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Showing metabocard for Mannoheptulose (HMDB0254327)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 13:33:42 UTC
Update Date2022-11-23 22:29:16 UTC
HMDB IDHMDB0254327
Secondary Accession NumbersNone
Metabolite Identification
Common NameMannoheptulose
Description1,3,4,5,6,7-hexahydroxyheptan-2-one belongs to the class of organic compounds known as heptoses. These are monosaccharides in which the sugar unit is a seven-carbon containing moeity. 1,3,4,5,6,7-hexahydroxyheptan-2-one is an extremely weak basic (essentially neutral) compound (based on its pKa). This compound has been identified in human blood as reported by (PMID: 31557052 ). Mannoheptulose is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Mannoheptulose 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
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0254327 (Mannoheptulose)

Untitled A4 Document-1
  Mrv1652302102020392D          

 14 13  0  0  0  0            999 V2000
   -1.7862   -2.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    2.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2062    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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  6 13  1  0  0  0  0
  5 14  1  0  0  0  0
M  END
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3D MOL for HMDB0254327 (Mannoheptulose)

HMDB0254327
     RDKit          3D
MANNOHEPTULOSE
 28 27  0  0  0  0  0  0  0  0999 V2000
    0.9612    1.5332    1.0883 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7079    0.7556    0.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    0.7755    0.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9191   -0.1167    0.2274 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2731   -0.1372   -0.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3689   -0.8681   -1.0208 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2244   -1.1281   -0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7595   -1.9166    0.8544 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0407   -0.5224    0.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9102   -1.5592    0.6731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7361    0.3783   -0.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1197   -0.2487   -1.8003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0152    0.8676    0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7084    1.5095    1.2290 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2334    0.5214    2.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5466    1.7854    0.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7531    0.2766   -0.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9539    0.4743   -1.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050   -1.7334   -0.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -1.7826   -1.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2952   -1.7561    1.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8681    0.0555    1.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7362   -2.3622    0.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1519    1.2816   -0.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9660    0.0771   -2.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6350    1.4760   -0.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5863   -0.0625    0.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0607    2.4261    1.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  8 21  1  0
  9 22  1  0
 10 23  1  0
 11 24  1  0
 12 25  1  0
 13 26  1  0
 13 27  1  0
 14 28  1  0
M  END
Download

3D SDF for HMDB0254327 (Mannoheptulose)

Untitled A4 Document-1
  Mrv1652302102020392D          

 14 13  0  0  0  0            999 V2000
   -1.7862   -2.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    2.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2062    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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  6 13  1  0  0  0  0
  5 14  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0254327

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2

> <INCHI_KEY>
HSNZZMHEPUFJNZ-UHFFFAOYSA-N

> <FORMULA>
C7H14O7

> <MOLECULAR_WEIGHT>
210.1819

> <EXACT_MASS>
210.073952802

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
19.00904115480853

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3,4,5,6,7-hexahydroxyheptan-2-one

> <ALOGPS_LOGP>
-2.38

> <JCHEM_LOGP>
-3.8973668339999996

> <ALOGPS_LOGS>
0.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.265927956358581

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.913410871547823

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9742199929740236

> <JCHEM_POLAR_SURFACE_AREA>
138.45000000000002

> <JCHEM_REFRACTIVITY>
43.5243

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.27e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
D-manno-heptulose

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0254327 (Mannoheptulose)

HMDB0254327
     RDKit          3D
MANNOHEPTULOSE
 28 27  0  0  0  0  0  0  0  0999 V2000
    0.9612    1.5332    1.0883 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7079    0.7556    0.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    0.7755    0.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9191   -0.1167    0.2274 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2731   -0.1372   -0.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3689   -0.8681   -1.0208 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2244   -1.1281   -0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7595   -1.9166    0.8544 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0407   -0.5224    0.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9102   -1.5592    0.6731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7361    0.3783   -0.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1197   -0.2487   -1.8003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0152    0.8676    0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7084    1.5095    1.2290 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2334    0.5214    2.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5466    1.7854    0.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7531    0.2766   -0.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9539    0.4743   -1.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050   -1.7334   -0.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -1.7826   -1.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2952   -1.7561    1.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8681    0.0555    1.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7362   -2.3622    0.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1519    1.2816   -0.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9660    0.0771   -2.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6350    1.4760   -0.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5863   -0.0625    0.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0607    2.4261    1.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  8 21  1  0
  9 22  1  0
 10 23  1  0
 11 24  1  0
 12 25  1  0
 13 26  1  0
 13 27  1  0
 14 28  1  0
M  END
Download

PDB for HMDB0254327 (Mannoheptulose)

HEADER    PROTEIN                                 10-FEB-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Untitled A4 Document-1                            
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-FEB-20         0                                  
HETATM    1  O   UNK     0      -3.334  -4.235   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -3.334  -2.695   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.001  -1.925   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.001  -0.385   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.667   0.385   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.667   1.925   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.667   2.695   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.001   1.925   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       3.334   2.695   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       0.667   4.235   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -0.667  -2.695   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -3.334   0.385   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      -2.001   2.695   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       0.667  -0.385   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5   12                                                  
CONECT    5    4    6   14                                                  
CONECT    6    5    7   13                                                  
CONECT    7    6    8   10                                                  
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    7                                                            
CONECT   11    3                                                            
CONECT   12    4                                                            
CONECT   13    6                                                            
CONECT   14    5                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END
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3D PDB for HMDB0254327 (Mannoheptulose)

COMPND    HMDB0254327
HETATM    1  O1  UNL     1       0.961   1.533   1.088  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.708   0.756   0.491  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.121   0.776   0.930  1.00  0.00           C  
HETATM    4  O2  UNL     1       3.919  -0.117   0.227  1.00  0.00           O  
HETATM    5  C3  UNL     1       1.273  -0.137  -0.576  1.00  0.00           C  
HETATM    6  O3  UNL     1       2.369  -0.868  -1.021  1.00  0.00           O  
HETATM    7  C4  UNL     1       0.224  -1.128  -0.163  1.00  0.00           C  
HETATM    8  O4  UNL     1       0.760  -1.917   0.854  1.00  0.00           O  
HETATM    9  C5  UNL     1      -1.041  -0.522   0.338  1.00  0.00           C  
HETATM   10  O5  UNL     1      -1.910  -1.559   0.673  1.00  0.00           O  
HETATM   11  C6  UNL     1      -1.736   0.378  -0.630  1.00  0.00           C  
HETATM   12  O6  UNL     1      -2.120  -0.249  -1.800  1.00  0.00           O  
HETATM   13  C7  UNL     1      -3.015   0.868   0.044  1.00  0.00           C  
HETATM   14  O7  UNL     1      -2.708   1.510   1.229  1.00  0.00           O  
HETATM   15  H1  UNL     1       3.233   0.521   2.008  1.00  0.00           H  
HETATM   16  H2  UNL     1       3.547   1.785   0.750  1.00  0.00           H  
HETATM   17  H3  UNL     1       4.753   0.277  -0.068  1.00  0.00           H  
HETATM   18  H4  UNL     1       0.954   0.474  -1.456  1.00  0.00           H  
HETATM   19  H5  UNL     1       2.405  -1.733  -0.561  1.00  0.00           H  
HETATM   20  H6  UNL     1       0.012  -1.783  -1.014  1.00  0.00           H  
HETATM   21  H7  UNL     1       0.295  -1.756   1.726  1.00  0.00           H  
HETATM   22  H8  UNL     1      -0.868   0.055   1.271  1.00  0.00           H  
HETATM   23  H9  UNL     1      -1.736  -2.362   0.105  1.00  0.00           H  
HETATM   24  H10 UNL     1      -1.152   1.282  -0.890  1.00  0.00           H  
HETATM   25  H11 UNL     1      -2.966   0.077  -2.172  1.00  0.00           H  
HETATM   26  H12 UNL     1      -3.635   1.476  -0.638  1.00  0.00           H  
HETATM   27  H13 UNL     1      -3.586  -0.063   0.296  1.00  0.00           H  
HETATM   28  H14 UNL     1      -3.061   2.426   1.268  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    5
CONECT    3    4   15   16
CONECT    4   17
CONECT    5    6    7   18
CONECT    6   19
CONECT    7    8    9   20
CONECT    8   21
CONECT    9   10   11   22
CONECT   10   23
CONECT   11   12   13   24
CONECT   12   25
CONECT   13   14   26   27
CONECT   14   28
END
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SMILES for HMDB0254327 (Mannoheptulose)

OCC(O)C(O)C(O)C(O)C(=O)CO
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INCHI for HMDB0254327 (Mannoheptulose)

InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2
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Synonyms
ValueSource
altro-HeptuloseHMDB
D-altro-2-HeptuloseHMDB
D-altro-Hept-2-uloseHMDB
VolemuloseHMDB
Sedoheptulose, 1,3-di-(13)O-labeledMeSH, HMDB
Chemical FormulaC7H14O7
Average Molecular Weight210.1819
Monoisotopic Molecular Weight210.073952802
IUPAC Name1,3,4,5,6,7-hexahydroxyheptan-2-one
Traditional NameD-manno-heptulose
CAS Registry NumberNot Available
SMILES
OCC(O)C(O)C(O)C(O)C(=O)CO
InChI Identifier
InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2
InChI KeyHSNZZMHEPUFJNZ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as heptoses. These are monosaccharides in which the sugar unit is a seven-carbon containing moeity.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentHeptoses
Alternative Parents
Substituents
  • Heptose monosaccharide
  • Beta-hydroxy ketone
  • Acyloin
  • Alpha-hydroxy ketone
  • Secondary alcohol
  • Ketone
  • Polyol
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-2.4ALOGPS
logP-3.9ChemAxon
logS0.03ALOGPS
pKa (Strongest Acidic)8.91ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area138.45 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity43.52 m³·mol⁻¹ChemAxon
Polarizability19.01 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+140.35130932474
DeepCCS[M-H]-136.75430932474
DeepCCS[M-2H]-174.01130932474
DeepCCS[M+Na]+149.54930932474
AllCCS[M+H]+145.832859911
AllCCS[M+H-H2O]+142.232859911
AllCCS[M+NH4]+149.232859911
AllCCS[M+Na]+150.232859911
AllCCS[M-H]-138.132859911
AllCCS[M+Na-2H]-138.832859911
AllCCS[M+HCOO]-139.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
MANNOHEPTULOSEOCC(O)C(O)C(O)C(O)C(=O)CO3921.3Standard polar33892256
MANNOHEPTULOSEOCC(O)C(O)C(O)C(O)C(=O)CO1876.9Standard non polar33892256
MANNOHEPTULOSEOCC(O)C(O)C(O)C(O)C(=O)CO1906.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
MANNOHEPTULOSE,4TMS,isomer #28C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C(O)CO[Si](C)(C)C2210.0Semi standard non polar33892256
MANNOHEPTULOSE,4TMS,isomer #28C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C(O)CO[Si](C)(C)C2052.6Standard non polar33892256
MANNOHEPTULOSE,4TMS,isomer #28C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C(O)CO[Si](C)(C)C2568.5Standard polar33892256
MANNOHEPTULOSE,4TMS,isomer #30C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C(O)CO[Si](C)(C)C2192.2Semi standard non polar33892256
MANNOHEPTULOSE,4TMS,isomer #30C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C(O)CO[Si](C)(C)C2042.2Standard non polar33892256
MANNOHEPTULOSE,4TMS,isomer #30C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C(O)CO[Si](C)(C)C2534.2Standard polar33892256
MANNOHEPTULOSE,4TMS,isomer #51C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO2193.7Semi standard non polar33892256
MANNOHEPTULOSE,4TMS,isomer #51C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO2031.7Standard non polar33892256
MANNOHEPTULOSE,4TMS,isomer #51C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO2539.0Standard polar33892256
MANNOHEPTULOSE,5TMS,isomer #14C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C2152.3Semi standard non polar33892256
MANNOHEPTULOSE,5TMS,isomer #14C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C2106.3Standard non polar33892256
MANNOHEPTULOSE,5TMS,isomer #14C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C2429.6Standard polar33892256
MANNOHEPTULOSE,5TMS,isomer #16C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C2147.0Semi standard non polar33892256
MANNOHEPTULOSE,5TMS,isomer #16C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C2093.1Standard non polar33892256
MANNOHEPTULOSE,5TMS,isomer #16C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C2387.7Standard polar33892256
MANNOHEPTULOSE,5TMS,isomer #32C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C2139.4Semi standard non polar33892256
MANNOHEPTULOSE,5TMS,isomer #32C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C2078.6Standard non polar33892256
MANNOHEPTULOSE,5TMS,isomer #32C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C2356.5Standard polar33892256
MANNOHEPTULOSE,5TMS,isomer #9C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C2128.9Semi standard non polar33892256
MANNOHEPTULOSE,5TMS,isomer #9C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C2104.9Standard non polar33892256
MANNOHEPTULOSE,5TMS,isomer #9C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C2406.6Standard polar33892256
MANNOHEPTULOSE,7TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C2140.9Semi standard non polar33892256
MANNOHEPTULOSE,7TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C2211.2Standard non polar33892256
MANNOHEPTULOSE,7TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C2159.2Standard polar33892256
MANNOHEPTULOSE,7TMS,isomer #2C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C2132.8Semi standard non polar33892256
MANNOHEPTULOSE,7TMS,isomer #2C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C2224.3Standard non polar33892256
MANNOHEPTULOSE,7TMS,isomer #2C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C2194.9Standard polar33892256
MANNOHEPTULOSE,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)CO2716.6Semi standard non polar33892256
MANNOHEPTULOSE,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)CO2519.3Standard non polar33892256
MANNOHEPTULOSE,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)CO2806.1Standard polar33892256
MANNOHEPTULOSE,3TBDMS,isomer #43CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO2807.6Semi standard non polar33892256
MANNOHEPTULOSE,3TBDMS,isomer #43CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO2548.6Standard non polar33892256
MANNOHEPTULOSE,3TBDMS,isomer #43CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO2940.6Standard polar33892256
MANNOHEPTULOSE,3TBDMS,isomer #47CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO2767.5Semi standard non polar33892256
MANNOHEPTULOSE,3TBDMS,isomer #47CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO2564.4Standard non polar33892256
MANNOHEPTULOSE,3TBDMS,isomer #47CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO2905.6Standard polar33892256
MANNOHEPTULOSE,3TBDMS,isomer #48CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO2807.5Semi standard non polar33892256
MANNOHEPTULOSE,3TBDMS,isomer #48CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO2547.0Standard non polar33892256
MANNOHEPTULOSE,3TBDMS,isomer #48CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO2960.3Standard polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)CO2927.3Semi standard non polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)CO2713.5Standard non polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)CO2716.4Standard polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #41CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C2999.4Semi standard non polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #41CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C2714.6Standard non polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #41CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C2773.6Standard polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #42CC(C)(C)[Si](C)(C)OC(=CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C2988.8Semi standard non polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #42CC(C)(C)[Si](C)(C)OC(=CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C2790.9Standard non polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #42CC(C)(C)[Si](C)(C)OC(=CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C2818.8Standard polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #43CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C3018.0Semi standard non polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #43CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C2778.4Standard non polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #43CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C2830.1Standard polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #44CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C3036.2Semi standard non polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #44CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C2758.3Standard non polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #44CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C2882.3Standard polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #53CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO2979.6Semi standard non polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #53CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO2733.1Standard non polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #53CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO2837.5Standard polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #54CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO2947.7Semi standard non polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #54CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO2715.6Standard non polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #54CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO2818.1Standard polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #55CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO2954.8Semi standard non polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #55CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO2729.8Standard non polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #55CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO2859.0Standard polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)=C(CO)O[Si](C)(C)C(C)(C)C3020.2Semi standard non polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)=C(CO)O[Si](C)(C)C(C)(C)C2782.8Standard non polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)=C(CO)O[Si](C)(C)C(C)(C)C2818.7Standard polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=CO)O[Si](C)(C)C(C)(C)C3005.1Semi standard non polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=CO)O[Si](C)(C)C(C)(C)C2833.4Standard non polar33892256
MANNOHEPTULOSE,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=CO)O[Si](C)(C)C(C)(C)C2866.6Standard polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)CO3112.1Semi standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)CO2917.6Standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)CO2675.3Standard polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3194.5Semi standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2983.9Standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2807.9Standard polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3194.6Semi standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2977.3Standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2848.8Standard polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3163.4Semi standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2958.5Standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2822.9Standard polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C3195.5Semi standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C2972.0Standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C2832.3Standard polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C3185.3Semi standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C2959.7Standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C2804.9Standard polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO[Si](C)(C)C(C)(C)C3149.6Semi standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO[Si](C)(C)C(C)(C)C2954.9Standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO[Si](C)(C)C(C)(C)C2818.4Standard polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C3157.9Semi standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C2910.8Standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C2747.2Standard polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC(=CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C3141.1Semi standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC(=CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C2990.4Standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC(=CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C2771.5Standard polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)=C(CO)O[Si](C)(C)C(C)(C)C3189.2Semi standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)=C(CO)O[Si](C)(C)C(C)(C)C2970.9Standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)=C(CO)O[Si](C)(C)C(C)(C)C2781.9Standard polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C3188.2Semi standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C2959.0Standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C2826.9Standard polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C3176.9Semi standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C2945.1Standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C2798.1Standard polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #33CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C3172.7Semi standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #33CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C2931.8Standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #33CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C2770.7Standard polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C3171.1Semi standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C2949.5Standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C2812.2Standard polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #35CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO3125.6Semi standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #35CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO2920.3Standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #35CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO2773.7Standard polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #36CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO3120.1Semi standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #36CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO2939.0Standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #36CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO2803.2Standard polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=CO)O[Si](C)(C)C(C)(C)C3169.2Semi standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=CO)O[Si](C)(C)C(C)(C)C3026.8Standard non polar33892256
MANNOHEPTULOSE,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=CO)O[Si](C)(C)C(C)(C)C2805.5Standard polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C3341.7Semi standard non polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C3132.5Standard non polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C2813.8Standard polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C3327.2Semi standard non polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C3166.6Standard non polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C2831.2Standard polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C3329.7Semi standard non polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C3121.5Standard non polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C2806.6Standard polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C3313.5Semi standard non polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C3154.0Standard non polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C2823.9Standard polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CO)O[Si](C)(C)C(C)(C)C3323.1Semi standard non polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CO)O[Si](C)(C)C(C)(C)C3115.3Standard non polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CO)O[Si](C)(C)C(C)(C)C2793.5Standard polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=CO)O[Si](C)(C)C(C)(C)C3291.6Semi standard non polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=CO)O[Si](C)(C)C(C)(C)C3197.5Standard non polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=CO)O[Si](C)(C)C(C)(C)C2803.0Standard polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3340.3Semi standard non polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3180.5Standard non polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2852.6Standard polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3328.7Semi standard non polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3169.7Standard non polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2831.1Standard polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3345.1Semi standard non polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3136.8Standard non polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2818.2Standard polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3318.2Semi standard non polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3172.3Standard non polar33892256
MANNOHEPTULOSE,6TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2842.8Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (Non-derivatized) - 70eV, Positivesplash10-01oy-9500000000-654f69f6c931cc1ce8612017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (6 TMS) - 70eV, Positivesplash10-004i-4200179000-bcb63851bddf36891fb22017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannoheptulose GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Mannoheptulose Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-03di-0490000000-630d8c36c508e095915a2012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Mannoheptulose Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-004i-9100000000-bb285bc9b51a479a9bd42012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Mannoheptulose Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-07xr-9100000000-fe7ae48092a9feb86e6f2012-07-25HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannoheptulose 10V, Positive-QTOFsplash10-03di-4890000000-de864d6b52cf2915034d2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannoheptulose 20V, Positive-QTOFsplash10-03di-9300000000-9f02301f86e653ed66352015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannoheptulose 40V, Positive-QTOFsplash10-08fr-9100000000-3e8b16c4d5925087b5992015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannoheptulose 10V, Negative-QTOFsplash10-0ap4-9820000000-5c6ebc4e0e5aaadffdda2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannoheptulose 20V, Negative-QTOFsplash10-0cdu-9400000000-0dc5533e380eda3a379e2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannoheptulose 40V, Negative-QTOFsplash10-0a4l-9100000000-dacc8fdb74c2e64e2ced2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannoheptulose 10V, Positive-QTOFsplash10-03dl-5950000000-96687c5936eb794d75d82021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannoheptulose 20V, Positive-QTOFsplash10-00di-9200000000-b63a21b49021816482462021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannoheptulose 40V, Positive-QTOFsplash10-03di-9100000000-62e2c8e130293baddb252021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannoheptulose 10V, Negative-QTOFsplash10-0a4i-8970000000-54bf8befada913dc3d742021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannoheptulose 20V, Negative-QTOFsplash10-0a4i-9000000000-150c650d36d70f69b6f22021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannoheptulose 40V, Negative-QTOFsplash10-0a4i-9000000000-94eb6569e6a4d90f8fc12021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound102926
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDM03165
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. 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 ]