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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 23:40:12 UTC

Update Date

2021-09-26 23:18:05 UTC

HMDB ID

HMDB0260134

Secondary Accession Numbers

None

Metabolite Identification

Common Name

(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid

Description

(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid belongs to the class of organic compounds known as organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O. Based on a literature review very few articles have been published on (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). (2s,4r,5s)-4,5,6-trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

HMDB0260134
     RDKit          3D
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexan...
 33 32  0  0  0  0  0  0  0  0999 V2000
   -0.2643   -2.6310    1.2218 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4990   -1.6560    1.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6230   -1.5518    1.8615 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1826   -0.6232    0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    0.3192    0.1554 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1239    0.4103   -1.2403 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.2471    0.6815   -2.4542 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9085   -1.0713   -1.5200 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2997    1.5891   -1.0502 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7816    0.9418   -0.5644 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.4344    0.1456   -1.6753 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8151    2.1877   -0.0896 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5971   -0.1001    0.7514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1300    0.0367    0.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1144    1.2326    0.5531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4453   -0.5943    0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4008   -1.9444   -0.0841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4547    0.1155   -0.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1989    0.0524   -1.9644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7492    1.5073   -0.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9871    1.4339    1.2634 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517   -2.1778    2.6199 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2659   -1.0629   -0.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271   -1.7872   -1.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3384    3.0437    0.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9457   -0.8260    0.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8707   -0.5632    1.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2866   -2.3510    0.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4210   -0.4559   -0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5376   -0.7762   -2.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9848    2.2532   -0.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7260    1.8558   -0.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9850    2.3663    1.5936 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  2  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 10 13  1  0
  4 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
  3 22  1  0
  4 23  1  0
  8 24  1  0
 12 25  1  0
 13 26  1  0
 16 27  1  0
 17 28  1  0
 18 29  1  0
 19 30  1  0
 20 31  1  0
 20 32  1  0
 21 33  1  0
M  END


  Mrv1652309122101402D          

 21 20  0  0  0  0            999 V2000
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    3.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    3.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4599    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618    2.2539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4763    1.8414    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.1908    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8888    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0638    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
  2 20  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0260134

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC(O)C(O)C(=O)C(OP(O)(=O)OP(O)(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H12O13P2/c7-1-2(8)3(9)4(10)5(6(11)12)18-21(16,17)19-20(13,14)15/h2-3,5,7-9H,1H2,(H,11,12)(H,16,17)(H2,13,14,15)

> <INCHI_KEY>
MWKCAAZRJZZSMC-UHFFFAOYSA-N

> <FORMULA>
C6H12O13P2

> <MOLECULAR_WEIGHT>
354.097

> <EXACT_MASS>
353.975314442

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
33

> <JCHEM_AVERAGE_POLARIZABILITY>
25.061660727271203

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4,5,6-trihydroxy-2-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3-oxohexanoic acid

> <ALOGPS_LOGP>
-1.29

> <JCHEM_LOGP>
-3.1877434289999997

> <ALOGPS_LOGS>
-1.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.886687962641116

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.695749521593052

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5594184261628703

> <JCHEM_POLAR_SURFACE_AREA>
228.34999999999997

> <JCHEM_REFRACTIVITY>
59.3252

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.18e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,5,6-trihydroxy-2-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3-oxohexanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0260134
     RDKit          3D
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexan...
 33 32  0  0  0  0  0  0  0  0999 V2000
   -0.2643   -2.6310    1.2218 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4990   -1.6560    1.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6230   -1.5518    1.8615 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1826   -0.6232    0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    0.3192    0.1554 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1239    0.4103   -1.2403 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.2471    0.6815   -2.4542 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9085   -1.0713   -1.5200 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2997    1.5891   -1.0502 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7816    0.9418   -0.5644 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.4344    0.1456   -1.6753 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8151    2.1877   -0.0896 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5971   -0.1001    0.7514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1300    0.0367    0.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1144    1.2326    0.5531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4453   -0.5943    0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4008   -1.9444   -0.0841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4547    0.1155   -0.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1989    0.0524   -1.9644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7492    1.5073   -0.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9871    1.4339    1.2634 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517   -2.1778    2.6199 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2659   -1.0629   -0.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271   -1.7872   -1.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3384    3.0437    0.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9457   -0.8260    0.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8707   -0.5632    1.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2866   -2.3510    0.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4210   -0.4559   -0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5376   -0.7762   -2.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9848    2.2532   -0.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7260    1.8558   -0.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9850    2.3663    1.5936 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  2  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 10 13  1  0
  4 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
  3 22  1  0
  4 23  1  0
  8 24  1  0
 12 25  1  0
 13 26  1  0
 16 27  1  0
 17 28  1  0
 18 29  1  0
 19 30  1  0
 20 31  1  0
 20 32  1  0
 21 33  1  0
M  END

HEADER    PROTEIN                                 12-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-21         0                                  
HETATM    1  C   UNK     0       3.286   3.437   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.620   2.667   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.954   3.437   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.287   2.667   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       7.287   1.127   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       8.621   3.437   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.621   4.977   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       9.955   5.747   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       7.287   5.747   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       9.955   2.667   0.000  0.00  0.00           O+0
HETATM   11  P   UNK     0      11.288   3.437   0.000  0.00  0.00           P+0
HETATM   12  O   UNK     0      10.518   4.771   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      12.058   2.104   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      12.622   4.207   0.000  0.00  0.00           O+0
HETATM   15  P   UNK     0      13.956   3.437   0.000  0.00  0.00           P+0
HETATM   16  O   UNK     0      15.289   2.667   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      14.726   4.771   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      13.186   2.104   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       5.954   4.977   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       4.620   1.127   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       1.953   2.667   0.000  0.00  0.00           O+0
CONECT    1    2   21                                                       
CONECT    2    1    3   20                                                  
CONECT    3    2    4   19                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   10                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    6   11                                                       
CONECT   11   10   12   13   14                                             
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   11   15                                                       
CONECT   15   14   16   17   18                                             
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   15                                                            
CONECT   19    3                                                            
CONECT   20    2                                                            
CONECT   21    1                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   40    0
END

COMPND    HMDB0260134
HETATM    1  O1  UNL     1      -0.264  -2.631   1.222  1.00  0.00           O  
HETATM    2  C1  UNL     1       0.499  -1.656   1.083  1.00  0.00           C  
HETATM    3  O2  UNL     1       1.623  -1.552   1.862  1.00  0.00           O  
HETATM    4  C2  UNL     1       0.183  -0.623   0.080  1.00  0.00           C  
HETATM    5  O3  UNL     1       1.215   0.319   0.155  1.00  0.00           O  
HETATM    6  P1  UNL     1       2.124   0.410  -1.240  1.00  0.00           P  
HETATM    7  O4  UNL     1       1.247   0.682  -2.454  1.00  0.00           O  
HETATM    8  O5  UNL     1       2.909  -1.071  -1.520  1.00  0.00           O  
HETATM    9  O6  UNL     1       3.300   1.589  -1.050  1.00  0.00           O  
HETATM   10  P2  UNL     1       4.782   0.942  -0.564  1.00  0.00           P  
HETATM   11  O7  UNL     1       5.434   0.146  -1.675  1.00  0.00           O  
HETATM   12  O8  UNL     1       5.815   2.188  -0.090  1.00  0.00           O  
HETATM   13  O9  UNL     1       4.597  -0.100   0.751  1.00  0.00           O  
HETATM   14  C3  UNL     1      -1.130   0.037   0.300  1.00  0.00           C  
HETATM   15  O10 UNL     1      -1.114   1.233   0.553  1.00  0.00           O  
HETATM   16  C4  UNL     1      -2.445  -0.594   0.245  1.00  0.00           C  
HETATM   17  O11 UNL     1      -2.401  -1.944  -0.084  1.00  0.00           O  
HETATM   18  C5  UNL     1      -3.455   0.115  -0.618  1.00  0.00           C  
HETATM   19  O12 UNL     1      -3.199   0.052  -1.964  1.00  0.00           O  
HETATM   20  C6  UNL     1      -3.749   1.507  -0.116  1.00  0.00           C  
HETATM   21  O13 UNL     1      -3.987   1.434   1.263  1.00  0.00           O  
HETATM   22  H1  UNL     1       1.852  -2.178   2.620  1.00  0.00           H  
HETATM   23  H2  UNL     1       0.266  -1.063  -0.935  1.00  0.00           H  
HETATM   24  H3  UNL     1       2.427  -1.787  -1.028  1.00  0.00           H  
HETATM   25  H4  UNL     1       5.338   3.044   0.072  1.00  0.00           H  
HETATM   26  H5  UNL     1       3.946  -0.826   0.564  1.00  0.00           H  
HETATM   27  H6  UNL     1      -2.871  -0.563   1.293  1.00  0.00           H  
HETATM   28  H7  UNL     1      -3.287  -2.351   0.131  1.00  0.00           H  
HETATM   29  H8  UNL     1      -4.421  -0.456  -0.466  1.00  0.00           H  
HETATM   30  H9  UNL     1      -3.538  -0.776  -2.389  1.00  0.00           H  
HETATM   31  H10 UNL     1      -2.985   2.253  -0.385  1.00  0.00           H  
HETATM   32  H11 UNL     1      -4.726   1.856  -0.549  1.00  0.00           H  
HETATM   33  H12 UNL     1      -3.985   2.366   1.594  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   22
CONECT    4    5   14   23
CONECT    5    6
CONECT    6    7    7    8    9
CONECT    8   24
CONECT    9   10
CONECT   10   11   11   12   13
CONECT   12   25
CONECT   13   26
CONECT   14   15   15   16
CONECT   16   17   18   27
CONECT   17   28
CONECT   18   19   20   29
CONECT   19   30
CONECT   20   21   31   32
CONECT   21   33
END

HMDB0260134
     RDKit          3D
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexan...
 33 32  0  0  0  0  0  0  0  0999 V2000
   -0.2643   -2.6310    1.2218 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4990   -1.6560    1.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6230   -1.5518    1.8615 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1826   -0.6232    0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    0.3192    0.1554 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1239    0.4103   -1.2403 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.2471    0.6815   -2.4542 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9085   -1.0713   -1.5200 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2997    1.5891   -1.0502 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7816    0.9418   -0.5644 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.4344    0.1456   -1.6753 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8151    2.1877   -0.0896 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5971   -0.1001    0.7514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1300    0.0367    0.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1144    1.2326    0.5531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4453   -0.5943    0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4008   -1.9444   -0.0841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4547    0.1155   -0.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1989    0.0524   -1.9644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7492    1.5073   -0.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9871    1.4339    1.2634 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517   -2.1778    2.6199 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2659   -1.0629   -0.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271   -1.7872   -1.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3384    3.0437    0.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9457   -0.8260    0.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8707   -0.5632    1.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2866   -2.3510    0.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4210   -0.4559   -0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5376   -0.7762   -2.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9848    2.2532   -0.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7260    1.8558   -0.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9850    2.3663    1.5936 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  2  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 10 13  1  0
  4 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
  3 22  1  0
  4 23  1  0
  8 24  1  0
 12 25  1  0
 13 26  1  0
 16 27  1  0
 17 28  1  0
 18 29  1  0
 19 30  1  0
 20 31  1  0
 20 32  1  0
 21 33  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoate	Generator
4,5,6-Trihydroxy-2-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3-oxohexanoate	HMDB

Chemical Formula

C₆H₁₂O₁₃P₂

Average Molecular Weight

354.097

Monoisotopic Molecular Weight

353.975314442

IUPAC Name

4,5,6-trihydroxy-2-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3-oxohexanoic acid

Traditional Name

4,5,6-trihydroxy-2-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3-oxohexanoic acid

CAS Registry Number

Not Available

SMILES

OCC(O)C(O)C(=O)C(OP(O)(=O)OP(O)(O)=O)C(O)=O

InChI Identifier

InChI=1S/C6H12O13P2/c7-1-2(8)3(9)4(10)5(6(11)12)18-21(16,17)19-20(13,14)15/h2-3,5,7-9H,1H2,(H,11,12)(H,16,17)(H2,13,14,15)

InChI Key

MWKCAAZRJZZSMC-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organic oxoanionic compounds

Sub Class

Organic pyrophosphates

Direct Parent

Organic pyrophosphates

Alternative Parents

Substituents

Organic pyrophosphate
Medium-chain keto acid
Monoalkyl phosphate
Beta-keto acid
Keto acid
Acyloin
Monosaccharide
Organic phosphoric acid derivative
Beta-hydroxy ketone
Phosphoric acid ester
Alkyl phosphate
1,3-dicarbonyl compound
Alpha-hydroxy ketone
Secondary alcohol
Ketone
Carboxylic acid
Monocarboxylic acid or derivatives
Polyol
Carboxylic acid derivative
Organic oxide
Carbonyl group
Organooxygen compound
Primary alcohol
Hydrocarbon derivative
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

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
logP	-1.3	ALOGPS
logP	-3.2	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Acidic)	1.7	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	228.35 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	59.33 m³·mol⁻¹	ChemAxon
Polarizability	25.06 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
AllCCS	[M+H]+	170.523	32859911
AllCCS	[M+H-H2O]+	167.773	32859911
AllCCS	[M+Na]+	173.788	32859911
AllCCS	[M+NH4]+	173.06	32859911
AllCCS	[M-H]-	160.219	32859911
AllCCS	[M+Na-2H]-	160.315	32859911
AllCCS	[M+HCOO]-	160.538	32859911
DeepCCS	[M+H]+	156.254	30932474
DeepCCS	[M-H]-	153.896	30932474
DeepCCS	[M-2H]-	187.113	30932474
DeepCCS	[M+Na]+	162.347	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid	OCC(O)C(O)C(=O)C(OP(O)(=O)OP(O)(O)=O)C(O)=O	3874.9	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid	OCC(O)C(O)C(=O)C(OP(O)(=O)OP(O)(O)=O)C(O)=O	2297.3	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid	OCC(O)C(O)C(=O)C(OP(O)(=O)OP(O)(O)=O)C(O)=O	2883.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2634.2	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2707.3	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	3617.2	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #10	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2735.2	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #10	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2704.8	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #10	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O	3774.6	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #11	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2667.4	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #11	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2728.1	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #11	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3515.6	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #12	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2729.6	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #12	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2713.6	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #12	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	3742.3	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #13	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2704.7	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #13	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2755.1	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #13	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	3777.6	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #14	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2658.7	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #14	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2731.2	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #14	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3489.7	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #15	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2726.4	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #15	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2701.1	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #15	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3781.1	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #16	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2707.3	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #16	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2745.1	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #16	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3822.6	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #17	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2700.7	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #17	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2715.8	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #17	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3297.8	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #18	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2786.7	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #18	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2737.3	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #18	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	3574.6	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #19	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2750.8	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #19	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2769.6	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #19	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	3618.5	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2627.6	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2711.3	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3677.8	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #20	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2774.0	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #20	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2736.7	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #20	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3535.4	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #21	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2746.7	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #21	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2770.1	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #21	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3592.6	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #22	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2679.2	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #22	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2739.1	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #22	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3464.7	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #23	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2738.2	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #23	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2706.6	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #23	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	3720.7	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #24	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2683.3	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #24	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2713.7	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #24	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	3713.1	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #25	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2672.2	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #25	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2745.3	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #25	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3442.5	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #26	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2731.5	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #26	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2695.3	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #26	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3760.5	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #27	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2690.4	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #27	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2703.1	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #27	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3765.5	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #28	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2730.4	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #28	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2716.0	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #28	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3252.3	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #29	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2797.9	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #29	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2733.1	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #29	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	3554.6	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2720.4	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2674.7	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O)O)C(=O)O[Si](C)(C)C	3910.3	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #30	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2744.0	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #30	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2735.6	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #30	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	3557.6	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #31	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2786.8	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #31	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2732.5	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #31	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3515.8	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #32	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2735.7	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #32	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2735.4	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #32	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3532.1	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #33	C[Si](C)(C)OCC(O)C(O)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2676.4	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #33	C[Si](C)(C)OCC(O)C(O)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2728.3	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #33	C[Si](C)(C)OCC(O)C(O)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3319.4	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #34	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2732.4	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #34	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2707.5	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #34	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3607.9	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #35	C[Si](C)(C)OCC(O)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2727.2	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #35	C[Si](C)(C)OCC(O)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2767.0	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #35	C[Si](C)(C)OCC(O)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3625.1	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #36	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2716.7	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #36	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2705.4	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #36	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3570.5	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #37	C[Si](C)(C)OCC(O)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2720.9	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #37	C[Si](C)(C)OCC(O)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2763.5	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #37	C[Si](C)(C)OCC(O)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3601.6	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #38	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2804.9	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #38	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2725.8	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #38	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3375.0	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #39	C[Si](C)(C)OCC(O)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2765.8	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #39	C[Si](C)(C)OCC(O)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2773.8	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #39	C[Si](C)(C)OCC(O)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3398.9	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2684.0	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2667.6	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O)O)C(=O)O[Si](C)(C)C	3924.4	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #40	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2664.3	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #40	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2725.8	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #40	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	3482.4	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #41	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2705.8	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #41	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2702.3	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #41	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	3716.7	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #42	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2738.4	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #42	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2696.0	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #42	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	3735.7	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #43	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2658.7	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #43	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2731.3	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #43	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	3460.4	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #44	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2716.5	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #44	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2692.1	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #44	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	3768.8	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #45	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2735.4	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #45	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2685.7	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #45	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	3775.0	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #46	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2714.1	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #46	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2711.5	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #46	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3271.3	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #47	C[Si](C)(C)OC(=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2797.8	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #47	C[Si](C)(C)OC(=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2725.6	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #47	C[Si](C)(C)OC(=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	3572.7	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #48	C[Si](C)(C)OC(=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O)C(CO)O[Si](C)(C)C	2766.3	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #48	C[Si](C)(C)OC(=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O)C(CO)O[Si](C)(C)C	2722.7	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #48	C[Si](C)(C)OC(=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O)C(CO)O[Si](C)(C)C	3563.6	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #49	C[Si](C)(C)OC(=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2784.2	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #49	C[Si](C)(C)OC(=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2725.0	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #49	C[Si](C)(C)OC(=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	3534.0	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2688.4	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2697.8	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	3474.2	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #50	C[Si](C)(C)OC(=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)C(CO)O[Si](C)(C)C	2758.0	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #50	C[Si](C)(C)OC(=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)C(CO)O[Si](C)(C)C	2721.6	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #50	C[Si](C)(C)OC(=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)C(CO)O[Si](C)(C)C	3537.9	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #51	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)C(O)C(CO)O[Si](C)(C)C	2699.8	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #51	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)C(O)C(CO)O[Si](C)(C)C	2737.9	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #51	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)C(O)C(CO)O[Si](C)(C)C	3312.8	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #52	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C(CO)O[Si](C)(C)C	2747.9	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #52	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C(CO)O[Si](C)(C)C	2764.1	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #52	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C(CO)O[Si](C)(C)C	3607.3	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #53	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C	2765.2	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #53	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C	2717.0	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #53	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C	3593.3	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #54	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C(CO)O[Si](C)(C)C	2745.3	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #54	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C(CO)O[Si](C)(C)C	2761.3	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #54	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C(CO)O[Si](C)(C)C	3583.0	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #55	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C	2748.2	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #55	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C	2715.3	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #55	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C	3555.4	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #56	C[Si](C)(C)OC(=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)C(O)C(CO)O[Si](C)(C)C	2825.4	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #56	C[Si](C)(C)OC(=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)C(O)C(CO)O[Si](C)(C)C	2741.5	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #56	C[Si](C)(C)OC(=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)C(O)C(CO)O[Si](C)(C)C	3363.1	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #57	C[Si](C)(C)OC(=C(O)C(CO)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2776.2	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #57	C[Si](C)(C)OC(=C(O)C(CO)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2774.6	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #57	C[Si](C)(C)OC(=C(O)C(CO)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3383.9	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #58	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)C(O)CO	2691.8	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #58	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)C(O)CO	2727.6	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #58	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)C(O)CO	3293.1	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #59	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)CO	2703.4	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #59	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)CO	2714.1	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #59	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)CO	3590.9	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O	2770.0	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O	2719.7	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O	3716.2	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #60	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO	2750.9	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #60	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO	2691.6	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #60	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO	3608.7	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #61	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)CO	2698.1	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #61	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)CO	2716.1	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #61	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)CO	3572.0	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #62	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO	2736.0	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #62	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO	2688.9	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #62	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO	3571.6	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #63	C[Si](C)(C)OC(=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)C(O)CO	2822.9	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #63	C[Si](C)(C)OC(=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)C(O)CO	2716.4	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #63	C[Si](C)(C)OC(=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)C(O)CO	3376.8	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #64	C[Si](C)(C)OC(=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)C(O)CO	2752.0	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #64	C[Si](C)(C)OC(=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)C(O)CO	2736.4	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #64	C[Si](C)(C)OC(=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)C(O)CO	3370.3	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #65	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C(O)CO	2740.6	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #65	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C(O)CO	2759.5	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #65	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C(O)CO	3419.7	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #66	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(O)CO	2764.5	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #66	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(O)CO	2699.0	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #66	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(O)CO	3419.0	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #7	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O	2721.9	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #7	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O	2708.7	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #7	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O	3727.8	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #8	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2679.4	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #8	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2704.9	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #8	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3445.2	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #9	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2770.4	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #9	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2709.1	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,5TMS,isomer #9	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O	3754.9	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2656.4	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2751.2	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3340.7	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #10	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2751.7	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #10	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2737.7	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #10	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3392.4	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #11	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2733.8	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #11	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2734.0	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #11	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3411.0	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #12	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2681.1	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #12	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2759.6	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #12	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3173.8	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #13	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2733.7	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #13	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2741.2	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #13	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3448.5	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #14	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2724.3	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #14	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2787.6	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #14	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3478.1	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #15	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2717.7	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #15	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2736.0	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #15	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3408.3	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #16	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2718.1	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #16	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2784.1	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #16	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3451.7	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #17	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2795.0	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #17	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2762.8	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #17	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3238.8	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #18	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2770.7	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #18	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2787.8	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #18	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3276.7	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #19	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2694.1	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #19	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2763.0	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #19	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3130.7	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2708.7	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2715.5	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	3569.7	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #20	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2742.8	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #20	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2731.7	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #20	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3431.8	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #21	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2699.3	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #21	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2749.2	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #21	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3422.7	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #22	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2726.1	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #22	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2726.6	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #22	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3391.9	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #23	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2690.2	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #23	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2746.1	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #23	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3400.4	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #24	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2806.3	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #24	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2753.1	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #24	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3222.3	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #25	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2751.2	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #25	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2756.9	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #25	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3221.5	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #26	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2742.3	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #26	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2730.2	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #26	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3264.3	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #27	C[Si](C)(C)OCC(O)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2757.9	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #27	C[Si](C)(C)OCC(O)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2788.2	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #27	C[Si](C)(C)OCC(O)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3277.1	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #28	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2685.8	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #28	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2756.5	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #28	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	3148.2	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #29	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2727.0	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #29	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2739.2	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #29	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	3426.6	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2675.1	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2721.3	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	3566.8	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #30	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2743.1	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #30	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2725.1	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #30	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	3447.7	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #31	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2717.1	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #31	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2736.7	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #31	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	3404.2	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #32	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2725.4	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #32	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2720.0	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #32	C[Si](C)(C)OC(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	3408.0	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #33	C[Si](C)(C)OC(=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2801.0	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #33	C[Si](C)(C)OC(=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2749.0	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #33	C[Si](C)(C)OC(=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	3239.4	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #34	C[Si](C)(C)OC(=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)C(CO)O[Si](C)(C)C	2778.0	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #34	C[Si](C)(C)OC(=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)C(CO)O[Si](C)(C)C	2745.8	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #34	C[Si](C)(C)OC(=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)C(CO)O[Si](C)(C)C	3224.6	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #35	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C(CO)O[Si](C)(C)C	2769.7	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #35	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C(CO)O[Si](C)(C)C	2791.6	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #35	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C(CO)O[Si](C)(C)C	3267.1	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #36	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C	2773.1	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #36	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C	2748.0	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #36	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C	3255.0	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #37	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)CO	2710.7	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #37	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)CO	2745.2	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #37	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)CO	3250.5	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #38	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO	2755.5	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #38	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO	2714.5	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #38	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO	3267.6	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2649.7	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2750.0	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3315.3	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2705.6	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2708.8	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3624.2	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2682.4	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2719.7	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3635.0	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #7	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2708.9	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #7	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2716.8	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #7	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3137.4	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #8	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2763.0	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #8	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2741.9	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #8	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	3433.6	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #9	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2746.3	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #9	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2735.2	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,6TMS,isomer #9	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	3438.6	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2689.2	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2795.6	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3064.9	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #10	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2745.7	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #10	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2771.2	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #10	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3138.4	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #11	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2720.8	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #11	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2794.7	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #11	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3129.7	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #12	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2740.1	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #12	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2788.0	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #12	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	3129.0	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #13	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2752.4	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #13	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	2772.6	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #13	C[Si](C)(C)OC(=O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	3151.8	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2732.8	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2768.6	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3334.0	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2712.3	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2781.1	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3326.5	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2718.1	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2758.6	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3295.3	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2707.3	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2771.5	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3303.3	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2769.3	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2784.4	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3136.8	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #7	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2766.3	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #7	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2777.4	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #7	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3139.4	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #8	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2743.9	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #8	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2788.1	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #8	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3153.2	Standard polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #9	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2747.1	Semi standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #9	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2831.5	Standard non polar	33892256
(2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid,7TMS,isomer #9	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3178.2	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-08fr-9231000000-f7bb23a4d0288bd7fc28	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

76099932

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for (2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid (HMDB0260134)

MOL for HMDB0260134 ((2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid)

3D MOL for HMDB0260134 ((2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid)

3D SDF for HMDB0260134 ((2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid)

3D-SDF for HMDB0260134 ((2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid)

PDB for HMDB0260134 ((2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid)

3D PDB for HMDB0260134 ((2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid)

SMILES for HMDB0260134 ((2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid)

INCHI for HMDB0260134 ((2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid)

Structure for HMDB0260134 ((2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid)

3D Structure for HMDB0260134 ((2S,4R,5S)-4,5,6-Trihydroxy-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-oxohexanoic acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

NMR Spectra