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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2013-05-09 21:15:30 UTC

Update Date

2022-09-22 18:35:12 UTC

HMDB ID

HMDB0060278

Secondary Accession Numbers

HMDB60278

Metabolite Identification

Common Name

Fructoseglycine

Description

Fructoseglycine belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Fructoseglycine is a very strong basic compound (based on its pKa). Fructoseglycine exists in all living organisms, ranging from bacteria to humans.

Structure

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

HMDB0060278
     RDKit          3D
Fructoseglycine
 31 30  0  0  0  0  0  0  0  0999 V2000
    5.1111   -0.1526    0.2057 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2987    0.7071    0.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7495    1.9682    0.9982 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8464    0.3908    0.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486   -0.9593    0.2278 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2767   -1.4087    0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4212   -0.7185   -0.7244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9738    0.1074   -1.4367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0290   -1.0259   -0.8382 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3969   -2.0014    0.0752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9296    0.1469   -0.8902 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4329    1.0367   -1.8439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2573    0.8294    0.3829 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2348    1.4651    1.0199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9547   -0.0733    1.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9990   -0.7352    0.7516 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0252    2.6229    0.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5141    0.4196    1.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2856    1.1577    0.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1186   -1.1596   -0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9094   -1.1685    1.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2266   -2.5102    0.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1287   -1.5301   -1.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9732   -2.8751   -0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9094   -0.2126   -1.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6270    1.9688   -1.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0312    1.6143    0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4559    2.3981    1.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2098   -0.7260    1.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241    0.5485    2.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4119   -0.1243    0.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  6 21  1  0
  6 22  1  0
  9 23  1  6
 10 24  1  0
 11 25  1  6
 12 26  1  0
 13 27  1  6
 14 28  1  0
 15 29  1  0
 15 30  1  0
 16 31  1  0
M  END


  Mrv0541 08091208232D          

 19 18  0  0  0  0            999 V2000
   -0.1401    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2888    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8546    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980    2.5559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0033    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691    2.5559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2836    2.1434    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5743    2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4270    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8546    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7177    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0033    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2836    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980    1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691    1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2836    2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  2  0  0  0  0
  5 12  1  6  0  0  0
 13  6  2  0  0  0  0
 14  6  1  0  0  0  0
  7 15  1  1  0  0  0
  8 16  1  1  0  0  0
  5 17  1  6  0  0  0
  7 18  1  1  0  0  0
  8 19  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0060278

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)CNCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H15NO7/c10-3-5(12)8(16)7(15)4(11)1-9-2-6(13)14/h5,7-10,12,15-16H,1-3H2,(H,13,14)/t5-,7-,8-/m1/s1

> <INCHI_KEY>
YGUYJMQMTNJNFS-LPBLVHEISA-N

> <FORMULA>
C8H15NO7

> <MOLECULAR_WEIGHT>
237.2072

> <EXACT_MASS>
237.084851839

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
21.6151557824859

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino}acetic acid

> <ALOGPS_LOGP>
-2.95

> <JCHEM_LOGP>
-5.925780184661986

> <ALOGPS_LOGS>
-0.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.83513836534801

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.3301525530482499

> <JCHEM_PKA_STRONGEST_BASIC>
10.803548913827838

> <JCHEM_POLAR_SURFACE_AREA>
147.32

> <JCHEM_REFRACTIVITY>
50.07849999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.02e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
fructose glycine

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0060278
     RDKit          3D
Fructoseglycine
 31 30  0  0  0  0  0  0  0  0999 V2000
    5.1111   -0.1526    0.2057 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2987    0.7071    0.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7495    1.9682    0.9982 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8464    0.3908    0.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486   -0.9593    0.2278 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2767   -1.4087    0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4212   -0.7185   -0.7244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9738    0.1074   -1.4367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0290   -1.0259   -0.8382 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3969   -2.0014    0.0752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9296    0.1469   -0.8902 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4329    1.0367   -1.8439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2573    0.8294    0.3829 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2348    1.4651    1.0199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9547   -0.0733    1.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9990   -0.7352    0.7516 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0252    2.6229    0.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5141    0.4196    1.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2856    1.1577    0.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1186   -1.1596   -0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9094   -1.1685    1.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2266   -2.5102    0.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1287   -1.5301   -1.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9732   -2.8751   -0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9094   -0.2126   -1.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6270    1.9688   -1.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0312    1.6143    0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4559    2.3981    1.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2098   -0.7260    1.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241    0.5485    2.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4119   -0.1243    0.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  6 21  1  0
  6 22  1  0
  9 23  1  6
 10 24  1  0
 11 25  1  6
 12 26  1  0
 13 27  1  6
 14 28  1  0
 15 29  1  0
 15 30  1  0
 16 31  1  0
M  END

HEADER    PROTEIN                                 09-AUG-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-AUG-12         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   17  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   18  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   19  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
CONECT    1    4    9                                                       
CONECT    2    6    9                                                       
CONECT    3    5   10                                                       
CONECT    4    1    7   11                                                  
CONECT    5    3    8   12   17                                             
CONECT    6    2   13   14                                                  
CONECT    7    4    8   15   18                                             
CONECT    8    5    7   16   19                                             
CONECT    9    1    2                                                       
CONECT   10    3                                                            
CONECT   11    4                                                            
CONECT   12    5                                                            
CONECT   13    6                                                            
CONECT   14    6                                                            
CONECT   15    7                                                            
CONECT   16    8                                                            
CONECT   17    5                                                            
CONECT   18    7                                                            
CONECT   19    8                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   36    0
END

COMPND    HMDB0060278
HETATM    1  O1  UNL     1       5.111  -0.153   0.206  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.299   0.707   0.610  1.00  0.00           C  
HETATM    3  O2  UNL     1       4.750   1.968   0.998  1.00  0.00           O  
HETATM    4  C2  UNL     1       2.846   0.391   0.682  1.00  0.00           C  
HETATM    5  N1  UNL     1       2.649  -0.959   0.228  1.00  0.00           N  
HETATM    6  C3  UNL     1       1.277  -1.409   0.269  1.00  0.00           C  
HETATM    7  C4  UNL     1       0.421  -0.719  -0.724  1.00  0.00           C  
HETATM    8  O3  UNL     1       0.974   0.107  -1.437  1.00  0.00           O  
HETATM    9  C5  UNL     1      -1.029  -1.026  -0.838  1.00  0.00           C  
HETATM   10  O4  UNL     1      -1.397  -2.001   0.075  1.00  0.00           O  
HETATM   11  C6  UNL     1      -1.930   0.147  -0.890  1.00  0.00           C  
HETATM   12  O5  UNL     1      -1.433   1.037  -1.844  1.00  0.00           O  
HETATM   13  C7  UNL     1      -2.257   0.829   0.383  1.00  0.00           C  
HETATM   14  O6  UNL     1      -1.235   1.465   1.020  1.00  0.00           O  
HETATM   15  C8  UNL     1      -2.955  -0.073   1.375  1.00  0.00           C  
HETATM   16  O7  UNL     1      -3.999  -0.735   0.752  1.00  0.00           O  
HETATM   17  H1  UNL     1       5.025   2.623   0.292  1.00  0.00           H  
HETATM   18  H2  UNL     1       2.514   0.420   1.756  1.00  0.00           H  
HETATM   19  H3  UNL     1       2.286   1.158   0.133  1.00  0.00           H  
HETATM   20  H4  UNL     1       3.119  -1.160  -0.682  1.00  0.00           H  
HETATM   21  H5  UNL     1       0.909  -1.169   1.311  1.00  0.00           H  
HETATM   22  H6  UNL     1       1.227  -2.510   0.138  1.00  0.00           H  
HETATM   23  H7  UNL     1      -1.129  -1.530  -1.849  1.00  0.00           H  
HETATM   24  H8  UNL     1      -0.973  -2.875  -0.113  1.00  0.00           H  
HETATM   25  H9  UNL     1      -2.909  -0.213  -1.326  1.00  0.00           H  
HETATM   26  H10 UNL     1      -1.627   1.969  -1.647  1.00  0.00           H  
HETATM   27  H11 UNL     1      -3.031   1.614   0.121  1.00  0.00           H  
HETATM   28  H12 UNL     1      -1.456   2.398   1.339  1.00  0.00           H  
HETATM   29  H13 UNL     1      -2.210  -0.726   1.843  1.00  0.00           H  
HETATM   30  H14 UNL     1      -3.424   0.548   2.187  1.00  0.00           H  
HETATM   31  H15 UNL     1      -4.412  -0.124   0.093  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   17
CONECT    4    5   18   19
CONECT    5    6   20
CONECT    6    7   21   22
CONECT    7    8    8    9
CONECT    9   10   11   23
CONECT   10   24
CONECT   11   12   13   25
CONECT   12   26
CONECT   13   14   15   27
CONECT   14   28
CONECT   15   16   29   30
CONECT   16   31
END

HMDB0060278
     RDKit          3D
Fructoseglycine
 31 30  0  0  0  0  0  0  0  0999 V2000
    5.1111   -0.1526    0.2057 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2987    0.7071    0.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7495    1.9682    0.9982 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8464    0.3908    0.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486   -0.9593    0.2278 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2767   -1.4087    0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4212   -0.7185   -0.7244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9738    0.1074   -1.4367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0290   -1.0259   -0.8382 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3969   -2.0014    0.0752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9296    0.1469   -0.8902 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4329    1.0367   -1.8439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2573    0.8294    0.3829 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2348    1.4651    1.0199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9547   -0.0733    1.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9990   -0.7352    0.7516 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0252    2.6229    0.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5141    0.4196    1.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2856    1.1577    0.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1186   -1.1596   -0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9094   -1.1685    1.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2266   -2.5102    0.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1287   -1.5301   -1.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9732   -2.8751   -0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9094   -0.2126   -1.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6270    1.9688   -1.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0312    1.6143    0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4559    2.3981    1.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2098   -0.7260    1.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241    0.5485    2.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4119   -0.1243    0.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  6 21  1  0
  6 22  1  0
  9 23  1  6
 10 24  1  0
 11 25  1  6
 12 26  1  0
 13 27  1  6
 14 28  1  0
 15 29  1  0
 15 30  1  0
 16 31  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
1-[(Carboxymethyl)amino]-1-deoxy-D-fructose	ChEBI
Fructose glycine	ChEBI
Fructosyl-glycine	ChEBI
Fructosylglycine	HMDB
Fructoseglycine	ChEBI

Chemical Formula

C₈H₁₅NO₇

Average Molecular Weight

237.2072

Monoisotopic Molecular Weight

237.084851839

IUPAC Name

2-{[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino}acetic acid

Traditional Name

fructose glycine

CAS Registry Number

Not Available

SMILES

[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)CNCC(O)=O

InChI Identifier

InChI=1S/C8H15NO7/c10-3-5(12)8(16)7(15)4(11)1-9-2-6(13)14/h5,7-10,12,15-16H,1-3H2,(H,13,14)/t5-,7-,8-/m1/s1

InChI Key

YGUYJMQMTNJNFS-LPBLVHEISA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acids

Alternative Parents

Substituents

Alpha-amino acid
Acyloin
Beta-hydroxy ketone
Monosaccharide
1,3-aminoalcohol
Alpha-aminoketone
Alpha-hydroxy ketone
Amino acid
Ketone
Secondary alcohol
Polyol
Carboxylic acid
Secondary amine
Monocarboxylic acid or derivatives
Secondary aliphatic amine
Alcohol
Organic oxygen compound
Organonitrogen compound
Carbonyl group
Hydrocarbon derivative
Amine
Organic nitrogen compound
Organic oxide
Organopnictogen compound
Organooxygen compound
Primary alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

glycine derivative (CHEBI:24108 )
glyco-amino acid (CHEBI:24108 )
fructosamine (CHEBI:24108 )

Ontology

Not Available

Exogenous (HMDB: HMDB0060278)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	102 g/L	ALOGPS
logP	-3	ALOGPS
logP	-5.9	ChemAxon
logS	-0.37	ALOGPS
pKa (Strongest Acidic)	1.33	ChemAxon
pKa (Strongest Basic)	10.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	147.32 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	50.08 m³·mol⁻¹	ChemAxon
Polarizability	21.62 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	155.183	31661259
DarkChem	[M-H]-	147.872	31661259
DeepCCS	[M+H]+	152.028	30932474
DeepCCS	[M-H]-	149.677	30932474
DeepCCS	[M-2H]-	183.65	30932474
DeepCCS	[M+Na]+	158.358	30932474
AllCCS	[M+H]+	150.2	32859911
AllCCS	[M+H-H2O]+	146.8	32859911
AllCCS	[M+NH4]+	153.3	32859911
AllCCS	[M+Na]+	154.2	32859911
AllCCS	[M-H]-	148.3	32859911
AllCCS	[M+Na-2H]-	148.7	32859911
AllCCS	[M+HCOO]-	149.4	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	1.2 minutes	32390414
Predicted by Siyang on May 30, 2022	10.4743 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	9.33 minutes	32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	501.9 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	303.7 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	23.1 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	176.2 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	81.4 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	310.5 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	242.5 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	865.7 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	603.5 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	46.5 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	850.4 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	202.7 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	301.9 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	719.1 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	470.3 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	418.4 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Fructoseglycine	[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)CNCC(O)=O	3485.4	Standard polar	33892256
Fructoseglycine	[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)CNCC(O)=O	1899.8	Standard non polar	33892256
Fructoseglycine	[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)CNCC(O)=O	2220.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Fructoseglycine,1TMS,isomer #1	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)C(=O)CNCC(=O)O	2121.0	Semi standard non polar	33892256
Fructoseglycine,1TMS,isomer #2	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CNCC(=O)O	2144.0	Semi standard non polar	33892256
Fructoseglycine,1TMS,isomer #3	C[Si](C)(C)O[C@@H]([C@H](O)C(=O)CNCC(=O)O)[C@H](O)CO	2091.9	Semi standard non polar	33892256
Fructoseglycine,1TMS,isomer #4	C[Si](C)(C)O[C@H](C(=O)CNCC(=O)O)[C@H](O)[C@H](O)CO	2079.5	Semi standard non polar	33892256
Fructoseglycine,1TMS,isomer #5	C[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO	2185.3	Semi standard non polar	33892256
Fructoseglycine,1TMS,isomer #6	C[Si](C)(C)OC(CNCC(=O)O)=C(O)[C@H](O)[C@H](O)CO	2251.2	Semi standard non polar	33892256
Fructoseglycine,1TMS,isomer #7	C[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO	2269.4	Semi standard non polar	33892256
Fructoseglycine,1TMS,isomer #8	C[Si](C)(C)N(CC(=O)O)CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO	2177.5	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=O)CNCC(=O)O	2167.3	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #10	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CNCC(=O)O[Si](C)(C)C	2216.9	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #11	C[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O)=C(CNCC(=O)O)O[Si](C)(C)C	2279.1	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #12	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=CNCC(=O)O)O[Si](C)(C)C	2291.6	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #13	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C	2212.2	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #14	C[Si](C)(C)O[C@H](C(=O)CNCC(=O)O)[C@H](O[Si](C)(C)C)[C@H](O)CO	2115.4	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #15	C[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	2140.0	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #16	C[Si](C)(C)OC(CNCC(=O)O)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)CO	2255.4	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #17	C[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	2270.3	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #18	C[Si](C)(C)O[C@@H]([C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C)[C@H](O)CO	2177.9	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #19	C[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	2128.2	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #2	C[Si](C)(C)O[C@@H]([C@H](O)C(=O)CNCC(=O)O)[C@@H](CO)O[Si](C)(C)C	2139.7	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #20	C[Si](C)(C)OC(CNCC(=O)O)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)CO	2234.6	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #21	C[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	2272.8	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #22	C[Si](C)(C)O[C@H](C(=O)CN(CC(=O)O)[Si](C)(C)C)[C@H](O)[C@H](O)CO	2182.6	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #23	C[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C)=C(O)[C@H](O)[C@H](O)CO	2267.4	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #24	C[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO	2304.3	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #25	C[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)[Si](C)(C)C	2253.0	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #26	C[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C)=C(O)[C@H](O)[C@H](O)CO	2285.3	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #27	C[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO	2377.7	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #3	C[Si](C)(C)O[C@H](C(=O)CNCC(=O)O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	2144.0	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #4	C[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	2181.0	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #5	C[Si](C)(C)OC(CNCC(=O)O)=C(O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	2275.4	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #6	C[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	2288.3	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #7	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C	2197.6	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #8	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)CNCC(=O)O	2140.8	Semi standard non polar	33892256
Fructoseglycine,2TMS,isomer #9	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)CNCC(=O)O	2141.0	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)CNCC(=O)O	2172.2	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #10	C[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2290.6	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #11	C[Si](C)(C)O[C@@H]([C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2224.2	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #12	C[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	2178.9	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #13	C[Si](C)(C)OC(CNCC(=O)O)=C(O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	2255.3	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #14	C[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	2298.2	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #15	C[Si](C)(C)O[C@H](C(=O)CN(CC(=O)O)[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	2238.4	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #16	C[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C)=C(O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	2264.0	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #17	C[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	2314.0	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #18	C[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2256.3	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #19	C[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C)=C(O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	2338.9	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)CNCC(=O)O	2181.7	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #20	C[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	2380.6	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #21	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CNCC(=O)O	2182.3	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #22	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)CNCC(=O)O[Si](C)(C)C	2178.3	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #23	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O)=C(CNCC(=O)O)O[Si](C)(C)C	2286.4	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #24	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=CNCC(=O)O)O[Si](C)(C)C	2292.5	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #25	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C	2226.4	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #26	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)CNCC(=O)O[Si](C)(C)C	2184.7	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #27	C[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O[Si](C)(C)C)=C(CNCC(=O)O)O[Si](C)(C)C	2251.5	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #28	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=CNCC(=O)O)O[Si](C)(C)C	2300.9	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #29	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)CN(CC(=O)O)[Si](C)(C)C	2257.2	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #3	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=O)CNCC(=O)O[Si](C)(C)C	2186.4	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #30	C[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O)=C(CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C	2264.0	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #31	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C	2315.3	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #32	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2277.7	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #33	C[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O)=C(CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2336.3	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #34	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2385.3	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #35	C[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	2136.7	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #36	C[Si](C)(C)OC(CNCC(=O)O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	2231.1	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #37	C[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	2272.2	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #38	C[Si](C)(C)O[C@H](C(=O)CN(CC(=O)O)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	2224.2	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #39	C[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)CO	2232.8	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #4	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O)=C(CNCC(=O)O)O[Si](C)(C)C	2290.4	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #40	C[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	2268.9	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #41	C[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2230.3	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #42	C[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)CO	2321.2	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #43	C[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	2351.2	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #44	C[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)CO	2183.2	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #45	C[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	2269.5	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #46	C[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO)[Si](C)(C)C	2240.7	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #47	C[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)CO	2313.9	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #48	C[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	2345.3	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #49	C[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C)=C(O)[C@H](O)[C@H](O)CO)[Si](C)(C)C	2332.3	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #5	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=CNCC(=O)O)O[Si](C)(C)C	2315.1	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #50	C[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO)[Si](C)(C)C	2384.8	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #6	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C	2248.2	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #7	C[Si](C)(C)O[C@H](C(=O)CNCC(=O)O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2178.5	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #8	C[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2174.9	Semi standard non polar	33892256
Fructoseglycine,3TMS,isomer #9	C[Si](C)(C)OC(CNCC(=O)O)=C(O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2282.0	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CNCC(=O)O	2212.3	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #10	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O)=C(CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C	2275.0	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #11	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C	2328.1	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #12	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=O)CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2287.9	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #13	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O)=C(CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2359.2	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #14	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2406.8	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #15	C[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2220.2	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #16	C[Si](C)(C)OC(CNCC(=O)O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2274.3	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #17	C[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2315.2	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #18	C[Si](C)(C)O[C@H](C(=O)CN(CC(=O)O)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2258.1	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #19	C[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2275.7	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)CNCC(=O)O[Si](C)(C)C	2206.6	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #20	C[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2305.5	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #21	C[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2257.3	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #22	C[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2354.6	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #23	C[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2391.6	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #24	C[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	2246.2	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #25	C[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	2306.5	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #26	C[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2263.3	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #27	C[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	2336.3	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #28	C[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	2373.2	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #29	C[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C)=C(O)[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2366.3	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #3	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)=C(CNCC(=O)O)O[Si](C)(C)C	2301.3	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #30	C[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2395.3	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #31	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CNCC(=O)O[Si](C)(C)C	2219.0	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #32	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CNCC(=O)O)O[Si](C)(C)C	2273.8	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #33	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CNCC(=O)O)O[Si](C)(C)C	2299.8	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #34	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CN(CC(=O)O)[Si](C)(C)C	2263.2	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #35	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O)=C(CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C	2275.2	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #36	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C	2312.8	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #37	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2264.4	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #38	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O)=C(CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2361.5	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #39	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2390.7	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #4	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=CNCC(=O)O)O[Si](C)(C)C	2306.8	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #40	C[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O[Si](C)(C)C)=C(CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C	2240.1	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #41	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C	2296.6	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #42	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2290.4	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #43	C[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O[Si](C)(C)C)=C(CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2352.3	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #44	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2379.9	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #45	C[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2357.3	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #46	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2400.1	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #47	C[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	2225.9	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #48	C[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	2268.1	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #49	C[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2259.1	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #5	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C	2260.1	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #50	C[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	2334.7	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #51	C[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	2353.7	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #52	C[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2333.5	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #53	C[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2359.5	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #54	C[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)CO)[Si](C)(C)C	2327.3	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #55	C[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO)[Si](C)(C)C	2333.5	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #6	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)CNCC(=O)O[Si](C)(C)C	2217.6	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #7	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O[Si](C)(C)C)=C(CNCC(=O)O)O[Si](C)(C)C	2269.0	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #8	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=CNCC(=O)O)O[Si](C)(C)C	2319.4	Semi standard non polar	33892256
Fructoseglycine,4TMS,isomer #9	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)CN(CC(=O)O)[Si](C)(C)C	2274.6	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CNCC(=O)O[Si](C)(C)C	2258.3	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #10	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O[Si](C)(C)C)=C(CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C	2267.1	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #11	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C	2310.3	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #12	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2272.4	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #13	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O[Si](C)(C)C)=C(CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2344.3	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #14	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2391.1	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #15	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2366.8	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #16	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2415.8	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #17	C[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2278.1	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #18	C[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2303.1	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #19	C[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2271.8	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CNCC(=O)O)O[Si](C)(C)C	2290.2	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #20	C[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2351.6	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #21	C[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2383.7	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #22	C[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2338.4	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #23	C[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2387.1	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #24	C[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2339.5	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #25	C[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2381.5	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #26	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C	2265.2	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #27	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C	2280.1	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #28	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2253.4	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #29	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2348.8	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #3	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CNCC(=O)O)O[Si](C)(C)C	2327.1	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #30	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2384.7	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #31	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2344.8	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #32	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2391.2	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #33	C[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O[Si](C)(C)C)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2355.5	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #34	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2389.9	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #35	C[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2337.8	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #36	C[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2359.1	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #4	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CN(CC(=O)O)[Si](C)(C)C	2274.3	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #5	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)=C(CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C	2269.4	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #6	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C	2299.6	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #7	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2273.0	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #8	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)=C(CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2351.3	Semi standard non polar	33892256
Fructoseglycine,5TMS,isomer #9	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2406.4	Semi standard non polar	33892256
Fructoseglycine,6TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C	2330.2	Semi standard non polar	33892256
Fructoseglycine,6TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C	2314.9	Standard non polar	33892256
Fructoseglycine,6TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C	2375.9	Standard polar	33892256
Fructoseglycine,6TMS,isomer #10	C[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2356.1	Semi standard non polar	33892256
Fructoseglycine,6TMS,isomer #10	C[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2324.3	Standard non polar	33892256
Fructoseglycine,6TMS,isomer #10	C[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2438.2	Standard polar	33892256
Fructoseglycine,6TMS,isomer #11	C[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2382.9	Semi standard non polar	33892256
Fructoseglycine,6TMS,isomer #11	C[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2239.1	Standard non polar	33892256
Fructoseglycine,6TMS,isomer #11	C[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2512.3	Standard polar	33892256
Fructoseglycine,6TMS,isomer #12	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2339.9	Semi standard non polar	33892256
Fructoseglycine,6TMS,isomer #12	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2326.6	Standard non polar	33892256
Fructoseglycine,6TMS,isomer #12	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2453.0	Standard polar	33892256
Fructoseglycine,6TMS,isomer #13	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2361.8	Semi standard non polar	33892256
Fructoseglycine,6TMS,isomer #13	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2251.7	Standard non polar	33892256
Fructoseglycine,6TMS,isomer #13	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2528.4	Standard polar	33892256
Fructoseglycine,6TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C	2339.9	Semi standard non polar	33892256
Fructoseglycine,6TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C	2258.5	Standard non polar	33892256
Fructoseglycine,6TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CNCC(=O)O[Si](C)(C)C)O[Si](C)(C)C	2425.4	Standard polar	33892256
Fructoseglycine,6TMS,isomer #3	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2305.5	Semi standard non polar	33892256
Fructoseglycine,6TMS,isomer #3	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2321.6	Standard non polar	33892256
Fructoseglycine,6TMS,isomer #3	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2381.9	Standard polar	33892256
Fructoseglycine,6TMS,isomer #4	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2361.6	Semi standard non polar	33892256
Fructoseglycine,6TMS,isomer #4	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2300.1	Standard non polar	33892256
Fructoseglycine,6TMS,isomer #4	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2485.9	Standard polar	33892256
Fructoseglycine,6TMS,isomer #5	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2395.2	Semi standard non polar	33892256
Fructoseglycine,6TMS,isomer #5	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2211.9	Standard non polar	33892256
Fructoseglycine,6TMS,isomer #5	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O)[Si](C)(C)C)O[Si](C)(C)C	2562.7	Standard polar	33892256
Fructoseglycine,6TMS,isomer #6	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2344.5	Semi standard non polar	33892256
Fructoseglycine,6TMS,isomer #6	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2339.4	Standard non polar	33892256
Fructoseglycine,6TMS,isomer #6	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2495.9	Standard polar	33892256
Fructoseglycine,6TMS,isomer #7	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2390.3	Semi standard non polar	33892256
Fructoseglycine,6TMS,isomer #7	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2263.5	Standard non polar	33892256
Fructoseglycine,6TMS,isomer #7	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2582.9	Standard polar	33892256
Fructoseglycine,6TMS,isomer #8	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O[Si](C)(C)C)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2339.5	Semi standard non polar	33892256
Fructoseglycine,6TMS,isomer #8	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O[Si](C)(C)C)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2327.7	Standard non polar	33892256
Fructoseglycine,6TMS,isomer #8	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O[Si](C)(C)C)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2474.7	Standard polar	33892256
Fructoseglycine,6TMS,isomer #9	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2380.9	Semi standard non polar	33892256
Fructoseglycine,6TMS,isomer #9	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2252.7	Standard non polar	33892256
Fructoseglycine,6TMS,isomer #9	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2551.0	Standard polar	33892256
Fructoseglycine,7TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2393.8	Semi standard non polar	33892256
Fructoseglycine,7TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2385.4	Standard non polar	33892256
Fructoseglycine,7TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2425.2	Standard polar	33892256
Fructoseglycine,7TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2424.6	Semi standard non polar	33892256
Fructoseglycine,7TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2304.6	Standard non polar	33892256
Fructoseglycine,7TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=CN(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2471.7	Standard polar	33892256
Fructoseglycine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)C(=O)CNCC(=O)O	2372.8	Semi standard non polar	33892256
Fructoseglycine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CNCC(=O)O	2411.2	Semi standard non polar	33892256
Fructoseglycine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O)C(=O)CNCC(=O)O)[C@H](O)CO	2352.7	Semi standard non polar	33892256
Fructoseglycine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H](C(=O)CNCC(=O)O)[C@H](O)[C@H](O)CO	2351.5	Semi standard non polar	33892256
Fructoseglycine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO	2424.0	Semi standard non polar	33892256
Fructoseglycine,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(CNCC(=O)O)=C(O)[C@H](O)[C@H](O)CO	2501.9	Semi standard non polar	33892256
Fructoseglycine,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO	2500.3	Semi standard non polar	33892256
Fructoseglycine,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(CC(=O)O)CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO	2472.7	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C(=O)CNCC(=O)O	2606.2	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CNCC(=O)O[Si](C)(C)C(C)(C)C	2684.6	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O)=C(CNCC(=O)O)O[Si](C)(C)C(C)(C)C	2734.5	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=CNCC(=O)O)O[Si](C)(C)C(C)(C)C	2747.0	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C	2717.3	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H](C(=O)CNCC(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	2585.0	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	2640.9	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(CNCC(=O)O)=C(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	2731.9	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	2724.9	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@H](O)CO	2676.8	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO	2631.7	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O)C(=O)CNCC(=O)O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2606.6	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(CNCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO	2716.0	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO	2715.7	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@H](C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO	2685.2	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](O)[C@H](O)CO	2753.9	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO	2775.0	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	2739.2	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)=C(O)[C@H](O)[C@H](O)CO	2767.3	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO	2834.5	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H](C(=O)CNCC(=O)O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2613.5	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2660.0	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(CNCC(=O)O)=C(O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2732.6	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2750.4	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C	2686.2	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)CNCC(=O)O	2622.2	Semi standard non polar	33892256
Fructoseglycine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CNCC(=O)O	2610.3	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)CNCC(=O)O	2845.5	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2975.3	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2930.4	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2897.7	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(CNCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2959.5	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2953.9	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@H](C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2937.5	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3005.2	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3009.2	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2955.8	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)=C(O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2987.8	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CNCC(=O)O	2852.1	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3025.6	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CNCC(=O)O	2853.4	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)CNCC(=O)O[Si](C)(C)C(C)(C)C	2899.5	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)=C(CNCC(=O)O)O[Si](C)(C)C(C)(C)C	2974.4	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=CNCC(=O)O)O[Si](C)(C)C(C)(C)C	2975.4	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C	2937.6	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CNCC(=O)O[Si](C)(C)C(C)(C)C	2900.9	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(CNCC(=O)O)O[Si](C)(C)C(C)(C)C	2954.8	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=CNCC(=O)O)O[Si](C)(C)C(C)(C)C	2951.2	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C	2933.1	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C(=O)CNCC(=O)O[Si](C)(C)C(C)(C)C	2891.8	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O)=C(CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2977.2	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2994.3	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2967.6	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O)=C(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2980.9	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3024.6	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	2877.2	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(CNCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	2929.5	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	2920.0	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)O[C@H](C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	2915.5	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	2982.8	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(O)=C(CNCC(=O)O)O[Si](C)(C)C(C)(C)C	2958.7	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	2975.4	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	2955.3	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)=C(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	2988.4	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3008.9	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO	2950.0	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO	2943.4	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	2956.0	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO	2979.8	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO	2980.7	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	2984.3	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C(=CNCC(=O)O)O[Si](C)(C)C(C)(C)C	2987.1	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3033.2	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C	2921.2	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H](C(=O)CNCC(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2846.5	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2886.1	Semi standard non polar	33892256
Fructoseglycine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(CNCC(=O)O)=C(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2962.6	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CNCC(=O)O	3072.8	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(O)=C(CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3187.5	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C(=CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3203.9	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C(=O)CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3175.1	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(O)=C(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3206.1	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3233.7	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)CNCC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3089.3	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(CNCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3149.2	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=CNCC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3160.0	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@H](C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3164.6	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3191.4	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)CNCC(=O)O[Si](C)(C)C(C)(C)C	3095.6	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3198.2	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3175.7	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)=C(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3211.9	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3237.5	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3181.9	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3160.4	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3183.2	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3224.0	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3221.8	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3223.9	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)=C(CNCC(=O)O)O[Si](C)(C)C(C)(C)C	3166.9	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3260.4	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CNCC(=O)O[Si](C)(C)C(C)(C)C	3098.5	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CNCC(=O)O)O[Si](C)(C)C(C)(C)C	3152.2	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=CNCC(=O)O)O[Si](C)(C)C(C)(C)C	3156.9	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C	3171.3	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)=C(CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3211.4	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3202.5	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3190.0	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)=C(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3223.1	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3242.9	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=CNCC(=O)O)O[Si](C)(C)C(C)(C)C	3194.1	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3166.2	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3161.3	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3186.5	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3214.6	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3217.8	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O)=C(CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3198.1	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)C(=CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3235.3	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3143.0	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3141.0	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3171.1	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C	3162.8	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3196.9	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3196.2	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3213.5	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3232.4	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3200.1	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3198.4	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CNCC(=O)O[Si](C)(C)C(C)(C)C	3101.0	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(CNCC(=O)O)O[Si](C)(C)C(C)(C)C	3155.2	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=CNCC(=O)O)O[Si](C)(C)C(C)(C)C	3159.3	Semi standard non polar	33892256
Fructoseglycine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C	3172.5	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CNCC(=O)O[Si](C)(C)C(C)(C)C	3296.4	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3355.2	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3360.0	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3382.0	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3425.4	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3422.5	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(O)=C(CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3399.4	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C(=CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3432.7	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)CNCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3345.2	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)CNC=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3355.5	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)CN(CC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3378.2	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CNCC(=O)O)O[Si](C)(C)C(C)(C)C	3355.5	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3424.5	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3421.1	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3419.5	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3443.4	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3412.9	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3428.5	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3354.6	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3352.3	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3381.3	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3422.4	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=CNCC(=O)O)O[Si](C)(C)C(C)(C)C	3370.8	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3417.6	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)=C(CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3425.6	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3448.2	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3397.1	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3416.9	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)CN(CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3399.1	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(=O)CN(C=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3398.2	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CN(CC(=O)O)[Si](C)(C)C(C)(C)C	3393.8	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)=C(CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3358.8	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=CNCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3401.8	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)CN(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3375.6	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)=C(CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3422.3	Semi standard non polar	33892256
Fructoseglycine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=CN(CC(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3436.3	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Fructoseglycine GC-MS (Non-derivatized) - 70eV, Positive	splash10-029i-9410000000-5f2a9367a8664bd5d7ba	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructoseglycine GC-MS (5 TMS) - 70eV, Positive	splash10-08gi-3911770000-b201d32fe5b109bfba04	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_2_16) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_2_17) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_3_9) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_3_10) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_3_23) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_3_24) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_3_36) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_3_37) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_4_16) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_4_17) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_4_32) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_4_33) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_4_35) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_4_36) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_5_26) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructoseglycine GC-MS (TBDMS_5_27) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructoseglycine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fructoseglycine GC-MS ("Fructoseglycine,2TBDMS,#16" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructoseglycine 10V, Positive-QTOF	splash10-007c-4590000000-eac268e66d600591eb4e	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructoseglycine 20V, Positive-QTOF	splash10-03dr-9210000000-33d6cb6aad56d322ab0f	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructoseglycine 40V, Positive-QTOF	splash10-0006-9000000000-6e9531840d644140efa7	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructoseglycine 10V, Negative-QTOF	splash10-007d-5920000000-67e5884f99c38e3c04ef	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructoseglycine 20V, Negative-QTOF	splash10-06xx-9600000000-3c2b8b229c3233606379	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructoseglycine 40V, Negative-QTOF	splash10-0ab9-9100000000-5bb6d0eb19c90f04d021	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructoseglycine 10V, Positive-QTOF	splash10-0079-1390000000-90b9e2db52c64db5c3ab	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructoseglycine 20V, Positive-QTOF	splash10-0uki-9600000000-5fdb46b770065af8b132	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructoseglycine 40V, Positive-QTOF	splash10-05fr-9000000000-c92127bd0dff23e597f3	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructoseglycine 10V, Negative-QTOF	splash10-00n1-1960000000-c3d6e48a729ac1cbc6d4	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructoseglycine 20V, Negative-QTOF	splash10-056s-6900000000-c438a30ed79ffb083831	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fructoseglycine 40V, Negative-QTOF	splash10-0ab9-9000000000-a9197b0e1182975832e9	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Asthma	33739820	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Asthma	33739820	details

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

2339006

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

3081391

PDB ID

Not Available

ChEBI ID

24108

Food Biomarker Ontology

Not Available

VMH ID

CE2847

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Thiele I, Swainston N, Fleming RM, Hoppe A, Sahoo S, Aurich MK, Haraldsdottir H, Mo ML, Rolfsson O, Stobbe MD, Thorleifsson SG, Agren R, Bolling C, Bordel S, Chavali AK, Dobson P, Dunn WB, Endler L, Hala D, Hucka M, Hull D, Jameson D, Jamshidi N, Jonsson JJ, Juty N, Keating S, Nookaew I, Le Novere N, Malys N, Mazein A, Papin JA, Price ND, Selkov E Sr, Sigurdsson MI, Simeonidis E, Sonnenschein N, Smallbone K, Sorokin A, van Beek JH, Weichart D, Goryanin I, Nielsen J, Westerhoff HV, Kell DB, Mendes P, Palsson BO: A community-driven global reconstruction of human metabolism. Nat Biotechnol. 2013 May;31(5):419-25. doi: 10.1038/nbt.2488. Epub 2013 Mar 3. [PubMed:23455439 ]

Showing metabocard for Fructoseglycine (HMDB0060278)

MOL for HMDB0060278 (Fructoseglycine)

3D MOL for HMDB0060278 (Fructoseglycine)

3D SDF for HMDB0060278 (Fructoseglycine)

3D-SDF for HMDB0060278 (Fructoseglycine)

PDB for HMDB0060278 (Fructoseglycine)

3D PDB for HMDB0060278 (Fructoseglycine)

SMILES for HMDB0060278 (Fructoseglycine)

INCHI for HMDB0060278 (Fructoseglycine)

Structure for HMDB0060278 (Fructoseglycine)

3D Structure for HMDB0060278 (Fructoseglycine)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra