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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 01:15:59 UTC

Update Date

2022-03-07 02:56:19 UTC

HMDB ID

HMDB0039727

Secondary Accession Numbers

HMDB39727

Metabolite Identification

Common Name

Trehalulose

Description

Trehalulose belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Based on a literature review a significant number of articles have been published on Trehalulose.

Structure

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

HMDB0039727
     RDKit          3D
Trehalulose
 45 46  0  0  0  0  0  0  0  0999 V2000
   -5.2357   -2.3777   -0.5562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2361   -1.7571   -1.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2817   -0.9800   -0.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347   -0.4038   -1.2044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3753    0.3243   -0.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2514   -0.4135   -0.2113 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    0.1711   -0.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1321   -0.5728   -0.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0590   -1.8994   -0.9927 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1457    0.0419   -1.2205 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1139    0.4456   -0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4851    0.2856   -0.9476 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4831    0.6895   -0.0722 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9608   -0.4283    0.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4363    0.1975    2.0338 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4569   -0.6102    0.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9240    0.5247    1.5463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8969    0.9298    0.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1964    2.1227    1.0027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3398    1.2976    0.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4454    2.1878   -0.4611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1208    0.0251    0.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3155    0.3178   -0.2888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0462   -2.3884    0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6763   -2.4546   -1.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6891   -0.9855   -1.9834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8591   -1.7260    0.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0794    1.1662   -1.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9471    1.1998   -0.4844 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6682    0.0933   -1.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9576   -2.2331   -1.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9160    1.5125   -0.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5337    0.9471   -1.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6085   -0.7514   -1.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1673    1.4319    0.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4590   -1.3849    0.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5662   -0.4975    2.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1489   -1.5399    1.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0890    0.2627    2.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7106    0.2637    1.6139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7604    2.7838    1.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7266    1.7965    1.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2298    2.0514   -1.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3730   -0.3695    1.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9256    0.7037    0.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  8  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  5 28  1  0
  7 29  1  0
  7 30  1  0
  9 31  1  0
 11 32  1  0
 12 33  1  0
 12 34  1  0
 13 35  1  0
 14 36  1  0
 15 37  1  0
 16 38  1  0
 17 39  1  0
 18 40  1  0
 19 41  1  0
 20 42  1  0
 21 43  1  0
 22 44  1  0
 23 45  1  0
M  END


  Mrv0541 05061311212D          

 23 24  0  0  0  0            999 V2000
    4.8764    7.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3244    6.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    5.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3863    5.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9383    6.2021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0273    5.1475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2822    4.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7302    3.7498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9232    3.9213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3712    3.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8191    3.9213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4482    4.6329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412    4.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0892    4.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3441    3.4067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0891    1.4575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2686    1.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7837    2.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0386    2.8233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9191    3.0782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7037    2.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9587    2.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4737    1.3712    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
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 10 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039727

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-3-12(20)10(19)7(16)5(2-14)23-12/h4-11,13-20H,1-3H2

> <INCHI_KEY>
NMXLJRHBJVMYPD-UHFFFAOYSA-N

> <FORMULA>
C12H22O11

> <MOLECULAR_WEIGHT>
342.2965

> <EXACT_MASS>
342.116211546

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
31.811013116251416

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}oxane-3,4,5-triol

> <ALOGPS_LOGP>
-3.23

> <JCHEM_LOGP>
-4.528834963666666

> <ALOGPS_LOGS>
0.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.102334622924015

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.263739088523755

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810834350301185

> <JCHEM_POLAR_SURFACE_AREA>
189.52999999999997

> <JCHEM_REFRACTIVITY>
68.77409999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.96e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0039727
     RDKit          3D
Trehalulose
 45 46  0  0  0  0  0  0  0  0999 V2000
   -5.2357   -2.3777   -0.5562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2361   -1.7571   -1.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2817   -0.9800   -0.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347   -0.4038   -1.2044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3753    0.3243   -0.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2514   -0.4135   -0.2113 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    0.1711   -0.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1321   -0.5728   -0.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0590   -1.8994   -0.9927 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1457    0.0419   -1.2205 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1139    0.4456   -0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4851    0.2856   -0.9476 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4831    0.6895   -0.0722 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9608   -0.4283    0.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4363    0.1975    2.0338 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4569   -0.6102    0.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9240    0.5247    1.5463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8969    0.9298    0.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1964    2.1227    1.0027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3398    1.2976    0.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4454    2.1878   -0.4611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1208    0.0251    0.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3155    0.3178   -0.2888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0462   -2.3884    0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6763   -2.4546   -1.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6891   -0.9855   -1.9834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8591   -1.7260    0.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0794    1.1662   -1.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9471    1.1998   -0.4844 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6682    0.0933   -1.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9576   -2.2331   -1.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9160    1.5125   -0.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5337    0.9471   -1.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6085   -0.7514   -1.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1673    1.4319    0.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4590   -1.3849    0.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5662   -0.4975    2.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1489   -1.5399    1.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0890    0.2627    2.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7106    0.2637    1.6139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7604    2.7838    1.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7266    1.7965    1.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2298    2.0514   -1.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3730   -0.3695    1.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9256    0.7037    0.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  8  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  5 28  1  0
  7 29  1  0
  7 30  1  0
  9 31  1  0
 11 32  1  0
 12 33  1  0
 12 34  1  0
 13 35  1  0
 14 36  1  0
 15 37  1  0
 16 38  1  0
 17 39  1  0
 18 40  1  0
 19 41  1  0
 20 42  1  0
 21 43  1  0
 22 44  1  0
 23 45  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  O   UNK     0       9.103  13.362   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       8.072  12.218   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.548  10.753   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.054  10.433   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      11.085  11.577   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       7.518   9.609   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       7.993   8.144   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       6.963   7.000   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       5.457   7.320   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.426   6.175   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       3.396   7.320   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      12.037   8.648   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      10.530   8.968   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.500   7.824   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       9.976   6.359   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       7.633   2.721   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       6.101   2.560   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.196   3.806   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       5.672   5.270   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       1.716   5.746   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       3.180   5.270   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.656   3.806   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       2.751   2.560   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    6                                                  
CONECT    4    3    5   13                                                  
CONECT    5    4                                                            
CONECT    6    3    7                                                       
CONECT    7    6    8   14                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   19   21                                             
CONECT   11   10                                                            
CONECT   12   13                                                            
CONECT   13    4   12   14                                                  
CONECT   14    7   13   15                                                  
CONECT   15   14                                                            
CONECT   16   17                                                            
CONECT   17   16   18                                                       
CONECT   18   17   19   22                                                  
CONECT   19   10   18                                                       
CONECT   20   21                                                            
CONECT   21   10   20   22                                                  
CONECT   22   18   21   23                                                  
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

COMPND    HMDB0039727
HETATM    1  O1  UNL     1      -5.236  -2.378  -0.556  1.00  0.00           O  
HETATM    2  C1  UNL     1      -4.236  -1.757  -1.294  1.00  0.00           C  
HETATM    3  C2  UNL     1      -3.282  -0.980  -0.405  1.00  0.00           C  
HETATM    4  O2  UNL     1      -2.335  -0.404  -1.204  1.00  0.00           O  
HETATM    5  C3  UNL     1      -1.375   0.324  -0.526  1.00  0.00           C  
HETATM    6  O3  UNL     1      -0.251  -0.413  -0.211  1.00  0.00           O  
HETATM    7  C4  UNL     1       0.847   0.171  -0.831  1.00  0.00           C  
HETATM    8  C5  UNL     1       2.132  -0.573  -0.542  1.00  0.00           C  
HETATM    9  O4  UNL     1       2.059  -1.899  -0.993  1.00  0.00           O  
HETATM   10  O5  UNL     1       3.146   0.042  -1.220  1.00  0.00           O  
HETATM   11  C6  UNL     1       4.114   0.446  -0.341  1.00  0.00           C  
HETATM   12  C7  UNL     1       5.485   0.286  -0.948  1.00  0.00           C  
HETATM   13  O6  UNL     1       6.483   0.689  -0.072  1.00  0.00           O  
HETATM   14  C8  UNL     1       3.961  -0.428   0.905  1.00  0.00           C  
HETATM   15  O7  UNL     1       4.436   0.197   2.034  1.00  0.00           O  
HETATM   16  C9  UNL     1       2.457  -0.610   0.913  1.00  0.00           C  
HETATM   17  O8  UNL     1       1.924   0.525   1.546  1.00  0.00           O  
HETATM   18  C10 UNL     1      -1.897   0.930   0.755  1.00  0.00           C  
HETATM   19  O9  UNL     1      -1.196   2.123   1.003  1.00  0.00           O  
HETATM   20  C11 UNL     1      -3.340   1.298   0.577  1.00  0.00           C  
HETATM   21  O10 UNL     1      -3.445   2.188  -0.461  1.00  0.00           O  
HETATM   22  C12 UNL     1      -4.121   0.025   0.358  1.00  0.00           C  
HETATM   23  O11 UNL     1      -5.315   0.318  -0.289  1.00  0.00           O  
HETATM   24  H1  UNL     1      -5.046  -2.388   0.413  1.00  0.00           H  
HETATM   25  H2  UNL     1      -3.676  -2.455  -1.943  1.00  0.00           H  
HETATM   26  H3  UNL     1      -4.689  -0.986  -1.983  1.00  0.00           H  
HETATM   27  H4  UNL     1      -2.859  -1.726   0.317  1.00  0.00           H  
HETATM   28  H5  UNL     1      -1.079   1.166  -1.179  1.00  0.00           H  
HETATM   29  H6  UNL     1       0.947   1.200  -0.484  1.00  0.00           H  
HETATM   30  H7  UNL     1       0.668   0.093  -1.934  1.00  0.00           H  
HETATM   31  H8  UNL     1       2.958  -2.233  -1.262  1.00  0.00           H  
HETATM   32  H9  UNL     1       3.916   1.512  -0.083  1.00  0.00           H  
HETATM   33  H10 UNL     1       5.534   0.947  -1.826  1.00  0.00           H  
HETATM   34  H11 UNL     1       5.609  -0.751  -1.295  1.00  0.00           H  
HETATM   35  H12 UNL     1       6.167   1.432   0.501  1.00  0.00           H  
HETATM   36  H13 UNL     1       4.459  -1.385   0.671  1.00  0.00           H  
HETATM   37  H14 UNL     1       4.566  -0.498   2.733  1.00  0.00           H  
HETATM   38  H15 UNL     1       2.149  -1.540   1.421  1.00  0.00           H  
HETATM   39  H16 UNL     1       1.089   0.263   2.013  1.00  0.00           H  
HETATM   40  H17 UNL     1      -1.711   0.264   1.614  1.00  0.00           H  
HETATM   41  H18 UNL     1      -1.760   2.784   1.488  1.00  0.00           H  
HETATM   42  H19 UNL     1      -3.727   1.797   1.503  1.00  0.00           H  
HETATM   43  H20 UNL     1      -4.230   2.051  -1.046  1.00  0.00           H  
HETATM   44  H21 UNL     1      -4.373  -0.369   1.374  1.00  0.00           H  
HETATM   45  H22 UNL     1      -5.926   0.704   0.401  1.00  0.00           H  
CONECT    1    2   24
CONECT    2    3   25   26
CONECT    3    4   22   27
CONECT    4    5
CONECT    5    6   18   28
CONECT    6    7
CONECT    7    8   29   30
CONECT    8    9   10   16
CONECT    9   31
CONECT   10   11
CONECT   11   12   14   32
CONECT   12   13   33   34
CONECT   13   35
CONECT   14   15   16   36
CONECT   15   37
CONECT   16   17   38
CONECT   17   39
CONECT   18   19   20   40
CONECT   19   41
CONECT   20   21   22   42
CONECT   21   43
CONECT   22   23   44
CONECT   23   45
END

HMDB0039727
     RDKit          3D
Trehalulose
 45 46  0  0  0  0  0  0  0  0999 V2000
   -5.2357   -2.3777   -0.5562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2361   -1.7571   -1.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2817   -0.9800   -0.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347   -0.4038   -1.2044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3753    0.3243   -0.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2514   -0.4135   -0.2113 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    0.1711   -0.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1321   -0.5728   -0.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0590   -1.8994   -0.9927 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1457    0.0419   -1.2205 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1139    0.4456   -0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4851    0.2856   -0.9476 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4831    0.6895   -0.0722 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9608   -0.4283    0.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4363    0.1975    2.0338 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4569   -0.6102    0.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9240    0.5247    1.5463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8969    0.9298    0.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1964    2.1227    1.0027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3398    1.2976    0.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4454    2.1878   -0.4611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1208    0.0251    0.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3155    0.3178   -0.2888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0462   -2.3884    0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6763   -2.4546   -1.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6891   -0.9855   -1.9834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8591   -1.7260    0.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0794    1.1662   -1.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9471    1.1998   -0.4844 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6682    0.0933   -1.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9576   -2.2331   -1.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9160    1.5125   -0.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5337    0.9471   -1.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6085   -0.7514   -1.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1673    1.4319    0.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4590   -1.3849    0.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5662   -0.4975    2.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1489   -1.5399    1.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0890    0.2627    2.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7106    0.2637    1.6139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7604    2.7838    1.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7266    1.7965    1.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2298    2.0514   -1.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3730   -0.3695    1.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9256    0.7037    0.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  8  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  5 28  1  0
  7 29  1  0
  7 30  1  0
  9 31  1  0
 11 32  1  0
 12 33  1  0
 12 34  1  0
 13 35  1  0
 14 36  1  0
 15 37  1  0
 16 38  1  0
 17 39  1  0
 18 40  1  0
 19 41  1  0
 20 42  1  0
 21 43  1  0
 22 44  1  0
 23 45  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
1-O-alpha-D-Glucopyranosyl-D-fructose	HMDB

Chemical Formula

C₁₂H₂₂O₁₁

Average Molecular Weight

342.2965

Monoisotopic Molecular Weight

342.116211546

IUPAC Name

2-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}oxane-3,4,5-triol

Traditional Name

2-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}oxane-3,4,5-triol

CAS Registry Number

51411-23-5

SMILES

OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O)C(O)C1O

InChI Identifier

InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-3-12(20)10(19)7(16)5(2-14)23-12/h4-11,13-20H,1-3H2

InChI Key

NMXLJRHBJVMYPD-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

O-glycosyl compound
Disaccharide
C-glycosyl compound
Oxane
Tetrahydrofuran
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Food (HMDB: HMDB0039727)

Not Available

Nutrient (HMDB: HMDB0039727)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	90 - 95 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	1000000 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	696 g/L	ALOGPS
logP	-3.2	ALOGPS
logP	-4.5	ChemAxon
logS	0.31	ALOGPS
pKa (Strongest Acidic)	10.26	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	189.53 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	68.77 m³·mol⁻¹	ChemAxon
Polarizability	31.81 Å³	ChemAxon
Number of Rings	2	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
DarkChem	[M+H]+	176.422	31661259
DarkChem	[M-H]-	171.975	31661259
DeepCCS	[M+H]+	173.632	30932474
DeepCCS	[M-H]-	171.274	30932474
DeepCCS	[M-2H]-	204.338	30932474
DeepCCS	[M+Na]+	179.725	30932474
AllCCS	[M+H]+	177.8	32859911
AllCCS	[M+H-H2O]+	174.8	32859911
AllCCS	[M+NH4]+	180.5	32859911
AllCCS	[M+Na]+	181.2	32859911
AllCCS	[M-H]-	175.2	32859911
AllCCS	[M+Na-2H]-	174.8	32859911
AllCCS	[M+HCOO]-	174.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Trehalulose	OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O)C(O)C1O	3324.6	Standard polar	33892256
Trehalulose	OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O)C(O)C1O	3279.0	Standard non polar	33892256
Trehalulose	OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O)C(O)C1O	2895.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Trehalulose,1TMS,isomer #1	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O)C(O)C1O	3005.7	Semi standard non polar	33892256
Trehalulose,1TMS,isomer #2	C[Si](C)(C)OC1(COC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1O	3023.0	Semi standard non polar	33892256
Trehalulose,1TMS,isomer #3	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O)C(O)C(O)C1O	3005.7	Semi standard non polar	33892256
Trehalulose,1TMS,isomer #4	C[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O)C2O)C(O)C1O	2986.7	Semi standard non polar	33892256
Trehalulose,1TMS,isomer #5	C[Si](C)(C)OC1C(O)C(CO)OC(OCC2(O)OC(CO)C(O)C2O)C1O	2952.9	Semi standard non polar	33892256
Trehalulose,1TMS,isomer #6	C[Si](C)(C)OC1C(OCC2(O)OC(CO)C(O)C2O)OC(CO)C(O)C1O	2988.0	Semi standard non polar	33892256
Trehalulose,1TMS,isomer #7	C[Si](C)(C)OC1C(O)C(CO)OC1(O)COC1OC(CO)C(O)C(O)C1O	3016.1	Semi standard non polar	33892256
Trehalulose,1TMS,isomer #8	C[Si](C)(C)OC1C(CO)OC(O)(COC2OC(CO)C(O)C(O)C2O)C1O	3020.3	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #1	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O)C2O)(O[Si](C)(C)C)C(O)C1O	2987.5	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #10	C[Si](C)(C)OC1C(O)C(CO)OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O)C1O	2952.9	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #11	C[Si](C)(C)OC1C(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O)OC(CO)C(O)C1O	2980.4	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #12	C[Si](C)(C)OC1C(CO)OC(COC2OC(CO)C(O)C(O)C2O)(O[Si](C)(C)C)C1O	2992.3	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #13	C[Si](C)(C)OC1C(O)C(CO)OC1(COC1OC(CO)C(O)C(O)C1O)O[Si](C)(C)C	3007.8	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #14	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	2967.5	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #15	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	2972.3	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #16	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	2964.8	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #17	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	2937.8	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #18	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	2966.6	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #19	C[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C1O	2968.6	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	2951.5	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #20	C[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C1O	2968.9	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #21	C[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C1O	2935.4	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #22	C[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O)C2O)C(O)C1O[Si](C)(C)C	2936.1	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #23	C[Si](C)(C)OC1C(O)C(CO)OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O)C1O	2943.4	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #24	C[Si](C)(C)OC1C(O)C(CO)OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C)C1O	2942.4	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #25	C[Si](C)(C)OC1C(OCC2(O)OC(CO)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C	2948.4	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #26	C[Si](C)(C)OC1C(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	2960.9	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #27	C[Si](C)(C)OC1C(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	2963.1	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #28	C[Si](C)(C)OC1C(CO)OC(O)(COC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C	3001.1	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #3	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	2953.5	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #4	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	2928.1	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #5	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O	2949.1	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #6	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O	2961.4	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #7	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C	2938.1	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #8	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O	2989.6	Semi standard non polar	33892256
Trehalulose,2TMS,isomer #9	C[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O)C(O)C1O	2985.0	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	2894.6	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	2861.4	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #11	C[Si](C)(C)OCC1OC(O)(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	2886.3	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #12	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	2868.6	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #13	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	2873.9	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #14	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	2887.5	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #15	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C	2869.1	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #16	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	2879.7	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #17	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	2870.4	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #18	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	2854.8	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #19	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2886.1	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #2	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)(O[Si](C)(C)C)C(O)C1O	2909.3	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #20	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2869.7	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #21	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2895.7	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #22	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	2899.8	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #23	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	2905.7	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #24	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	2922.0	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #25	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	2888.4	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #26	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	2920.3	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #27	C[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C1O	2930.0	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #28	C[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C1O	2931.1	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #29	C[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C1O	2907.3	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #3	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)(O[Si](C)(C)C)C(O)C1O	2885.9	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #30	C[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O)C(O)C1O[Si](C)(C)C	2902.2	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #31	C[Si](C)(C)OC1C(O)C(CO)OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O)C1O	2906.6	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #32	C[Si](C)(C)OC1C(O)C(CO)OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C)C1O	2898.5	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #33	C[Si](C)(C)OC1C(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C	2911.6	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #34	C[Si](C)(C)OC1C(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	2925.6	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #35	C[Si](C)(C)OC1C(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	2928.1	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #36	C[Si](C)(C)OC1C(CO)OC(COC2OC(CO)C(O)C(O)C2O)(O[Si](C)(C)C)C1O[Si](C)(C)C	2939.8	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #37	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	2894.2	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #38	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	2895.0	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #39	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	2877.3	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #4	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)(O[Si](C)(C)C)C(O)C1O	2906.8	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #40	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	2893.5	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #41	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2905.6	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #42	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2880.4	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #43	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2903.0	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #44	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2890.9	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #45	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2897.5	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #46	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2886.5	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #47	C[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	2922.7	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #48	C[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	2900.3	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #49	C[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	2892.5	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #5	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O)C2O)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2914.0	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #50	C[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2900.9	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #51	C[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2894.8	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #52	C[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2901.0	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #53	C[Si](C)(C)OC1C(O)C(CO)OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	2899.1	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #54	C[Si](C)(C)OC1C(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C	2903.7	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #55	C[Si](C)(C)OC1C(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	2907.6	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #56	C[Si](C)(C)OC1C(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	2921.3	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #6	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O)C2O)(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2908.2	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	2854.2	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	2872.0	Semi standard non polar	33892256
Trehalulose,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	2889.7	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	2782.9	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #10	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)(O[Si](C)(C)C)C(O)C1O	2822.0	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #11	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2788.0	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #12	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2790.3	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #13	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2810.0	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #14	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2806.8	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #15	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O)C2O)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2793.7	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #16	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	2765.8	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #17	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	2779.0	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #18	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	2764.5	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #19	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	2782.2	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	2791.8	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #20	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2807.5	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #21	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2790.5	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #22	C[Si](C)(C)OCC1OC(O)(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	2810.3	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #23	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2808.7	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #24	C[Si](C)(C)OCC1OC(O)(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	2838.4	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #25	C[Si](C)(C)OCC1OC(O)(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	2810.7	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #26	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	2812.1	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #27	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	2809.6	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #28	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	2786.6	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #29	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2824.5	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #3	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	2816.2	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #30	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2801.2	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #31	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2792.6	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #32	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2814.8	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #33	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2787.6	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #34	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2764.4	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #35	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2785.8	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #36	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	2801.1	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #37	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	2824.5	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #38	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	2803.0	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #39	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	2828.7	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	2791.7	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #40	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2827.0	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #41	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2800.7	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #42	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2829.9	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #43	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2835.8	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #44	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2875.6	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #45	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2836.6	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #46	C[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	2837.1	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #47	C[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	2844.2	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #48	C[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	2831.1	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #49	C[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2847.2	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #5	C[Si](C)(C)OCC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)(O[Si](C)(C)C)C(O)C1O	2818.0	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #50	C[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2830.9	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #51	C[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2858.4	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #52	C[Si](C)(C)OC1C(O)C(CO)OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	2805.6	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #53	C[Si](C)(C)OC1C(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C	2836.9	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #54	C[Si](C)(C)OC1C(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	2836.6	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #55	C[Si](C)(C)OC1C(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	2828.3	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #56	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2823.6	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #57	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2800.4	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #58	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2828.0	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #59	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2813.3	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #6	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)(O[Si](C)(C)C)C(O)C1O	2818.4	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #60	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2849.9	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #61	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2814.9	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #62	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2837.1	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #63	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2873.2	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #64	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2834.6	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #65	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2885.6	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #66	C[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2841.1	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #67	C[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2824.0	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #68	C[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2828.0	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #69	C[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2849.5	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #7	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)(O[Si](C)(C)C)C(O)C1O	2830.7	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #70	C[Si](C)(C)OC1C(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	2829.5	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #8	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2815.8	Semi standard non polar	33892256
Trehalulose,4TMS,isomer #9	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2814.4	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #1	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	2727.7	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #10	C[Si](C)(C)OCC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)(O[Si](C)(C)C)C(O)C1O	2766.8	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #11	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)(O[Si](C)(C)C)C(O)C1O	2748.3	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #12	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2703.5	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #13	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2703.1	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #14	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2720.8	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #15	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2719.8	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #16	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2727.1	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #17	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2702.6	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #18	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2700.1	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #19	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2679.1	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #2	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	2731.0	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #20	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2721.5	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #21	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2713.8	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #22	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2667.3	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #23	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2727.7	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #24	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2720.4	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #25	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2755.9	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #26	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2722.2	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #27	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2738.0	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #28	C[Si](C)(C)OCC1OC(O)(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2781.5	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #29	C[Si](C)(C)OCC1OC(O)(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	2741.2	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #3	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	2694.7	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #30	C[Si](C)(C)OCC1OC(O)(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	2810.6	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #31	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2725.6	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #32	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2704.7	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #33	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2671.5	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #34	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2688.3	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #35	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2671.9	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #36	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2752.6	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #37	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2699.4	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #38	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2760.4	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #39	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2748.8	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #4	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	2741.8	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #40	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2804.7	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #41	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2753.2	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #42	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2747.2	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #43	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2811.4	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #44	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2753.1	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #45	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2850.5	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #46	C[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2736.1	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #47	C[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2713.3	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #48	C[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2756.4	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #49	C[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2759.8	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #5	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2741.5	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #50	C[Si](C)(C)OC1C(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	2715.1	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #51	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2725.6	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #52	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2789.1	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #53	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2729.7	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #54	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2804.9	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #55	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2835.8	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #56	C[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2735.3	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #6	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2694.8	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #7	C[Si](C)(C)OCC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2751.2	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #8	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2759.2	Semi standard non polar	33892256
Trehalulose,5TMS,isomer #9	C[Si](C)(C)OCC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)(O[Si](C)(C)C)C(O)C1O	2808.4	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #1	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2674.0	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #10	C[Si](C)(C)OCC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)(O[Si](C)(C)C)C(O)C1O	2774.7	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #11	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2657.2	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #12	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2656.3	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #13	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2647.8	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #14	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2659.2	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #15	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2638.6	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #16	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2666.6	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #17	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2706.7	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #18	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2661.0	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #19	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2719.3	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #2	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2654.6	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #20	C[Si](C)(C)OCC1OC(O)(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2750.5	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #21	C[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2624.5	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #22	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2695.8	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #23	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2744.7	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #24	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2695.6	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #25	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2767.5	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #26	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2777.0	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #27	C[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2657.1	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #28	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2744.1	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #3	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2690.3	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #4	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2694.8	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #5	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2725.8	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #6	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2693.9	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #7	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2702.2	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #8	C[Si](C)(C)OCC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2735.5	Semi standard non polar	33892256
Trehalulose,6TMS,isomer #9	C[Si](C)(C)OCC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2701.0	Semi standard non polar	33892256
Trehalulose,7TMS,isomer #1	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2700.2	Semi standard non polar	33892256
Trehalulose,7TMS,isomer #2	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2728.9	Semi standard non polar	33892256
Trehalulose,7TMS,isomer #3	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2697.9	Semi standard non polar	33892256
Trehalulose,7TMS,isomer #4	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2705.6	Semi standard non polar	33892256
Trehalulose,7TMS,isomer #5	C[Si](C)(C)OCC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2717.1	Semi standard non polar	33892256
Trehalulose,7TMS,isomer #6	C[Si](C)(C)OCC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2643.3	Semi standard non polar	33892256
Trehalulose,7TMS,isomer #7	C[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2680.4	Semi standard non polar	33892256
Trehalulose,7TMS,isomer #8	C[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2712.8	Semi standard non polar	33892256
Trehalulose,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O)C(O)C1O	3217.8	Semi standard non polar	33892256
Trehalulose,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1(COC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1O	3271.5	Semi standard non polar	33892256
Trehalulose,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O)C(O)C(O)C1O	3216.0	Semi standard non polar	33892256
Trehalulose,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O)C2O)C(O)C1O	3227.3	Semi standard non polar	33892256
Trehalulose,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OCC2(O)OC(CO)C(O)C2O)C1O	3203.6	Semi standard non polar	33892256
Trehalulose,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(OCC2(O)OC(CO)C(O)C2O)OC(CO)C(O)C1O	3224.7	Semi standard non polar	33892256
Trehalulose,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC1(O)COC1OC(CO)C(O)C(O)C1O	3249.1	Semi standard non polar	33892256
Trehalulose,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(CO)OC(O)(COC2OC(CO)C(O)C(O)C2O)C1O	3255.6	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O)C2O)(O[Si](C)(C)C(C)(C)C)C(O)C1O	3399.4	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O)C1O	3408.9	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O)OC(CO)C(O)C1O	3418.5	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(CO)OC(COC2OC(CO)C(O)C(O)C2O)(O[Si](C)(C)C(C)(C)C)C1O	3446.6	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC1(COC1OC(CO)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	3453.2	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	3374.1	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3379.3	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3360.6	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3355.6	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3371.8	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	3408.9	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	3338.3	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3413.8	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3365.1	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3364.8	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	3386.3	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	3387.2	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1C(OCC2(O)OC(CO)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3375.5	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1C(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C(O)C1O	3391.9	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1C(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3395.6	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1C(CO)OC(O)(COC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C(C)(C)C	3432.1	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O	3365.2	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	3349.2	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3346.7	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3378.8	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3356.0	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O	3395.4	Semi standard non polar	33892256
Trehalulose,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O)C(O)C1O	3431.9	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	3530.0	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3493.0	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O	3493.5	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	3484.9	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3475.4	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3520.8	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3494.4	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3497.0	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3513.4	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3488.8	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3490.4	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)(O[Si](C)(C)C(C)(C)C)C(O)C1O	3546.4	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3460.0	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3522.0	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	3533.9	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3540.0	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3524.2	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3543.0	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3549.6	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	3566.0	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3575.1	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3537.9	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)(O[Si](C)(C)C(C)(C)C)C(O)C1O	3538.2	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3544.2	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	3553.6	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	3559.3	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1C(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3560.2	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1C(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C(O)C1O	3538.2	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1C(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3547.0	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1C(CO)OC(COC2OC(CO)C(O)C(O)C2O)(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3576.0	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3513.8	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3489.6	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3508.4	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(O)C1O	3516.2	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3511.5	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3511.5	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3522.6	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3530.7	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3514.7	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3511.3	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3514.4	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3545.6	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3511.1	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3516.3	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O)C2O)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3553.1	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3527.8	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3530.5	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3516.2	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O	3534.6	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1C(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3531.3	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1C(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3545.1	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC1C(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3516.9	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O)C2O)(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3549.7	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	3475.0	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3502.2	Semi standard non polar	33892256
Trehalulose,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3467.7	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	3631.0	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(O)C1O	3663.8	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3660.1	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3658.1	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3622.0	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3616.3	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(COC2OC(CO)C(O)C(O)C2O)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3606.4	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3615.0	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3602.9	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3635.9	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3627.0	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3638.1	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3627.8	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3662.0	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3649.9	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3647.2	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3655.4	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO[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)C2O)C(O)C1O	3648.7	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3624.8	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3639.0	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3612.0	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3631.8	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3647.9	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3606.0	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3618.0	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3649.3	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3622.6	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3616.2	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3585.1	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3640.3	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3643.7	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3673.6	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3661.7	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3682.5	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3658.6	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3679.2	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3674.1	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3682.9	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3702.1	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3684.1	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3661.1	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3649.7	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3653.7	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3656.5	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)(O[Si](C)(C)C(C)(C)C)C(O)C1O	3669.8	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3659.1	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3662.9	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O	3662.5	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1C(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3667.5	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1C(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3671.9	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1C(OCC2(O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3633.3	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3637.2	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3658.5	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3654.9	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #59	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3655.3	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)(O[Si](C)(C)C(C)(C)C)C(O)C1O	3656.4	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #60	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3665.2	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3653.5	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O[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)C1O	3678.7	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3690.8	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #64	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3675.6	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OCC1OC(OCC2(O)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3693.8	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #66	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3637.3	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #67	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3643.5	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #68	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3639.5	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #69	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2(O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3664.0	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(O)C1O	3649.5	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #70	CC(C)(C)[Si](C)(C)OC1C(OCC2(O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3655.5	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3648.9	Semi standard non polar	33892256
Trehalulose,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3647.3	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Trehalulose GC-MS (Non-derivatized) - 70eV, Positive	splash10-0773-9565000000-063942a565a3286005b8	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Trehalulose GC-MS (4 TMS) - 70eV, Positive	splash10-014i-3391128000-d25f10f24964c7c21062	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Trehalulose GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Trehalulose GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trehalulose 10V, Positive-QTOF	splash10-01r6-1709000000-e49011c8be27a64a3bc4	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trehalulose 20V, Positive-QTOF	splash10-03e9-1902000000-efe19d03a6aa5a222abf	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trehalulose 40V, Positive-QTOF	splash10-01tc-7920000000-0fc8f8d03b570ac93e2a	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trehalulose 10V, Negative-QTOF	splash10-01xx-4915000000-ee7803d4a81805f8d018	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trehalulose 20V, Negative-QTOF	splash10-03fr-2901000000-88a21f5e5025c90f0e5c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trehalulose 40V, Negative-QTOF	splash10-006x-9600000000-6a9558df831014c730c0	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trehalulose 10V, Positive-QTOF	splash10-054o-0309000000-1fed507f75dba5933884	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trehalulose 20V, Positive-QTOF	splash10-001i-2911000000-3d07730535ce8ab62334	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trehalulose 40V, Positive-QTOF	splash10-052o-9120000000-82aff15e1baee94c092e	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trehalulose 10V, Negative-QTOF	splash10-006x-1298000000-3f6ecca44ddc8d08a37b	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trehalulose 20V, Negative-QTOF	splash10-0abc-5292000000-c16ea88e22a74e47a61d	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trehalulose 40V, Negative-QTOF	splash10-0596-9350000000-a010f7b51cbeb2ae51a4	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

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

FDB019366

KNApSAcK ID

Not Available

Chemspider ID

14479801

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Trehalulose

METLIN ID

Not Available

PubChem Compound

13771704

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1879811

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Trehalulose (HMDB0039727)

MOL for HMDB0039727 (Trehalulose)

3D MOL for HMDB0039727 (Trehalulose)

3D SDF for HMDB0039727 (Trehalulose)

3D-SDF for HMDB0039727 (Trehalulose)

PDB for HMDB0039727 (Trehalulose)

3D PDB for HMDB0039727 (Trehalulose)

SMILES for HMDB0039727 (Trehalulose)

INCHI for HMDB0039727 (Trehalulose)

Structure for HMDB0039727 (Trehalulose)

3D Structure for HMDB0039727 (Trehalulose)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra