0  0  0
 24 14  1  0  0  0  0
 25 15  1  0  0  0  0
 26  9  1  4  0  0  0
 26 13  2  0  0  0  0
 27 10  1  4  0  0  0
 27 22  2  0  0  0  0
 16 28  1  1  0  0  0
 28 23  2  0  0  0  0
 29 17  1  0  0  0  0
 29 24  2  0  0  0  0
 30 13  1  0  0  0  0
 31 18  1  0  0  0  0
 32 19  1  0  0  0  0
 33 20  1  0  0  0  0
 34 21  1  0  0  0  0
 35 22  1  0  0  0  0
 23 36  1  4  0  0  0
 37 25  2  0  0  0  0
 38 11  1  0  0  0  0
 38 24  1  0  0  0  0
 39 12  1  0  0  0  0
 39 25  1  0  0  0  0
 16 40  1  1  0  0  0
 17 41  1  1  0  0  0
M  END


  Mrv1652305152106152D          

 41 43  0  0  1  0            999 V2000
   -0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0468   -7.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5619   -6.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8673   -7.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674   -4.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8974   -6.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2028   -6.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7179   -5.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -5.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674   -4.6099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0233   -6.5570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0535   -5.2221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -5.3945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7351   -3.7505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 13  1  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18  7  2  0  0  0  0
 19  8  2  0  0  0  0
 20 14  2  0  0  0  0
 20 18  1  0  0  0  0
 21 15  2  0  0  0  0
 21 19  1  0  0  0  0
 22 16  1  0  0  0  0
 17 23  1  6  0  0  0
 24 14  1  0  0  0  0
 25 15  1  0  0  0  0
 26  9  1  4  0  0  0
 26 13  2  0  0  0  0
 27 10  1  4  0  0  0
 27 22  2  0  0  0  0
 16 28  1  1  0  0  0
 28 23  2  0  0  0  0
 29 17  1  0  0  0  0
 29 24  2  0  0  0  0
 30 13  1  0  0  0  0
 31 18  1  0  0  0  0
 32 19  1  0  0  0  0
 33 20  1  0  0  0  0
 34 21  1  0  0  0  0
 35 22  1  0  0  0  0
 23 36  1  4  0  0  0
 37 25  2  0  0  0  0
 38 11  1  0  0  0  0
 38 24  1  0  0  0  0
 39 12  1  0  0  0  0
 39 25  1  0  0  0  0
 16 40  1  1  0  0  0
 17 41  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0012801

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@](COC(=O)C1=C(O)C(O)=CC=C1)(N=C(O)[C@]1([H])COC(=N1)C1=C(O)C(O)=CC=C1)C(O)=NCCCN=C(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C25H28N4O10/c1-13(30)26-9-4-10-27-22(35)16(12-39-25(37)15-6-3-8-19(32)21(15)34)28-23(36)17-11-38-24(29-17)14-5-2-7-18(31)20(14)33/h2-3,5-8,16-17,31-34H,4,9-12H2,1H3,(H,26,30)(H,27,35)(H,28,36)/t16-,17-/m0/s1

> <INCHI_KEY>
AIGALQWZVLEUFI-IRXDYDNUSA-N

> <FORMULA>
C25H28N4O10

> <MOLECULAR_WEIGHT>
544.517

> <EXACT_MASS>
544.180543118

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
55.133686001216894

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-3-(2,3-dihydroxybenzoyloxy)-2-({[(4S)-2-(2,3-dihydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-N-{3-[(1-hydroxyethylidene)amino]propyl}propanimidic acid

> <ALOGPS_LOGP>
1.45

> <JCHEM_LOGP>
1.3453137744858505

> <ALOGPS_LOGS>
-3.87

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.2932030572774966

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.428511849935584

> <JCHEM_PKA_STRONGEST_BASIC>
4.337166958014979

> <JCHEM_POLAR_SURFACE_AREA>
226.57999999999996

> <JCHEM_REFRACTIVITY>
136.2966

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.26e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-3-(2,3-dihydroxybenzoyloxy)-2-({[(4S)-2-(2,3-dihydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-N-{3-[(1-hydroxyethylidene)amino]propyl}propanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-MAY-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-MAY-21         0                                  
HETATM    1  C   UNK     0      -1.334   5.390   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.954 -13.968   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.001   0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334   0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.049 -12.723   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.486 -13.807   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.246  -8.605   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.675 -11.316   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335  -1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -3.850   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -4.112 -12.401   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.668   0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.207 -11.155   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.000  -6.160   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.770 -10.070   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0      -2.667   3.080   0.000  0.00  0.00           N+0
HETATM   27  N   UNK     0       0.000  -1.540   0.000  0.00  0.00           N+0
HETATM   28  N   UNK     0       1.334  -5.390   0.000  0.00  0.00           N+0
HETATM   29  N   UNK     0      -1.246  -8.605   0.000  0.00  0.00           N+0
HETATM   30  O   UNK     0       0.000   3.080   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -5.644 -12.240   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       8.002   1.540   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -3.833  -9.748   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       8.002  -1.540   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -1.334  -3.850   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       6.668  -3.850   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       0.770 -10.070   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       4.001  -3.850   0.000  0.00  0.00           O+0
HETATM   40  H   UNK     0       1.334  -2.310   0.000  0.00  0.00           H+0
HETATM   41  H   UNK     0      -1.372  -7.001   0.000  0.00  0.00           H+0
CONECT    1   13                                                            
CONECT    2    5    7                                                       
CONECT    3    6    8                                                       
CONECT    4    9   10                                                       
CONECT    5    2   14                                                       
CONECT    6    3   15                                                       
CONECT    7    2   18                                                       
CONECT    8    3   19                                                       
CONECT    9    4   26                                                       
CONECT   10    4   27                                                       
CONECT   11   17   38                                                       
CONECT   12   16   39                                                       
CONECT   13    1   26   30                                                  
CONECT   14    5   20   24                                                  
CONECT   15    6   21   25                                                  
CONECT   16   12   22   28   40                                             
CONECT   17   11   23   29   41                                             
CONECT   18    7   20   31                                                  
CONECT   19    8   21   32                                                  
CONECT   20   14   18   33                                                  
CONECT   21   15   19   34                                                  
CONECT   22   16   27   35                                                  
CONECT   23   17   28   36                                                  
CONECT   24   14   29   38                                                  
CONECT   25   15   37   39                                                  
CONECT   26    9   13                                                       
CONECT   27   10   22                                                       
CONECT   28   16   23                                                       
CONECT   29   17   24                                                       
CONECT   30   13                                                            
CONECT   31   18                                                            
CONECT   32   19                                                            
CONECT   33   20                                                            
CONECT   34   21                                                            
CONECT   35   22                                                            
CONECT   36   23                                                            
CONECT   37   25                                                            
CONECT   38   11   24                                                       
CONECT   39   12   25                                                       
CONECT   40   16                                                            
CONECT   41   17                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   86    0
END

Synonyms

Not Available

Molecular Formula

C₂₅H₂₈N₄O₁₀

Average Mass

544.517

Monoisotopic Mass

544.180543118

IUPAC Name

(2S)-3-(2,3-dihydroxybenzoyloxy)-2-({[(4S)-2-(2,3-dihydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-N-{3-[(1-hydroxyethylidene)amino]propyl}propanimidic acid

Traditional Name

(2S)-3-(2,3-dihydroxybenzoyloxy)-2-({[(4S)-2-(2,3-dihydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-N-{3-[(1-hydroxyethylidene)amino]propyl}propanimidic acid

CAS Registry Number

Not Available

SMILES

[H][C@@](COC(=O)C1=C(O)C(O)=CC=C1)(N=C(O)[C@]1([H])COC(=N1)C1=C(O)C(O)=CC=C1)C(O)=NCCCN=C(C)O

InChI Identifier

InChI=1S/C25H28N4O10/c1-13(30)26-9-4-10-27-22(35)16(12-39-25(37)15-6-3-8-19(32)21(15)34)28-23(36)17-11-38-24(29-17)14-5-2-7-18(31)20(14)33/h2-3,5-8,16-17,31-34H,4,9-12H2,1H3,(H,26,30)(H,27,35)(H,28,36)/t16-,17-/m0/s1

InChI Key

AIGALQWZVLEUFI-IRXDYDNUSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

N-acyl-alpha amino acids and derivatives

Alternative Parents

Substituents

N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
M-hydroxybenzoic acid ester
O-hydroxybenzoic acid ester
Salicylic acid or derivatives
Benzoate ester
Benzoic acid or derivatives
Catechol
Benzoyl
1-hydroxy-4-unsubstituted benzenoid
Phenol
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
Oxazoline
Vinylogous acid
Acetamide
Carboxamide group
Carboxylic acid ester
Secondary carboxylic acid amide
Organoheterocyclic compound
Azacycle
Monocarboxylic acid or derivatives
Oxacycle
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.073 g/L	ALOGPS
logP	1.45	ALOGPS
logP	1.35	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Acidic)	2.43	ChemAxon
pKa (Strongest Basic)	4.34	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	226.58 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	136.3 m³·mol⁻¹	ChemAxon
Polarizability	55.13 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	219.4
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	206.9
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	427.8
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	489.6
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	474.1
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	166.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	1341.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	162.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	236.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	144.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	161.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	136.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	108.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	197.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	336.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	105.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	343.1
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	1279.2
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	740.2

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Fimsbactin D_TMS_1	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard non polar	2025-10-23	1301.88
Gas Chromatography	Fimsbactin D_TMS_2	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard non polar	2025-10-23	2851.79
Gas Chromatography	Fimsbactin D_TMS_3	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard non polar	2025-10-23	1778.52
Gas Chromatography	Fimsbactin D_TMS_4	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	1079.57
Gas Chromatography	Fimsbactin D_TMS_5	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard non polar	2025-10-23	2921.81
Gas Chromatography	Fimsbactin D_TMS_6	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard non polar	2025-10-23	1288.76
Gas Chromatography	Fimsbactin D_TMS_7	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	2489.0
Gas Chromatography	Fimsbactin D_TMS_8	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	1873.18
Gas Chromatography	Fimsbactin D_TMS_9	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard non polar	2025-10-23	1675.68
Gas Chromatography	Fimsbactin D_TMS_10	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard non polar	2025-10-23	1325.23
Gas Chromatography	Fimsbactin D_TMS_11	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard non polar	2025-10-23	2066.63
Gas Chromatography	Fimsbactin D_TMS_12	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard non polar	2025-10-23	1848.83
Gas Chromatography	Fimsbactin D_TMS_13	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	595.228
Gas Chromatography	Fimsbactin D_TMS_14	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	2823.12
Gas Chromatography	Fimsbactin D_TMS_15	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard non polar	2025-10-23	1779.16
Gas Chromatography	Fimsbactin D_TMS_16	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard non polar	2025-10-23	2578.32
Gas Chromatography	Fimsbactin D_TMS_17	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard non polar	2025-10-23	2106.55
Gas Chromatography	Fimsbactin D_TMS_18	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	1501.55
Gas Chromatography	Fimsbactin D_TMS_19	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	1932.31
Gas Chromatography	Fimsbactin D_TMS_20	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard non polar	2025-10-23	1387.17
Gas Chromatography	Fimsbactin D_TMS_21	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard non polar	2025-10-23	1957.36
Gas Chromatography	Fimsbactin D_TMS_22	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	1394.65
Gas Chromatography	Fimsbactin D_TMS_23	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	1653.23
Gas Chromatography	Fimsbactin D_TMS_24	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	171.422
Gas Chromatography	Fimsbactin D_TMS_25	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	1429.48
Gas Chromatography	Fimsbactin D_TMS_26	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	1483.37
Gas Chromatography	Fimsbactin D_TMS_27	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard non polar	2025-10-23	2050.81
Gas Chromatography	Fimsbactin D_TMS_28	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	2248.37
Gas Chromatography	Fimsbactin D_TMS_29	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	807.261
Gas Chromatography	Fimsbactin D_TMS_30	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	1785.05
Gas Chromatography	Fimsbactin D_TMS_31	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	2639.67
Gas Chromatography	Fimsbactin D_TMS_32	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	1332.77
Gas Chromatography	Fimsbactin D_TMS_33	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	3165.24
Gas Chromatography	Fimsbactin D_TMS_34	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard non polar	2025-10-23	1148.59
Gas Chromatography	Fimsbactin D_TMS_35	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard non polar	2025-10-23	2060.0
Gas Chromatography	Fimsbactin D_TMS_36	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard non polar	2025-10-23	891.77
Gas Chromatography	Fimsbactin D_TMS_37	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	2044.23
Gas Chromatography	Fimsbactin D_TMS_38	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard non polar	2025-10-23	1530.96
Gas Chromatography	Fimsbactin D_TMS_39	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard non polar	2025-10-23	2421.64
Gas Chromatography	Fimsbactin D_TMS_40	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	1267.46
Gas Chromatography	Fimsbactin D_TMS_41	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard non polar	2025-10-23	2264.7
Gas Chromatography	Fimsbactin D_TMS_42	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	925.259
Gas Chromatography	Fimsbactin D_TMS_43	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	1418.63
Gas Chromatography	Fimsbactin D_TMS_44	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	2245.43
Gas Chromatography	Fimsbactin D_TMS_45	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	2431.37
Gas Chromatography	Fimsbactin D_TMS_46	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	1490.36
Gas Chromatography	Fimsbactin D_TMS_47	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	2331.08
Gas Chromatography	Fimsbactin D_TMS_48	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard non polar	2025-10-23	1583.99
Gas Chromatography	Fimsbactin D_TMS_49	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard non polar	2025-10-23	1409.93
Gas Chromatography	Fimsbactin D_TMS_50	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	2890.83
Gas Chromatography	Fimsbactin D_TMS_51	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard non polar	2025-10-23	1933.89
Gas Chromatography	Fimsbactin D_TMS_52	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	3801.64
Gas Chromatography	Fimsbactin D_TMS_53	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	2304.73
Gas Chromatography	Fimsbactin D_TMS_54	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	2219.75
Gas Chromatography	Fimsbactin D_TMS_55	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	2547.18
Gas Chromatography	Fimsbactin D_TMS_56	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	637.182
Gas Chromatography	Fimsbactin D_TMS_57	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard non polar	2025-10-23	2088.3
Gas Chromatography	Fimsbactin D_TMS_58	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	2367.29
Gas Chromatography	Fimsbactin D_TMS_59	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	2344.71
Gas Chromatography	Fimsbactin D_TMS_60	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	2416.37
Gas Chromatography	Fimsbactin D_TMS_61	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	1828.7
Gas Chromatography	Fimsbactin D_TMS_62	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	2624.82
Gas Chromatography	Fimsbactin D_TMS_63	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	1315.15
Gas Chromatography	Fimsbactin D_TMS_64	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	1394.99
Gas Chromatography	Fimsbactin D_TMS_65	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	1786.76
Gas Chromatography	Fimsbactin D_TMS_66	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	2003.71
Gas Chromatography	Fimsbactin D_TMS_67	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	3172.11
Gas Chromatography	Fimsbactin D_TMS_68	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	957.654
Gas Chromatography	Fimsbactin D_TMS_69	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	2085.26
Gas Chromatography	Fimsbactin D_TMS_70	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	1979.65
Gas Chromatography	Fimsbactin D_TMS_71	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	2546.47
Gas Chromatography	Fimsbactin D_TMS_72	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	312.774
Gas Chromatography	Fimsbactin D_TMS_73	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	4034.62
Gas Chromatography	Fimsbactin D_TMS_74	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard non polar	2025-10-23	2017.43
Gas Chromatography	Fimsbactin D_TMS_75	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard non polar	2025-10-23	1627.36
Gas Chromatography	Fimsbactin D_TMS_76	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	1648.05
Gas Chromatography	Fimsbactin D_TMS_77	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard non polar	2025-10-23	1872.42
Gas Chromatography	Fimsbactin D_TMS_78	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	907.565
Gas Chromatography	Fimsbactin D_TMS_79	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	1338.54
Gas Chromatography	Fimsbactin D_TMS_80	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard non polar	2025-10-23	1375.54
Gas Chromatography	Fimsbactin D_TMS_81	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	2476.01
Gas Chromatography	Fimsbactin D_TMS_82	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	1563.65
Gas Chromatography	Fimsbactin D_TMS_83	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	2064.37
Gas Chromatography	Fimsbactin D_TMS_84	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	448.896
Gas Chromatography	Fimsbactin D_TMS_85	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	1595.66
Gas Chromatography	Fimsbactin D_TMS_86	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	2809.85
Gas Chromatography	Fimsbactin D_TMS_87	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	2990.56
Gas Chromatography	Fimsbactin D_TMS_88	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	2524.34
Gas Chromatography	Fimsbactin D_TMS_89	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	1532.73
Gas Chromatography	Fimsbactin D_TMS_90	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard non polar	2025-10-23	1527.21
Gas Chromatography	Fimsbactin D_TMS_91	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	1898.31
Gas Chromatography	Fimsbactin D_TMS_92	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	1502.22
Gas Chromatography	Fimsbactin D_TMS_93	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	4239.22
Gas Chromatography	Fimsbactin D_TMS_94	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	1721.24
Gas Chromatography	Fimsbactin D_TMS_95	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	1883.05
Gas Chromatography	Fimsbactin D_TMS_96	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	3252.59
Gas Chromatography	Fimsbactin D_TMS_97	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1	standard non polar	2025-10-23	2058.96
Gas Chromatography	Fimsbactin D_TMS_98	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard non polar	2025-10-23	1956.98
Gas Chromatography	Fimsbactin D_TMS_1	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard polar	2025-10-23	3142.6
Gas Chromatography	Fimsbactin D_TMS_2	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard polar	2025-10-23	1495.04
Gas Chromatography	Fimsbactin D_TMS_3	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard polar	2025-10-23	2258.68
Gas Chromatography	Fimsbactin D_TMS_4	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	1702.69
Gas Chromatography	Fimsbactin D_TMS_5	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard polar	2025-10-23	2563.5
Gas Chromatography	Fimsbactin D_TMS_6	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard polar	2025-10-23	1976.54
Gas Chromatography	Fimsbactin D_TMS_7	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	2356.76
Gas Chromatography	Fimsbactin D_TMS_8	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	3294.13
Gas Chromatography	Fimsbactin D_TMS_9	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard polar	2025-10-23	3162.37
Gas Chromatography	Fimsbactin D_TMS_10	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard polar	2025-10-23	1916.91
Gas Chromatography	Fimsbactin D_TMS_11	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard polar	2025-10-23	1860.7
Gas Chromatography	Fimsbactin D_TMS_12	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard polar	2025-10-23	2607.9
Gas Chromatography	Fimsbactin D_TMS_13	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	2164.85
Gas Chromatography	Fimsbactin D_TMS_14	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	1962.91
Gas Chromatography	Fimsbactin D_TMS_15	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard polar	2025-10-23	1575.53
Gas Chromatography	Fimsbactin D_TMS_16	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard polar	2025-10-23	3038.8
Gas Chromatography	Fimsbactin D_TMS_17	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard polar	2025-10-23	3613.64
Gas Chromatography	Fimsbactin D_TMS_18	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	2990.52
Gas Chromatography	Fimsbactin D_TMS_19	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	3206.8
Gas Chromatography	Fimsbactin D_TMS_20	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard polar	2025-10-23	2649.6
Gas Chromatography	Fimsbactin D_TMS_21	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard polar	2025-10-23	4304.32
Gas Chromatography	Fimsbactin D_TMS_22	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	1152.65
Gas Chromatography	Fimsbactin D_TMS_23	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard polar	2025-10-23	841.156
Gas Chromatography	Fimsbactin D_TMS_24	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	2364.41
Gas Chromatography	Fimsbactin D_TMS_25	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	1531.89
Gas Chromatography	Fimsbactin D_TMS_26	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	1585.03
Gas Chromatography	Fimsbactin D_TMS_27	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard polar	2025-10-23	3116.08
Gas Chromatography	Fimsbactin D_TMS_28	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	2637.77
Gas Chromatography	Fimsbactin D_TMS_29	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	1069.26
Gas Chromatography	Fimsbactin D_TMS_30	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	1099.68
Gas Chromatography	Fimsbactin D_TMS_31	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	1786.63
Gas Chromatography	Fimsbactin D_TMS_32	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	864.438
Gas Chromatography	Fimsbactin D_TMS_33	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard polar	2025-10-23	3202.26
Gas Chromatography	Fimsbactin D_TMS_34	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard polar	2025-10-23	2807.38
Gas Chromatography	Fimsbactin D_TMS_35	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard polar	2025-10-23	1971.62
Gas Chromatography	Fimsbactin D_TMS_36	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard polar	2025-10-23	1186.93
Gas Chromatography	Fimsbactin D_TMS_37	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	1973.21
Gas Chromatography	Fimsbactin D_TMS_38	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard polar	2025-10-23	2821.77
Gas Chromatography	Fimsbactin D_TMS_39	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard polar	2025-10-23	1709.29
Gas Chromatography	Fimsbactin D_TMS_40	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	2262.25
Gas Chromatography	Fimsbactin D_TMS_41	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard polar	2025-10-23	2463.03
Gas Chromatography	Fimsbactin D_TMS_42	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	1046.93
Gas Chromatography	Fimsbactin D_TMS_43	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	1952.46
Gas Chromatography	Fimsbactin D_TMS_44	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	2081.15
Gas Chromatography	Fimsbactin D_TMS_45	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	1556.42
Gas Chromatography	Fimsbactin D_TMS_46	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	1703.65
Gas Chromatography	Fimsbactin D_TMS_47	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard polar	2025-10-23	3254.29
Gas Chromatography	Fimsbactin D_TMS_48	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard polar	2025-10-23	1979.21
Gas Chromatography	Fimsbactin D_TMS_49	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard polar	2025-10-23	2801.15
Gas Chromatography	Fimsbactin D_TMS_50	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	833.195
Gas Chromatography	Fimsbactin D_TMS_51	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard polar	2025-10-23	1324.46
Gas Chromatography	Fimsbactin D_TMS_52	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	3251.03
Gas Chromatography	Fimsbactin D_TMS_53	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	2091.76
Gas Chromatography	Fimsbactin D_TMS_54	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	1869.33
Gas Chromatography	Fimsbactin D_TMS_55	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	3615.19
Gas Chromatography	Fimsbactin D_TMS_56	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard polar	2025-10-23	2669.96
Gas Chromatography	Fimsbactin D_TMS_57	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard polar	2025-10-23	3321.41
Gas Chromatography	Fimsbactin D_TMS_58	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	1536.35
Gas Chromatography	Fimsbactin D_TMS_59	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	3224.68
Gas Chromatography	Fimsbactin D_TMS_60	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard polar	2025-10-23	2481.93
Gas Chromatography	Fimsbactin D_TMS_61	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard polar	2025-10-23	1621.44
Gas Chromatography	Fimsbactin D_TMS_62	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	1811.61
Gas Chromatography	Fimsbactin D_TMS_63	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	1093.71
Gas Chromatography	Fimsbactin D_TMS_64	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	1362.21
Gas Chromatography	Fimsbactin D_TMS_65	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	2967.42
Gas Chromatography	Fimsbactin D_TMS_66	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	1560.88
Gas Chromatography	Fimsbactin D_TMS_67	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard polar	2025-10-23	2603.04
Gas Chromatography	Fimsbactin D_TMS_68	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	1553.2
Gas Chromatography	Fimsbactin D_TMS_69	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	1900.75
Gas Chromatography	Fimsbactin D_TMS_70	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard polar	2025-10-23	2217.53
Gas Chromatography	Fimsbactin D_TMS_71	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	1962.28
Gas Chromatography	Fimsbactin D_TMS_72	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard polar	2025-10-23	2762.14
Gas Chromatography	Fimsbactin D_TMS_73	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard polar	2025-10-23	1911.76
Gas Chromatography	Fimsbactin D_TMS_74	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1	standard polar	2025-10-23	2241.21
Gas Chromatography	Fimsbactin D_TMS_75	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard polar	2025-10-23	1875.8
Gas Chromatography	Fimsbactin D_TMS_76	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	1895.64
Gas Chromatography	Fimsbactin D_TMS_77	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard polar	2025-10-23	1330.83
Gas Chromatography	Fimsbactin D_TMS_78	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	2155.91
Gas Chromatography	Fimsbactin D_TMS_79	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	2233.88
Gas Chromatography	Fimsbactin D_TMS_80	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard polar	2025-10-23	2050.82
Gas Chromatography	Fimsbactin D_TMS_81	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	1515.82
Gas Chromatography	Fimsbactin D_TMS_82	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	2811.52
Gas Chromatography	Fimsbactin D_TMS_83	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	3265.24
Gas Chromatography	Fimsbactin D_TMS_84	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	2157.31
Gas Chromatography	Fimsbactin D_TMS_85	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	1178.15
Gas Chromatography	Fimsbactin D_TMS_86	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard polar	2025-10-23	2769.11
Gas Chromatography	Fimsbactin D_TMS_87	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	1746.92
Gas Chromatography	Fimsbactin D_TMS_88	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard polar	2025-10-23	2554.05
Gas Chromatography	Fimsbactin D_TMS_89	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard polar	2025-10-23	1890.32
Gas Chromatography	Fimsbactin D_TMS_90	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1	standard polar	2025-10-23	1657.15
Gas Chromatography	Fimsbactin D_TMS_91	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	1934.95
Gas Chromatography	Fimsbactin D_TMS_92	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	3076.65
Gas Chromatography	Fimsbactin D_TMS_93	CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O[Si](C)(C)C)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	1058.18
Gas Chromatography	Fimsbactin D_TMS_94	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O)=N1)O[Si](C)(C)C	standard polar	2025-10-23	3388.23
Gas Chromatography	Fimsbactin D_TMS_95	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard polar	2025-10-23	1820.82
Gas Chromatography	Fimsbactin D_TMS_96	CC(=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard polar	2025-10-23	2643.43
Gas Chromatography	Fimsbactin D_TMS_97	CC(O)=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O[Si](C)(C)C)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1	standard polar	2025-10-23	2464.07
Gas Chromatography	Fimsbactin D_TMS_98	CC(=NCCCN=C(O[Si](C)(C)C)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=N1)O[Si](C)(C)C	standard polar	2025-10-23	860.285

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

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

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

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

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria/Eubacteria	Proteobacteria	1	Human	Metabolic reconstruction

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

78440304

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139586560

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

van Santen JA, Poynton EF, Iskakova D, McMann E, Alsup TA, Clark TN, Fergusson CH, Fewer DP, Hughes AH, McCadden CA, Parra J, Soldatou S, Rudolf JD, Janssen EM, Duncan KR, Linington RG: The Natural Products Atlas 2.0: a database of microbially-derived natural products. Nucleic Acids Res. 2022 Jan 7;50(D1):D1317-D1323. doi: 10.1093/nar/gkab941. [PubMed:34718710 ]

Showing metabocard for Fimsbactin D (MMDBc0012801)

MOL for #<Metabolite:0x00007fc9389b02e0>

3D MOL for #<Metabolite:0x00007fc9389b02e0>

3D SDF for #<Metabolite:0x00007fc9389b02e0>

3D-SDF for #<Metabolite:0x00007fc9389b02e0>

PDB for #<Metabolite:0x00007fc9389b02e0>

3D PDB for #<Metabolite:0x00007fc9389b02e0>

SMILES for #<Metabolite:0x00007fc9389b02e0>

INCHI for #<Metabolite:0x00007fc9389b02e0>

Structure for #<Metabolite:0x00007fc9389b02e0>

3D Structure for #<Metabolite:0x00007fc9389b02e0>