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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2022-03-07 02:49:00 UTC

HMDB ID

HMDB0000258

Secondary Accession Numbers

HMDB00258
HMDB0125600

Metabolite Identification

Common Name

Sucrose

Description

Sucrose is a nonreducing disaccharide composed of glucose and fructose linked via their anomeric carbons. It is obtained commercially from sugarcane (Saccharum officinarum), sugar beet (Beta vulgaris), and other plants and used extensively as a food and a sweetener. Sucrose is derived by crushing and extracting sugarcane with water or by extracting sugar beet with water, evaporating, and purifying with lime, carbon, and various liquids. Sucrose is also obtainable from sorghum. Sucrose occurs in low percentages in honey and maple syrup. Sucrose is used as a sweetener in foods and soft drinks, in the manufacture of syrups, in invert sugar, confectionery, preserves and jams, demulcent, pharmaceutical products, and caramel. Sucrose is also a chemical intermediate for detergents, emulsifying agents, and other sucrose derivatives. Sucrose is widespread in the seeds, leaves, fruits, flowers, and roots of plants, where it functions as an energy store for metabolism and as a carbon source for biosynthesis. The annual world production of sucrose is in excess of 90 million tons mainly from the juice of sugar cane (20%) and sugar beet (17%). In addition to its use as a sweetener, sucrose is used in food products as a preservative, antioxidant, moisture control agent, stabilizer, and thickening agent. BioTransformer predicts that sucrose is a product of 6-O-sinapoyl sucrose metabolism via a hydrolysis-of-carboxylic-acid-ester-pattern1 reaction occurring in human gut microbiota and catalyzed by the liver carboxylesterase 1 (P23141) enzyme (PMID: 30612223 ).

Structure

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

HMDB0000258
     RDKit          3D
Sucrose
 45 46  0  0  0  0  0  0  0  0999 V2000
    3.2574   -0.1998    3.1299 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7790    0.9932    2.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1648    0.6078    1.2269 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6528    1.7508    0.5898 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8765    1.2333   -0.5054 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1090    0.2624    0.0465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400    0.3705    0.0126 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8312    1.5782    0.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4954    1.6241    1.9817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7755   -0.7565    0.6694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1149   -0.7995    0.3103 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6446   -2.2134    0.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9936   -3.1546   -0.2643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2047   -0.3406   -1.1057 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0573    0.7017   -1.3495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7573    0.0669   -1.3928 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1386   -1.1207   -1.7997 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8778    0.7027   -1.5015 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3242    0.3746   -2.7057 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125   -0.4155   -0.9155 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7783   -0.6480   -1.7832 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3115    0.0957    0.3860 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0733   -0.8550    1.0230 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0129   -0.2936    4.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6022    1.6992    2.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9846    1.4431    3.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4459   -0.2053    1.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3478    2.0693   -0.9937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9240    1.5832    0.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4720    2.5382    0.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0934    0.7744    2.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7665   -0.1628    0.9494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6307   -2.4199    1.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7278   -2.1781    0.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1004   -4.0306    0.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5027   -1.1932   -1.7681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9036    0.6669   -0.8737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6639    0.8942   -2.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -1.5983   -0.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6186    1.5525   -1.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9129   -0.2668   -3.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1596   -1.3553   -0.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0178    0.1465   -2.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9545    0.9593    0.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9225   -0.4812    1.4018 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
  7  6  1  6
  7  8  1  0
  8  9  1  0
  7 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  7  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  1
  5 28  1  6
  8 29  1  0
  8 30  1  0
  9 31  1  0
 11 32  1  1
 12 33  1  0
 12 34  1  0
 13 35  1  0
 14 36  1  6
 15 37  1  0
 16 38  1  6
 17 39  1  0
 18 40  1  6
 19 41  1  0
 20 42  1  1
 21 43  1  0
 22 44  1  6
 23 45  1  0
M  END

  Mrv1652311121923132D          

 23 24  0  0  1  0            999 V2000
    9.2507   -5.5636    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7658   -6.2311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0757   -5.5636    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5605   -6.2311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3307   -4.7790    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6632   -4.2941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1153   -4.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7284   -5.0761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9957   -4.7790    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5833   -4.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9957   -3.3501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2813   -5.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5668   -4.7790    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8524   -3.5415    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1379   -3.9540    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1379   -4.7790    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8524   -5.1916    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5668   -3.9540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8524   -6.0166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4234   -3.5415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8524   -2.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4234   -5.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1379   -2.3040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  6  9  1  0  0  0  0
  1  2  1  6  0  0  0
  3  1  1  0  0  0  0
  3  4  1  1  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  5  7  1  6  0  0  0
  8  7  1  0  0  0  0
  9 10  1  1  0  0  0
 10 11  1  0  0  0  0
  9 12  1  6  0  0  0
 13 12  1  6  0  0  0
 17 13  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  6  0  0  0
 15 20  1  6  0  0  0
 14 21  1  1  0  0  0
 16 22  1  1  0  0  0
 21 23  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000258

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1

> <INCHI_KEY>
CZMRCDWAGMRECN-UGDNZRGBSA-N

> <FORMULA>
C12H22O11

> <MOLECULAR_WEIGHT>
342.2965

> <EXACT_MASS>
342.116211546

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
31.039025820936857

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-2.63

> <JCHEM_LOGP>
-4.528834963666666

> <ALOGPS_LOGS>
0.38

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.393795156229878

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.841279964942517

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810849127905703

> <JCHEM_POLAR_SURFACE_AREA>
189.52999999999997

> <JCHEM_REFRACTIVITY>
68.7741

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.24e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sucrose

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000258
     RDKit          3D
Sucrose
 45 46  0  0  0  0  0  0  0  0999 V2000
    3.2574   -0.1998    3.1299 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7790    0.9932    2.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1648    0.6078    1.2269 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6528    1.7508    0.5898 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8765    1.2333   -0.5054 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1090    0.2624    0.0465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400    0.3705    0.0126 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8312    1.5782    0.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4954    1.6241    1.9817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7755   -0.7565    0.6694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1149   -0.7995    0.3103 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6446   -2.2134    0.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9936   -3.1546   -0.2643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2047   -0.3406   -1.1057 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0573    0.7017   -1.3495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7573    0.0669   -1.3928 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1386   -1.1207   -1.7997 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8778    0.7027   -1.5015 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3242    0.3746   -2.7057 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125   -0.4155   -0.9155 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7783   -0.6480   -1.7832 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3115    0.0957    0.3860 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0733   -0.8550    1.0230 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0129   -0.2936    4.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6022    1.6992    2.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9846    1.4431    3.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4459   -0.2053    1.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3478    2.0693   -0.9937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9240    1.5832    0.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4720    2.5382    0.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0934    0.7744    2.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7665   -0.1628    0.9494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6307   -2.4199    1.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7278   -2.1781    0.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1004   -4.0306    0.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5027   -1.1932   -1.7681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9036    0.6669   -0.8737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6639    0.8942   -2.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -1.5983   -0.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6186    1.5525   -1.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9129   -0.2668   -3.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1596   -1.3553   -0.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0178    0.1465   -2.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9545    0.9593    0.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9225   -0.4812    1.4018 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
  7  6  1  6
  7  8  1  0
  8  9  1  0
  7 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  7  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  1
  5 28  1  6
  8 29  1  0
  8 30  1  0
  9 31  1  0
 11 32  1  1
 12 33  1  0
 12 34  1  0
 13 35  1  0
 14 36  1  6
 15 37  1  0
 16 38  1  6
 17 39  1  0
 18 40  1  6
 19 41  1  0
 20 42  1  1
 21 43  1  0
 22 44  1  6
 23 45  1  0
M  END

HEADER    PROTEIN                                 12-NOV-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-NOV-19         0                                  
HETATM    1  C   UNK     0      17.268 -10.385   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      16.363 -11.631   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      18.808 -10.385   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      19.713 -11.631   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      19.284  -8.921   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      18.038  -8.016   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      20.749  -8.445   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      21.893  -9.475   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      16.792  -8.921   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      16.022  -7.587   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      16.792  -6.254   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      15.458  -9.691   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      14.125  -8.921   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.791  -6.611   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      11.457  -7.381   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      11.457  -8.921   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      12.791  -9.691   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      14.125  -7.381   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      12.791 -11.231   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      10.124  -6.611   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      12.791  -5.071   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      10.124  -9.691   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      11.457  -4.301   0.000  0.00  0.00           O+0
CONECT    1    9    2    3                                                  
CONECT    2    1                                                            
CONECT    3    1    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    9    5                                                       
CONECT    7    5    8                                                       
CONECT    8    7                                                            
CONECT    9    1    6   10   12                                             
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    9   13                                                       
CONECT   13   12   17   18                                                  
CONECT   14   15   18   21                                                  
CONECT   15   14   16   20                                                  
CONECT   16   15   17   22                                                  
CONECT   17   13   16   19                                                  
CONECT   18   13   14                                                       
CONECT   19   17                                                            
CONECT   20   15                                                            
CONECT   21   14   23                                                       
CONECT   22   16                                                            
CONECT   23   21                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

COMPND    HMDB0000258
HETATM    1  O1  UNL     1       3.257  -0.200   3.130  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.779   0.993   2.576  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.165   0.608   1.227  1.00  0.00           C  
HETATM    4  O2  UNL     1       1.653   1.751   0.590  1.00  0.00           O  
HETATM    5  C3  UNL     1       0.876   1.233  -0.505  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.109   0.262   0.047  1.00  0.00           O  
HETATM    7  C4  UNL     1      -1.240   0.371   0.013  1.00  0.00           C  
HETATM    8  C5  UNL     1      -1.831   1.578   0.628  1.00  0.00           C  
HETATM    9  O4  UNL     1      -1.495   1.624   1.982  1.00  0.00           O  
HETATM   10  O5  UNL     1      -1.776  -0.756   0.669  1.00  0.00           O  
HETATM   11  C6  UNL     1      -3.115  -0.799   0.310  1.00  0.00           C  
HETATM   12  C7  UNL     1      -3.645  -2.213   0.493  1.00  0.00           C  
HETATM   13  O6  UNL     1      -2.994  -3.155  -0.264  1.00  0.00           O  
HETATM   14  C8  UNL     1      -3.205  -0.341  -1.106  1.00  0.00           C  
HETATM   15  O7  UNL     1      -4.057   0.702  -1.350  1.00  0.00           O  
HETATM   16  C9  UNL     1      -1.757   0.067  -1.393  1.00  0.00           C  
HETATM   17  O8  UNL     1      -1.139  -1.121  -1.800  1.00  0.00           O  
HETATM   18  C10 UNL     1       1.878   0.703  -1.501  1.00  0.00           C  
HETATM   19  O9  UNL     1       1.324   0.375  -2.706  1.00  0.00           O  
HETATM   20  C11 UNL     1       2.713  -0.415  -0.916  1.00  0.00           C  
HETATM   21  O10 UNL     1       3.778  -0.648  -1.783  1.00  0.00           O  
HETATM   22  C12 UNL     1       3.311   0.096   0.386  1.00  0.00           C  
HETATM   23  O11 UNL     1       4.073  -0.855   1.023  1.00  0.00           O  
HETATM   24  H1  UNL     1       3.013  -0.294   4.082  1.00  0.00           H  
HETATM   25  H2  UNL     1       3.602   1.699   2.342  1.00  0.00           H  
HETATM   26  H3  UNL     1       1.985   1.443   3.198  1.00  0.00           H  
HETATM   27  H4  UNL     1       1.446  -0.205   1.330  1.00  0.00           H  
HETATM   28  H5  UNL     1       0.348   2.069  -0.994  1.00  0.00           H  
HETATM   29  H6  UNL     1      -2.924   1.583   0.473  1.00  0.00           H  
HETATM   30  H7  UNL     1      -1.472   2.538   0.206  1.00  0.00           H  
HETATM   31  H8  UNL     1      -1.093   0.774   2.278  1.00  0.00           H  
HETATM   32  H9  UNL     1      -3.767  -0.163   0.949  1.00  0.00           H  
HETATM   33  H10 UNL     1      -3.631  -2.420   1.582  1.00  0.00           H  
HETATM   34  H11 UNL     1      -4.728  -2.178   0.210  1.00  0.00           H  
HETATM   35  H12 UNL     1      -3.100  -4.031   0.192  1.00  0.00           H  
HETATM   36  H13 UNL     1      -3.503  -1.193  -1.768  1.00  0.00           H  
HETATM   37  H14 UNL     1      -4.904   0.667  -0.874  1.00  0.00           H  
HETATM   38  H15 UNL     1      -1.664   0.894  -2.088  1.00  0.00           H  
HETATM   39  H16 UNL     1      -0.858  -1.598  -0.984  1.00  0.00           H  
HETATM   40  H17 UNL     1       2.619   1.553  -1.665  1.00  0.00           H  
HETATM   41  H18 UNL     1       1.913  -0.267  -3.176  1.00  0.00           H  
HETATM   42  H19 UNL     1       2.160  -1.355  -0.792  1.00  0.00           H  
HETATM   43  H20 UNL     1       4.018   0.147  -2.311  1.00  0.00           H  
HETATM   44  H21 UNL     1       3.955   0.959   0.117  1.00  0.00           H  
HETATM   45  H22 UNL     1       4.922  -0.481   1.402  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   10   16
CONECT    8    9   29   30
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

HMDB0000258
     RDKit          3D
Sucrose
 45 46  0  0  0  0  0  0  0  0999 V2000
    3.2574   -0.1998    3.1299 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7790    0.9932    2.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1648    0.6078    1.2269 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6528    1.7508    0.5898 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8765    1.2333   -0.5054 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1090    0.2624    0.0465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400    0.3705    0.0126 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8312    1.5782    0.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4954    1.6241    1.9817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7755   -0.7565    0.6694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1149   -0.7995    0.3103 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6446   -2.2134    0.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9936   -3.1546   -0.2643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2047   -0.3406   -1.1057 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0573    0.7017   -1.3495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7573    0.0669   -1.3928 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1386   -1.1207   -1.7997 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8778    0.7027   -1.5015 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3242    0.3746   -2.7057 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125   -0.4155   -0.9155 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7783   -0.6480   -1.7832 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3115    0.0957    0.3860 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0733   -0.8550    1.0230 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0129   -0.2936    4.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6022    1.6992    2.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9846    1.4431    3.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4459   -0.2053    1.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3478    2.0693   -0.9937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9240    1.5832    0.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4720    2.5382    0.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0934    0.7744    2.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7665   -0.1628    0.9494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6307   -2.4199    1.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7278   -2.1781    0.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1004   -4.0306    0.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5027   -1.1932   -1.7681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9036    0.6669   -0.8737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6639    0.8942   -2.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -1.5983   -0.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6186    1.5525   -1.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9129   -0.2668   -3.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1596   -1.3553   -0.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0178    0.1465   -2.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9545    0.9593    0.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9225   -0.4812    1.4018 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
  7  6  1  6
  7  8  1  0
  8  9  1  0
  7 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  7  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  1
  5 28  1  6
  8 29  1  0
  8 30  1  0
  9 31  1  0
 11 32  1  1
 12 33  1  0
 12 34  1  0
 13 35  1  0
 14 36  1  6
 15 37  1  0
 16 38  1  6
 17 39  1  0
 18 40  1  6
 19 41  1  0
 20 42  1  1
 21 43  1  0
 22 44  1  6
 23 45  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside	ChEBI
beta-D-Fruf-(21)-alpha-D-GLCP	ChEBI
Cane sugar	ChEBI
Sacarosa	ChEBI
Saccharose	ChEBI
Sacharose	ChEBI
Table sugar	ChEBI
White sugar	ChEBI
White soft sugar	Kegg
Sugar, compressible	Kegg
Sugar, confectioner's	Kegg
Sugar spheres	Kegg
Sucrose, purified	Kegg
1-a-D-Glucopyranosyl-2-b-D-fructofuranoside	Generator
1-Α-D-glucopyranosyl-2-β-D-fructofuranoside	Generator
b-D-Fruf-(21)-a-D-GLCP	Generator
Β-D-fruf-(21)-α-D-GLCP	Generator
(+)-Sucrose	HMDB
b -D-Fructofuranosyl a-D-glucopyranoside	HMDB
D-(+)-Saccharose	HMDB
D-(+)-Sucrose	HMDB
D-Sucrose	HMDB
Saccharum	HMDB
Sugar	HMDB

Chemical Formula

C₁₂H₂₂O₁₁

Average Molecular Weight

342.2965

Monoisotopic Molecular Weight

342.116211546

IUPAC Name

(2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

sucrose

CAS Registry Number

57-50-1

SMILES

OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1

InChI Key

CZMRCDWAGMRECN-UGDNZRGBSA-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
Ketal
Oxane
Tetrahydrofuran
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

glycosyl glycoside (CHEBI:17992 )
Disaccharides (C00089 )

Ontology

Physiological effect

Health effect

Observation

Attachment loss (HMDB: HMDB0000258)

Intervention

Periodontal Probing Depth (HMDB: HMDB0000258)

Respiratory system disorder

Pulmonary disorder

Lung Cancer (HMDB: HMDB0000258)

Fibroblast (HMDB: HMDB0000258)

Nerve cell (HMDB: HMDB0000258)

Hematocyte

Platelet (HMDB: HMDB0000258)

Tissue substructure

Muscle (HMDB: HMDB0000258)

Cellular substructure

Extracellular (HMDB: HMDB0000258)
Myelin sheath (HMDB: HMDB0000258)

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0000258)
Saliva (HMDB: HMDB0000258)

Adipose tissue (HMDB: HMDB0000258)

Epithelium

Epidermis (HMDB: HMDB0000258)

Organ substructure

Mouth (HMDB: HMDB0000258)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0000258)

Source

Endogenous

Endogenous (HMDB: HMDB0000258)

Plant

Animal

Animal (HMDB: HMDB0000258)

Exogenous

Food

Food (HMDB: HMDB0000258)

Herb and spice mixture

Curry powder (FooDB: FOOD00678)

Vegetable

Cabbage

Onion-family vegetable

Root vegetable

Shoot vegetable

Leaf vegetable

Common beet (FooDB: FOOD00025)
Endive (FooDB: FOOD00048)
Rocket salad (ssp.) (FooDB: FOOD00077)
Swamp cabbage (FooDB: FOOD00091)
Lettuce (FooDB: FOOD00095)
Garden cress (FooDB: FOOD00099)
Spinach (FooDB: FOOD00178)
Swiss chard (FooDB: FOOD00237)
Chicory leaves (FooDB: FOOD00250)
Garland chrysanthemum (FooDB: FOOD00333)
Corn salad (FooDB: FOOD00340)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
Malabar spinach (FooDB: FOOD00404)
New Zealand spinach (FooDB: FOOD00415)
Yautia (FooDB: FOOD00510)
Ostrich fern (FooDB: FOOD00556)
Romaine lettuce (FooDB: FOOD00888)
Iceberg lettuce (FooDB: FOOD00973)
Pea shoots (FooDB: FOOD00975)
Yau choy (FooDB: FOOD00976)
Water spinach (FooDB: FOOD00977)

Fruit vegetable

Pepper (FooDB: FOOD00040)
Olive (FooDB: FOOD00121)
Avocado (FooDB: FOOD00130)
Garden tomato (FooDB: FOOD00171)
Cherry tomato (FooDB: FOOD00172)
Garden tomato (var.) (FooDB: FOOD00173)
Eggplant (FooDB: FOOD00174)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Groundcherry (FooDB: FOOD00371)
Pepper (C. frutescens) (FooDB: FOOD00428)
Mexican groundcherry (FooDB: FOOD00491)
Pepper (C. pubescens) (FooDB: FOOD00849)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Orange bell pepper (FooDB: FOOD00879)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Jalapeno pepper (FooDB: FOOD00955)
Cubanelle pepper (FooDB: FOOD00971)

Tuber

Stalk vegetable

Other vegetable

Giant butterbur (FooDB: FOOD00314)
Carob (FooDB: FOOD00321)
Chinese water chestnut (FooDB: FOOD00332)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Nopal (FooDB: FOOD00416)
Okra (FooDB: FOOD00420)
Sesbania flower (FooDB: FOOD00469)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Heart of palm (FooDB: FOOD00718)
Tree fern (FooDB: FOOD00797)

Mushroom

Castanospermum australe (FooDB: FOOD00893)
Gentiana lutea (FooDB: FOOD00894)
Juniperus communis (FooDB: FOOD00895)
Albizia gummifera (FooDB: FOOD00896)

Vegetable product

Other vegetable product (FooDB: FOOD00671)

Fruit

Tropical fruit

Citrus

Lime (FooDB: FOOD00053)
Lemon (FooDB: FOOD00054)
Pummelo (FooDB: FOOD00055)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Sweet orange (FooDB: FOOD00057)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Grapefruit (FooDB: FOOD00256)
Persian lime (FooDB: FOOD00543)
Sour orange (FooDB: FOOD00918)
Mikan (FooDB: FOOD00932)
Clementine (FooDB: FOOD00959)

Pome

Berry

Black crowberry (FooDB: FOOD00075)
Strawberry (FooDB: FOOD00083)
Black huckleberry (FooDB: FOOD00084)
Sea-buckthornberry (FooDB: FOOD00087)
Mulberry (FooDB: FOOD00116)
Black mulberry (FooDB: FOOD00117)
Black chokeberry (FooDB: FOOD00136)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Gooseberry (FooDB: FOOD00157)
Cloudberry (FooDB: FOOD00161)
Red raspberry (FooDB: FOOD00162)
Black raspberry (FooDB: FOOD00163)
Black elderberry (FooDB: FOOD00166)
Rowanberry (FooDB: FOOD00176)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
American cranberry (FooDB: FOOD00192)
Bilberry (FooDB: FOOD00193)
Lingonberry (FooDB: FOOD00194)
Muscadine grape (FooDB: FOOD00203)
Common grape (FooDB: FOOD00204)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Elderberry (FooDB: FOOD00358)
Grape (FooDB: FOOD00369)
Alaska blueberry (FooDB: FOOD00380)
Loganberry (FooDB: FOOD00400)
Ohelo berry (FooDB: FOOD00419)
Salmonberry (FooDB: FOOD00456)
Strawberry guava (FooDB: FOOD00482)
Boysenberry (FooDB: FOOD00542)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)
Rabbiteye blueberry (FooDB: FOOD00898)
Blackberry (FooDB: FOOD00906)
Partridge berry (FooDB: FOOD00931)
Green grape (FooDB: FOOD00964)
Red grape (FooDB: FOOD00965)
Black plum (FooDB: FOOD00966)
Black raisin (FooDB: FOOD00968)
Chinese plum (FooDB: FOOD00978)
Green plum (FooDB: FOOD00979)
Wampee (FooDB: FOOD00980)
Goji (FooDB: FOOD00982)
Monk fruit (FooDB: FOOD00983)
Hawthorn (FooDB: FOOD00985)
Lantern fruit (FooDB: FOOD00986)
Cape gooseberry (FooDB: FOOD00988)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)

Other fruit

Fig (FooDB: FOOD00081)
Date (FooDB: FOOD00135)
Jujube (FooDB: FOOD00388)

Drupe

Prunus (Cherry, Plum) (FooDB: FOOD00143)
Apricot (FooDB: FOOD00144)
Sweet cherry (FooDB: FOOD00145)
Sour cherry (FooDB: FOOD00146)
European plum (FooDB: FOOD00147)
Peach (FooDB: FOOD00149)
Nectarine (FooDB: FOOD00229)
Peach (var.) (FooDB: FOOD00230)
Common chokecherry (FooDB: FOOD00562)

Fruit product

Fruits (HMDB: HMDB0000258)

Nut

Cashew nut (FooDB: FOOD00011)
Peanut (FooDB: FOOD00016)
Brazil nut (FooDB: FOOD00024)
Pecan nut (FooDB: FOOD00044)
Chestnut (FooDB: FOOD00045)
Common hazelnut (FooDB: FOOD00062)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Almond (FooDB: FOOD00148)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hazelnut (FooDB: FOOD00376)
Hickory nut (FooDB: FOOD00377)
Japanese chestnut (FooDB: FOOD00385)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Macadamia nut (FooDB: FOOD00525)
Walnut (FooDB: FOOD00608)
Mixed nuts (FooDB: FOOD00771)

Cereal and cereal product

Cereal

Cereal product

Dough

Sourdough (FooDB: FOOD00275)

Leavened bread

Flat bread

Other bread

Potato bread (FooDB: FOOD00811)
Other bread (FooDB: FOOD00269)

Sweet bread

Raisin bread (FooDB: FOOD00817)

Bread products

Other bread product (FooDB: FOOD00805)

Pulse

Pea

Lentil

Lentils (FooDB: FOOD00098)

Other pulse

Lupine (FooDB: FOOD00104)
White lupine (FooDB: FOOD00403)

Bean

Green lentil (FooDB: FOOD00970)

Gourd

Watermelon (FooDB: FOOD00052)
Muskmelon (FooDB: FOOD00064)
Cucumber (FooDB: FOOD00065)
Cucurbita (FooDB: FOOD00066)
Bitter gourd (FooDB: FOOD00115)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Calabash (FooDB: FOOD00318)
Chayote (FooDB: FOOD00325)
Towel gourd (FooDB: FOOD00492)
Wax gourd (FooDB: FOOD00499)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Acorn squash (FooDB: FOOD00972)
Cantaloupe melon (FooDB: FOOD00984)

Coffee and coffee product

Coffee

Coffee product

Coffee mocha (FooDB: FOOD00743)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Tea

Herbal tea

Hibiscus tea (FooDB: FOOD00723)
Greenthread tea (FooDB: FOOD00820)

Dish

Other dish

Ground meat

Sausage (FooDB: FOOD00652)
Meatball (FooDB: FOOD00653)
Pate (FooDB: FOOD00655)
Meatloaf (FooDB: FOOD00737)
Cold cut (FooDB: FOOD00770)

Pasta dish

American cuisine

Potato dish

Potato puffs (FooDB: FOOD00846)

Tex-mex cuisine

Chili (FooDB: FOOD00707)
Burrito (FooDB: FOOD00704)
Taco (FooDB: FOOD00708)

Levantine cuisine

Hummus (FooDB: FOOD00845)

Sandwich

Berber cuisine

Couscous (FooDB: FOOD00740)

Mexican cuisine

Quesadilla (FooDB: FOOD00748)

Asian cuisine

Egg roll (FooDB: FOOD00717)
Rice cake (FooDB: FOOD00796)

Latin american cuisine

Tamale (FooDB: FOOD00795)
Empanada (FooDB: FOOD00830)
Pupusa (FooDB: FOOD00829)
Arepa (FooDB: FOOD00831)

Baking good

Wrapper

Sugar

Sugar (FooDB: FOOD00651)
Sugars (HMDB: HMDB0000258)

Dressing

Salad dressing (FooDB: FOOD00645)

Condiment

Substitute

Seasoning

Salt (FooDB: FOOD00647)
Vinegar (FooDB: FOOD00628)
Adobo (FooDB: FOOD00758)

Sauce

Sauce (FooDB: FOOD00646)

Aquatic origin

Fish

Anchovy (FooDB: FOOD00566)
Blue whiting (FooDB: FOOD00567)
Carp bream (FooDB: FOOD00568)
Clupeinae (Herring, Sardine, Sprat) (FooDB: FOOD00520)
Burbot (FooDB: FOOD00313)
Sturgeon (FooDB: FOOD00570)
Charr (FooDB: FOOD00571)
Gadus (Common cod) (FooDB: FOOD00515)
Common dab (FooDB: FOOD00574)
Spiny dogfish (FooDB: FOOD00575)
Anguilliformes (FooDB: FOOD00577)
Flatfish (FooDB: FOOD00535)
Garfish (FooDB: FOOD00579)
Haddock (FooDB: FOOD00374)
Gadiformes (FooDB: FOOD00580)
Atlantic halibut (FooDB: FOOD00516)
Greenland halibut/turbot (FooDB: FOOD00370)
Lake trout (FooDB: FOOD00582)
Lemon sole (FooDB: FOOD00583)
Common ling (FooDB: FOOD00397)
Lumpsucker (FooDB: FOOD00585)
Scombridae (Bonito, Mackerel, Tuna) (FooDB: FOOD00586)
Norway haddock (FooDB: FOOD00588)
Norway pout (FooDB: FOOD00590)
Perciformes (FooDB: FOOD00527)
Northern pike (FooDB: FOOD00431)
Pikeperch (FooDB: FOOD00595)
Pleuronectidae (Dab, Halibut, Plaice) (FooDB: FOOD00596)
Pollock (FooDB: FOOD00513)
Rainbow trout (FooDB: FOOD00444)
Pacific ocean perch (FooDB: FOOD00598)
Salmonidae (Salmon, Trout) (FooDB: FOOD00493)
True sole (FooDB: FOOD00604)
Catfish (FooDB: FOOD00605)
Thunnus (FooDB: FOOD00607)
Turbot (FooDB: FOOD00364)
Whitefish (FooDB: FOOD00503)
Whiting (FooDB: FOOD00504)
Atlantic wolffish (FooDB: FOOD00296)
European anchovy (FooDB: FOOD00362)
Percoidei (Bass and others) (FooDB: FOOD00526)
Common carp (FooDB: FOOD00322)
Channel catfish (FooDB: FOOD00324)
Cisco (FooDB: FOOD00334)
Atlantic cod (FooDB: FOOD00338)
Pacific cod (FooDB: FOOD00337)
Atlantic croaker (FooDB: FOOD00345)
Freshwater eel (FooDB: FOOD00357)
Hippoglossus (Common halibut) (FooDB: FOOD00375)
Atlantic herring (FooDB: FOOD00292)
Atlantic mackerel (FooDB: FOOD00293)
Pacific jack mackerel (FooDB: FOOD00383)
Spanish mackerel (FooDB: FOOD00460)
Striped mullet (FooDB: FOOD00412)
Painted comber (FooDB: FOOD00294)
Atlantic pollock (FooDB: FOOD00295)
Alaska pollock (FooDB: FOOD00497)
Florida pompano (FooDB: FOOD00366)
Pacific rockfish (FooDB: FOOD00426)
Orange roughy (FooDB: FOOD00448)
Chinook salmon (FooDB: FOOD00454)
Chum salmon (FooDB: FOOD00451)
Coho salmon (FooDB: FOOD00452)
Pink salmon (FooDB: FOOD00450)
Sockeye salmon (FooDB: FOOD00453)
Pacific sardine (FooDB: FOOD00461)
Scup (FooDB: FOOD00463)
American shad (FooDB: FOOD00470)
Shark (FooDB: FOOD00471)
Rainbow smelt (FooDB: FOOD00443)
Snapper (FooDB: FOOD00477)
Greater sturgeon (FooDB: FOOD00483)
Swordfish (FooDB: FOOD00487)
Northern bluefin tuna (FooDB: FOOD00305)
Albacore tuna (FooDB: FOOD00514)
Yellowfin tuna (FooDB: FOOD00511)
Cichlidae (Tilapia) (FooDB: FOOD00699)
Sheefish (FooDB: FOOD00472)
Smelt (FooDB: FOOD00519)

Crustacean

Fish product

Other fish product (FooDB: FOOD00665)

Amphibian

True frog (FooDB: FOOD00578)

Mollusk

Marine mussel (FooDB: FOOD00587)
Common octopus (FooDB: FOOD00339)
True oyster (FooDB: FOOD00592)
Snail (FooDB: FOOD00603)
Abalone (FooDB: FOOD00279)
Bivalvia (Clam, Mussel, Oyster) (FooDB: FOOD00531)
Blue mussel (FooDB: FOOD00304)
Eastern oyster (FooDB: FOOD00356)
Pacific oyster (FooDB: FOOD00425)
Scallop (FooDB: FOOD00462)
Squid (FooDB: FOOD00532)
Whelk (FooDB: FOOD00500)
Conch (FooDB: FOOD00611)

Pinniped

Seaweed

Cetacean

Cetacea (Dolphin, Porpoise, Whale) (FooDB: FOOD00609)
Beluga whale (FooDB: FOOD00300)

Roe

Roe (FooDB: FOOD00698)

Other aquatic food

Jellyfish (FooDB: FOOD00565)
Green turtle (FooDB: FOOD00702)

Beverage

Distilled beverage

Spirit (FooDB: FOOD00276)
Gin (FooDB: FOOD00625)
Liquor (FooDB: FOOD00616)
Rum (FooDB: FOOD00629)
Vodka (FooDB: FOOD00622)
Whisky (FooDB: FOOD00623)

Fermented beverage

Beer (FooDB: FOOD00268)
Grape wine (FooDB: FOOD00612)
Sake (FooDB: FOOD00738)

Other beverage

Fortified wines

Carbonated soft drinks (HMDB: HMDB0000258)

Water

Water (FooDB: FOOD00664)

Nutritional beverage

Nutritional drink (FooDB: FOOD00754)
Energy drink (FooDB: FOOD00703)

Alcoholic beverage

Cocktail (FooDB: FOOD00739)
Other alcoholic beverage (FooDB: FOOD00278)

Baby food

Baby food (FooDB: FOOD00668)

Animal origin

Swine

Domestic pig (FooDB: FOOD00536)

Bovine

Cattle (Beef, Veal) (FooDB: FOOD00495)

Poultry

Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Quail (FooDB: FOOD00541)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Turkey (FooDB: FOOD00494)

Lagomorph

Mountain hare (FooDB: FOOD00581)
Rabbit (FooDB: FOOD00528)

Venison

Deer (FooDB: FOOD00524)

Caprae

Domestic goat (FooDB: FOOD00529)

Unclassified food or beverage

Unclassified food or beverage (FooDB: FOOD00672)

Fat and oil

Vegetable fat

Margarine-like spread (FooDB: FOOD00844)
Margarine (FooDB: FOOD00843)
Shortening (FooDB: FOOD00783)

Animal fat

Fish oil (FooDB: FOOD00990)

Milk and milk product

Other milk product

Fermented milk product

Unfermented milk

Milk (Other mammals) (FooDB: FOOD00690)
Milk (Human) (FooDB: FOOD00666)
Milk (Cow) (FooDB: FOOD00618)
Cow milk, pasteurized, vitamin A + D added, 0% fat (FooDB: FOOD00889)
Cow milk, pasteurized, vitamin A + D added, 1% fat (FooDB: FOOD00890)
Cow milk, pasteurized, vitamin A + D added, 2% fat (FooDB: FOOD00891)
Cow milk, pasteurized, vitamin D added, 3.25% fat (FooDB: FOOD00892)

Honey (FooDB: FOOD00626)
Marzipan (FooDB: FOOD00644)
Nougat (FooDB: FOOD00634)
Toffee (FooDB: FOOD00635)
Meringue (FooDB: FOOD00680)
Icing (FooDB: FOOD00700)

Frozen dessert

Spread

Chocolate spread (FooDB: FOOD00676)
Dulce de leche (FooDB: FOOD00714)

Milk dessert

Sweet custard (FooDB: FOOD00716)

Cocoa and cocoa product

Cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Snack

Egg

Eggs (FooDB: FOOD00619)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Starch and Sucrose Metabolism (HMDB: HMDB0000258)

Role

Industrial application

Pharmaceutical industry

Pharmaceutical (HMDB: HMDB0000258)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	185.5 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	2100 mg/mL	Not Available
LogP	-3.70	HANSCH,C ET AL. (1995)

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	Astarita_neg	164.7	30932474
[M-H]-	Baker	168.467	30932474
[M-H]-	Not Available	168.3	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000410

Predicted Molecular Properties

Property	Value	Source
Water Solubility	824 g/L	ALOGPS
logP	-2.6	ALOGPS
logP	-4.5	ChemAxon
logS	0.38	ALOGPS
pKa (Strongest Acidic)	11.84	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	31.04 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]+	176.055	31661259
DarkChem	[M-H]-	166.158	31661259
AllCCS	[M+H]+	175.672	32859911
AllCCS	[M-H]-	174.574	32859911
DeepCCS	[M+H]+	173.709	30932474
DeepCCS	[M+H]+	180.802	30932474
DeepCCS	[M-H]-	171.586	30932474
DeepCCS	[M-H]-	178.39	30932474
DeepCCS	[M-2H]-	205.536	30932474
DeepCCS	[M+Na]+	179.712	30932474
DeepCCS	[M-2H]-	211.606	30932474
DeepCCS	[M+Na]+	187.16	30932474
AllCCS	[M+H]+	175.7	32859911
AllCCS	[M+H-H2O]+	172.9	32859911
AllCCS	[M+NH4]+	178.3	32859911
AllCCS	[M+Na]+	179.0	32859911
AllCCS	[M-H]-	174.6	32859911
AllCCS	[M+Na-2H]-	174.1	32859911
AllCCS	[M+HCOO]-	173.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Sucrose	OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	3683.4	Standard polar	33892256
Sucrose	OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	3154.0	Standard non polar	33892256
Sucrose	OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	2801.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Sucrose,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	2813.3	Semi standard non polar	33892256
Sucrose,1TMS,isomer #2	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	2849.1	Semi standard non polar	33892256
Sucrose,1TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2809.6	Semi standard non polar	33892256
Sucrose,1TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	2790.9	Semi standard non polar	33892256
Sucrose,1TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O	2802.1	Semi standard non polar	33892256
Sucrose,1TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	2812.7	Semi standard non polar	33892256
Sucrose,1TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	2866.6	Semi standard non polar	33892256
Sucrose,1TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H]1CO	2838.4	Semi standard non polar	33892256
Sucrose,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	2793.4	Semi standard non polar	33892256
Sucrose,2TMS,isomer #10	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	2783.2	Semi standard non polar	33892256
Sucrose,2TMS,isomer #11	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2788.3	Semi standard non polar	33892256
Sucrose,2TMS,isomer #12	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2802.4	Semi standard non polar	33892256
Sucrose,2TMS,isomer #13	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2819.9	Semi standard non polar	33892256
Sucrose,2TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2774.7	Semi standard non polar	33892256
Sucrose,2TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2802.1	Semi standard non polar	33892256
Sucrose,2TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2763.4	Semi standard non polar	33892256
Sucrose,2TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2768.9	Semi standard non polar	33892256
Sucrose,2TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2769.3	Semi standard non polar	33892256
Sucrose,2TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@@H]1CO	2771.2	Semi standard non polar	33892256
Sucrose,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2781.2	Semi standard non polar	33892256
Sucrose,2TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	2798.0	Semi standard non polar	33892256
Sucrose,2TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@@H]1CO	2744.5	Semi standard non polar	33892256
Sucrose,2TMS,isomer #22	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	2744.0	Semi standard non polar	33892256
Sucrose,2TMS,isomer #23	C[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H]1CO	2782.2	Semi standard non polar	33892256
Sucrose,2TMS,isomer #24	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@@H]1O	2804.4	Semi standard non polar	33892256
Sucrose,2TMS,isomer #25	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	2758.7	Semi standard non polar	33892256
Sucrose,2TMS,isomer #26	C[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	2783.0	Semi standard non polar	33892256
Sucrose,2TMS,isomer #27	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2811.8	Semi standard non polar	33892256
Sucrose,2TMS,isomer #28	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@]1(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	2798.5	Semi standard non polar	33892256
Sucrose,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	2751.5	Semi standard non polar	33892256
Sucrose,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	2761.7	Semi standard non polar	33892256
Sucrose,2TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2767.6	Semi standard non polar	33892256
Sucrose,2TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2802.9	Semi standard non polar	33892256
Sucrose,2TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2780.2	Semi standard non polar	33892256
Sucrose,2TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2793.8	Semi standard non polar	33892256
Sucrose,2TMS,isomer #9	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	2772.5	Semi standard non polar	33892256
Sucrose,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2718.6	Semi standard non polar	33892256
Sucrose,3TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	2700.4	Semi standard non polar	33892256
Sucrose,3TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	2690.1	Semi standard non polar	33892256
Sucrose,3TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	2691.5	Semi standard non polar	33892256
Sucrose,3TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2685.2	Semi standard non polar	33892256
Sucrose,3TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2725.2	Semi standard non polar	33892256
Sucrose,3TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2702.5	Semi standard non polar	33892256
Sucrose,3TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2696.3	Semi standard non polar	33892256
Sucrose,3TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2742.3	Semi standard non polar	33892256
Sucrose,3TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2720.2	Semi standard non polar	33892256
Sucrose,3TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2736.2	Semi standard non polar	33892256
Sucrose,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	2706.8	Semi standard non polar	33892256
Sucrose,3TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2716.3	Semi standard non polar	33892256
Sucrose,3TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2742.3	Semi standard non polar	33892256
Sucrose,3TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2727.8	Semi standard non polar	33892256
Sucrose,3TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2736.2	Semi standard non polar	33892256
Sucrose,3TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2706.4	Semi standard non polar	33892256
Sucrose,3TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2714.2	Semi standard non polar	33892256
Sucrose,3TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2709.5	Semi standard non polar	33892256
Sucrose,3TMS,isomer #27	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	2705.3	Semi standard non polar	33892256
Sucrose,3TMS,isomer #28	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2704.2	Semi standard non polar	33892256
Sucrose,3TMS,isomer #29	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2728.0	Semi standard non polar	33892256
Sucrose,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	2715.5	Semi standard non polar	33892256
Sucrose,3TMS,isomer #30	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2740.8	Semi standard non polar	33892256
Sucrose,3TMS,isomer #31	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2718.0	Semi standard non polar	33892256
Sucrose,3TMS,isomer #32	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2746.2	Semi standard non polar	33892256
Sucrose,3TMS,isomer #33	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2747.7	Semi standard non polar	33892256
Sucrose,3TMS,isomer #34	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2741.7	Semi standard non polar	33892256
Sucrose,3TMS,isomer #35	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2743.7	Semi standard non polar	33892256
Sucrose,3TMS,isomer #36	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2740.8	Semi standard non polar	33892256
Sucrose,3TMS,isomer #37	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2727.8	Semi standard non polar	33892256
Sucrose,3TMS,isomer #38	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2714.3	Semi standard non polar	33892256
Sucrose,3TMS,isomer #39	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2723.3	Semi standard non polar	33892256
Sucrose,3TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2715.5	Semi standard non polar	33892256
Sucrose,3TMS,isomer #40	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2714.6	Semi standard non polar	33892256
Sucrose,3TMS,isomer #41	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2724.5	Semi standard non polar	33892256
Sucrose,3TMS,isomer #42	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2732.1	Semi standard non polar	33892256
Sucrose,3TMS,isomer #43	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2727.9	Semi standard non polar	33892256
Sucrose,3TMS,isomer #44	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2696.8	Semi standard non polar	33892256
Sucrose,3TMS,isomer #45	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2699.6	Semi standard non polar	33892256
Sucrose,3TMS,isomer #46	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2704.1	Semi standard non polar	33892256
Sucrose,3TMS,isomer #47	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	2724.4	Semi standard non polar	33892256
Sucrose,3TMS,isomer #48	C[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H]1CO	2717.0	Semi standard non polar	33892256
Sucrose,3TMS,isomer #49	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H]1CO	2714.3	Semi standard non polar	33892256
Sucrose,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2740.8	Semi standard non polar	33892256
Sucrose,3TMS,isomer #50	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H]1CO	2724.6	Semi standard non polar	33892256
Sucrose,3TMS,isomer #51	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2726.4	Semi standard non polar	33892256
Sucrose,3TMS,isomer #52	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	2697.3	Semi standard non polar	33892256
Sucrose,3TMS,isomer #53	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O	2728.7	Semi standard non polar	33892256
Sucrose,3TMS,isomer #54	C[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	2730.2	Semi standard non polar	33892256
Sucrose,3TMS,isomer #55	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2739.5	Semi standard non polar	33892256
Sucrose,3TMS,isomer #56	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@]1(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2729.1	Semi standard non polar	33892256
Sucrose,3TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2728.7	Semi standard non polar	33892256
Sucrose,3TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2698.2	Semi standard non polar	33892256
Sucrose,3TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2727.3	Semi standard non polar	33892256
Sucrose,3TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2688.1	Semi standard non polar	33892256
Sucrose,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2635.6	Semi standard non polar	33892256
Sucrose,4TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2650.9	Semi standard non polar	33892256
Sucrose,4TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2676.3	Semi standard non polar	33892256
Sucrose,4TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2665.1	Semi standard non polar	33892256
Sucrose,4TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2648.8	Semi standard non polar	33892256
Sucrose,4TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2640.7	Semi standard non polar	33892256
Sucrose,4TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2662.6	Semi standard non polar	33892256
Sucrose,4TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2670.6	Semi standard non polar	33892256
Sucrose,4TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2636.7	Semi standard non polar	33892256
Sucrose,4TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2661.9	Semi standard non polar	33892256
Sucrose,4TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2637.0	Semi standard non polar	33892256
Sucrose,4TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2648.2	Semi standard non polar	33892256
Sucrose,4TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2654.5	Semi standard non polar	33892256
Sucrose,4TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2675.2	Semi standard non polar	33892256
Sucrose,4TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2656.8	Semi standard non polar	33892256
Sucrose,4TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2638.4	Semi standard non polar	33892256
Sucrose,4TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2642.8	Semi standard non polar	33892256
Sucrose,4TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	2651.6	Semi standard non polar	33892256
Sucrose,4TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2648.7	Semi standard non polar	33892256
Sucrose,4TMS,isomer #27	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2674.4	Semi standard non polar	33892256
Sucrose,4TMS,isomer #28	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2661.5	Semi standard non polar	33892256
Sucrose,4TMS,isomer #29	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2665.4	Semi standard non polar	33892256
Sucrose,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2635.9	Semi standard non polar	33892256
Sucrose,4TMS,isomer #30	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2650.5	Semi standard non polar	33892256
Sucrose,4TMS,isomer #31	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2673.6	Semi standard non polar	33892256
Sucrose,4TMS,isomer #32	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2673.8	Semi standard non polar	33892256
Sucrose,4TMS,isomer #33	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2659.7	Semi standard non polar	33892256
Sucrose,4TMS,isomer #34	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2696.8	Semi standard non polar	33892256
Sucrose,4TMS,isomer #35	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2676.7	Semi standard non polar	33892256
Sucrose,4TMS,isomer #36	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2669.2	Semi standard non polar	33892256
Sucrose,4TMS,isomer #37	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2656.1	Semi standard non polar	33892256
Sucrose,4TMS,isomer #38	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2677.6	Semi standard non polar	33892256
Sucrose,4TMS,isomer #39	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2660.7	Semi standard non polar	33892256
Sucrose,4TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	2654.3	Semi standard non polar	33892256
Sucrose,4TMS,isomer #40	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2656.3	Semi standard non polar	33892256
Sucrose,4TMS,isomer #41	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2676.2	Semi standard non polar	33892256
Sucrose,4TMS,isomer #42	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2664.3	Semi standard non polar	33892256
Sucrose,4TMS,isomer #43	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2642.8	Semi standard non polar	33892256
Sucrose,4TMS,isomer #44	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2646.5	Semi standard non polar	33892256
Sucrose,4TMS,isomer #45	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2656.5	Semi standard non polar	33892256
Sucrose,4TMS,isomer #46	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2657.8	Semi standard non polar	33892256
Sucrose,4TMS,isomer #47	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2673.0	Semi standard non polar	33892256
Sucrose,4TMS,isomer #48	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2679.4	Semi standard non polar	33892256
Sucrose,4TMS,isomer #49	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2666.5	Semi standard non polar	33892256
Sucrose,4TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	2644.0	Semi standard non polar	33892256
Sucrose,4TMS,isomer #50	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2667.7	Semi standard non polar	33892256
Sucrose,4TMS,isomer #51	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2672.5	Semi standard non polar	33892256
Sucrose,4TMS,isomer #52	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2675.0	Semi standard non polar	33892256
Sucrose,4TMS,isomer #53	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2678.1	Semi standard non polar	33892256
Sucrose,4TMS,isomer #54	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2690.3	Semi standard non polar	33892256
Sucrose,4TMS,isomer #55	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2669.8	Semi standard non polar	33892256
Sucrose,4TMS,isomer #56	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2670.0	Semi standard non polar	33892256
Sucrose,4TMS,isomer #57	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2682.6	Semi standard non polar	33892256
Sucrose,4TMS,isomer #58	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2673.5	Semi standard non polar	33892256
Sucrose,4TMS,isomer #59	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2664.0	Semi standard non polar	33892256
Sucrose,4TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	2653.6	Semi standard non polar	33892256
Sucrose,4TMS,isomer #60	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2659.4	Semi standard non polar	33892256
Sucrose,4TMS,isomer #61	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2666.7	Semi standard non polar	33892256
Sucrose,4TMS,isomer #62	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2665.6	Semi standard non polar	33892256
Sucrose,4TMS,isomer #63	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2661.5	Semi standard non polar	33892256
Sucrose,4TMS,isomer #64	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2673.9	Semi standard non polar	33892256
Sucrose,4TMS,isomer #65	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2649.7	Semi standard non polar	33892256
Sucrose,4TMS,isomer #66	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@@H]1CO	2674.0	Semi standard non polar	33892256
Sucrose,4TMS,isomer #67	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@]1(CO)O[C@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2684.5	Semi standard non polar	33892256
Sucrose,4TMS,isomer #68	C[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	2671.5	Semi standard non polar	33892256
Sucrose,4TMS,isomer #69	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2683.8	Semi standard non polar	33892256
Sucrose,4TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2642.4	Semi standard non polar	33892256
Sucrose,4TMS,isomer #70	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2688.0	Semi standard non polar	33892256
Sucrose,4TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2646.9	Semi standard non polar	33892256
Sucrose,4TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2633.5	Semi standard non polar	33892256
Sucrose,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2603.4	Semi standard non polar	33892256
Sucrose,5TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	2622.9	Semi standard non polar	33892256
Sucrose,5TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2615.6	Semi standard non polar	33892256
Sucrose,5TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2647.7	Semi standard non polar	33892256
Sucrose,5TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2626.4	Semi standard non polar	33892256
Sucrose,5TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2633.6	Semi standard non polar	33892256
Sucrose,5TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2611.8	Semi standard non polar	33892256
Sucrose,5TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2616.3	Semi standard non polar	33892256
Sucrose,5TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2638.4	Semi standard non polar	33892256
Sucrose,5TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2617.6	Semi standard non polar	33892256
Sucrose,5TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2635.2	Semi standard non polar	33892256
Sucrose,5TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2595.7	Semi standard non polar	33892256
Sucrose,5TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2612.7	Semi standard non polar	33892256
Sucrose,5TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2625.3	Semi standard non polar	33892256
Sucrose,5TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2646.1	Semi standard non polar	33892256
Sucrose,5TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2629.9	Semi standard non polar	33892256
Sucrose,5TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2622.9	Semi standard non polar	33892256
Sucrose,5TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2615.2	Semi standard non polar	33892256
Sucrose,5TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2628.6	Semi standard non polar	33892256
Sucrose,5TMS,isomer #27	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2636.2	Semi standard non polar	33892256
Sucrose,5TMS,isomer #28	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2629.2	Semi standard non polar	33892256
Sucrose,5TMS,isomer #29	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2646.9	Semi standard non polar	33892256
Sucrose,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2629.1	Semi standard non polar	33892256
Sucrose,5TMS,isomer #30	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2613.8	Semi standard non polar	33892256
Sucrose,5TMS,isomer #31	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2648.2	Semi standard non polar	33892256
Sucrose,5TMS,isomer #32	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2635.4	Semi standard non polar	33892256
Sucrose,5TMS,isomer #33	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2654.7	Semi standard non polar	33892256
Sucrose,5TMS,isomer #34	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2639.6	Semi standard non polar	33892256
Sucrose,5TMS,isomer #35	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2646.6	Semi standard non polar	33892256
Sucrose,5TMS,isomer #36	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2622.3	Semi standard non polar	33892256
Sucrose,5TMS,isomer #37	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2645.5	Semi standard non polar	33892256
Sucrose,5TMS,isomer #38	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2627.8	Semi standard non polar	33892256
Sucrose,5TMS,isomer #39	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2629.2	Semi standard non polar	33892256
Sucrose,5TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2596.9	Semi standard non polar	33892256
Sucrose,5TMS,isomer #40	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2626.5	Semi standard non polar	33892256
Sucrose,5TMS,isomer #41	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2635.7	Semi standard non polar	33892256
Sucrose,5TMS,isomer #42	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2644.3	Semi standard non polar	33892256
Sucrose,5TMS,isomer #43	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2638.5	Semi standard non polar	33892256
Sucrose,5TMS,isomer #44	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2652.9	Semi standard non polar	33892256
Sucrose,5TMS,isomer #45	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2611.0	Semi standard non polar	33892256
Sucrose,5TMS,isomer #46	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2633.6	Semi standard non polar	33892256
Sucrose,5TMS,isomer #47	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2655.2	Semi standard non polar	33892256
Sucrose,5TMS,isomer #48	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2649.8	Semi standard non polar	33892256
Sucrose,5TMS,isomer #49	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2636.6	Semi standard non polar	33892256
Sucrose,5TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2615.1	Semi standard non polar	33892256
Sucrose,5TMS,isomer #50	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2641.9	Semi standard non polar	33892256
Sucrose,5TMS,isomer #51	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2644.6	Semi standard non polar	33892256
Sucrose,5TMS,isomer #52	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2635.6	Semi standard non polar	33892256
Sucrose,5TMS,isomer #53	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2652.2	Semi standard non polar	33892256
Sucrose,5TMS,isomer #54	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2632.0	Semi standard non polar	33892256
Sucrose,5TMS,isomer #55	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2650.4	Semi standard non polar	33892256
Sucrose,5TMS,isomer #56	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2654.8	Semi standard non polar	33892256
Sucrose,5TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2650.6	Semi standard non polar	33892256
Sucrose,5TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2617.6	Semi standard non polar	33892256
Sucrose,5TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2613.6	Semi standard non polar	33892256
Sucrose,5TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2606.1	Semi standard non polar	33892256
Sucrose,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2578.9	Semi standard non polar	33892256
Sucrose,6TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2596.1	Semi standard non polar	33892256
Sucrose,6TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2634.2	Semi standard non polar	33892256
Sucrose,6TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2614.4	Semi standard non polar	33892256
Sucrose,6TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2613.1	Semi standard non polar	33892256
Sucrose,6TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2598.9	Semi standard non polar	33892256
Sucrose,6TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2601.5	Semi standard non polar	33892256
Sucrose,6TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2606.3	Semi standard non polar	33892256
Sucrose,6TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2605.4	Semi standard non polar	33892256
Sucrose,6TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2622.2	Semi standard non polar	33892256
Sucrose,6TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2615.6	Semi standard non polar	33892256
Sucrose,6TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2595.7	Semi standard non polar	33892256
Sucrose,6TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2624.2	Semi standard non polar	33892256
Sucrose,6TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2626.3	Semi standard non polar	33892256
Sucrose,6TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2605.9	Semi standard non polar	33892256
Sucrose,6TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2608.6	Semi standard non polar	33892256
Sucrose,6TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2617.7	Semi standard non polar	33892256
Sucrose,6TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2611.5	Semi standard non polar	33892256
Sucrose,6TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2629.2	Semi standard non polar	33892256
Sucrose,6TMS,isomer #27	C[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2626.2	Semi standard non polar	33892256
Sucrose,6TMS,isomer #28	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2622.2	Semi standard non polar	33892256
Sucrose,6TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2583.6	Semi standard non polar	33892256
Sucrose,6TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2596.3	Semi standard non polar	33892256
Sucrose,6TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2588.7	Semi standard non polar	33892256
Sucrose,6TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2607.3	Semi standard non polar	33892256
Sucrose,6TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2615.9	Semi standard non polar	33892256
Sucrose,6TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2606.7	Semi standard non polar	33892256
Sucrose,6TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2627.4	Semi standard non polar	33892256
Sucrose,7TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2616.1	Semi standard non polar	33892256
Sucrose,7TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2615.7	Semi standard non polar	33892256
Sucrose,7TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2630.4	Semi standard non polar	33892256
Sucrose,7TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2632.5	Semi standard non polar	33892256
Sucrose,7TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2640.5	Semi standard non polar	33892256
Sucrose,7TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2626.2	Semi standard non polar	33892256
Sucrose,7TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2634.2	Semi standard non polar	33892256
Sucrose,7TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2633.5	Semi standard non polar	33892256
Sucrose,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	3026.9	Semi standard non polar	33892256
Sucrose,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	3038.0	Semi standard non polar	33892256
Sucrose,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3019.0	Semi standard non polar	33892256
Sucrose,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	3018.9	Semi standard non polar	33892256
Sucrose,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O	3019.3	Semi standard non polar	33892256
Sucrose,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O	3037.5	Semi standard non polar	33892256
Sucrose,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3058.7	Semi standard non polar	33892256
Sucrose,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H]1CO	3047.6	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	3207.7	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	3218.5	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3231.5	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3240.9	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3232.0	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3208.7	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3206.6	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3210.8	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3202.7	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3206.6	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@@H]1CO	3229.2	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3191.6	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3231.5	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@@H]1CO	3206.0	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3209.5	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@@H]1CO	3231.5	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	3229.4	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	3224.7	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3241.3	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3243.7	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@]1(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3236.2	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	3206.6	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	3207.5	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3216.9	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3224.2	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3222.3	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3200.3	Semi standard non polar	33892256
Sucrose,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	3218.6	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3368.4	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	3375.7	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	3368.8	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	3379.4	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3380.2	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3403.0	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3399.0	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3394.0	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3411.2	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3409.8	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3418.2	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	3381.2	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3410.3	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3411.8	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3392.5	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3384.4	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3388.5	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3381.7	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3376.4	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	3388.6	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3389.4	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3418.8	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	3390.3	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3408.4	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3405.4	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3427.9	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3418.7	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3432.3	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3420.2	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3419.1	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3394.1	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3405.4	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3401.1	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3395.5	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3394.1	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3405.1	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3398.2	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3392.3	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3380.7	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3374.9	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3374.4	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3422.3	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@@H]1CO	3407.4	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)O[C@@H]1CO	3410.7	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3397.4	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3409.2	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3404.9	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	3390.3	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	3427.2	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3421.2	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3420.7	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@]1(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3432.9	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3397.8	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3376.3	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3381.6	Semi standard non polar	33892256
Sucrose,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3380.6	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3544.9	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3553.1	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3570.6	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3566.0	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3570.7	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3560.3	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3578.9	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3555.4	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3550.3	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3558.8	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3540.3	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3552.5	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3561.1	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3562.1	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3545.6	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3531.4	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3525.6	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	3529.6	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3536.7	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3553.2	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3551.0	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3553.2	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3547.8	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3549.3	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3567.0	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3566.2	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3561.5	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3577.4	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3579.8	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3557.0	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3561.5	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3566.6	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3551.1	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	3548.1	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3560.1	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3563.3	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3548.1	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3532.2	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3525.8	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3530.1	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3536.7	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3560.9	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3557.2	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3559.7	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	3535.9	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3555.5	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3570.7	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3572.5	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3566.5	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3582.2	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3582.0	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3559.2	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3561.8	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3546.8	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #59	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3550.3	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H](O)[C@@H]1O	3543.4	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #60	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3543.7	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3549.3	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3548.7	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3541.0	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #64	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3544.4	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3523.0	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #66	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3557.4	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #67	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@]1(CO)O[C@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3555.2	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #68	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3555.3	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #69	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3552.5	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3542.7	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #70	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3569.8	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3557.6	Semi standard non polar	33892256
Sucrose,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3549.6	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Sucrose GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-0gba-0930000000-594ae5d59d217235e6c7	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Sucrose GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-02ta-0932000000-8fa2c23f886fb0c63312	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Sucrose GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-00di-9731000000-0d702b863a0419bd559c	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Sucrose GC-EI-TOF (Non-derivatized)	splash10-0gba-0930000000-594ae5d59d217235e6c7	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Sucrose GC-EI-TOF (Non-derivatized)	splash10-02ta-0932000000-8fa2c23f886fb0c63312	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Sucrose GC-EI-TOF (Non-derivatized)	splash10-00di-9731000000-0d702b863a0419bd559c	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Sucrose GC-EI-TOF (Non-derivatized)	splash10-0i01-0932000000-a84ab9868385a177391a	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sucrose GC-MS (Non-derivatized) - 70eV, Positive	splash10-0nt9-9576000000-4af9cf7cb58154231f7b	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sucrose GC-MS (4 TMS) - 70eV, Positive	splash10-014i-8750249000-757f1c653f998599ba0b	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sucrose GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sucrose GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sucrose GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sucrose GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sucrose GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sucrose GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sucrose GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sucrose GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sucrose GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sucrose GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sucrose GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sucrose GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sucrose GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sucrose GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sucrose GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sucrose GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-05dm-9100000000-ff1c60103a4253a94cf7	2015-03-01	Not Available	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sucrose Quattro_QQQ 10V, Positive-QTOF (Annotated)	splash10-03di-0900000000-1ba130720abffe5e93d0	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sucrose Quattro_QQQ 25V, Positive-QTOF (Annotated)	splash10-002r-9600000000-bf4df12e3ec24b4de57b	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sucrose Quattro_QQQ 40V, Positive-QTOF (Annotated)	splash10-000i-9100000000-5308faa0508d0796ef2c	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sucrose LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative-QTOF	splash10-0fdx-9804000000-018a029ba3843a8db2bd	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sucrose LC-ESI-QTOF , negative-QTOF	splash10-0fdx-9804000000-018a029ba3843a8db2bd	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sucrose 20V, Negative-QTOF	splash10-000i-9500000000-292e67f588f0d531ef65	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sucrose 10V, Negative-QTOF	splash10-0006-2709000000-0e3c703e04384a1e3293	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sucrose 40V, Negative-QTOF	splash10-0a4i-9000000000-ef17557045affea2bd08	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sucrose 40V, Positive-QTOF	splash10-000i-9000000000-20fcddbd8c975ed3b6de	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sucrose 35V, Negative-QTOF	splash10-0040-0591000000-7087bb9a939bd10f818a	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sucrose 20V, Positive-QTOF	splash10-000j-8900000000-9332c87e291ba54d3cbd	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sucrose 10V, Positive-QTOF	splash10-03di-0900000000-7744e4ab4fd78c24407f	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sucrose 35V, Positive-QTOF	splash10-0b9o-9404000000-1d981db61b2f46503e23	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sucrose 10V, Positive-QTOF	splash10-01ot-3920000000-4cba5c16114c58b38f7a	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sucrose 40V, Positive-QTOF	splash10-0v5a-7890000000-69957548042f63c9dd84	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sucrose 20V, Positive-QTOF	splash10-000i-4390000000-0d6a0896805d60fa3f2c	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sucrose 20V, Negative-QTOF	splash10-052r-9300000000-a1b937218ce647359fdf	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sucrose 10V, Negative-QTOF	splash10-000f-6907000000-2f97793cff75b6ba35a1	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sucrose 30V, Negative-QTOF	splash10-0a4i-9100000000-eb237dfae067794baf48	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Sucrose 10V, Positive-QTOF	splash10-01q9-0900000000-61fdb02b67338e94c2a3	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Sucrose 20V, Positive-QTOF	splash10-03di-0900000000-3b225ec11ada7061156b	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Sucrose 40V, Positive-QTOF	splash10-03dl-9700000000-18b83ffd2452e8f7420d	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Sucrose 10V, Negative-QTOF	splash10-03fr-1901000000-b27bed8dffbc1fa29601	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Sucrose 20V, Negative-QTOF	splash10-03fs-0900000000-85fe4d893cc72a297745	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Sucrose 40V, Negative-QTOF	splash10-0005-8900000000-7ee1d127314574cf8eec	2016-09-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Experimental 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, experimental)	2021-10-10	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular

Biospecimen Locations

Blood
Feces
Saliva
Sweat
Urine

Tissue Locations

Adipose Tissue
Bladder
Epidermis
Fibroblasts
Intestine
Kidney
Neuron
Placenta
Platelet
Prostate
Skeletal Muscle
Spleen
Testis

Pathways

Name	SMPDB/PathBank	KEGG
Starch and Sucrose Metabolism
Galactose Metabolism
Glycogen synthetase deficiency		Not Available
Glycogenosis, Type III. Cori disease, Debrancher glycogenosis		Not Available
Glycogenosis, Type IV. Amylopectinosis, Anderson disease		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details
Blood	Detected and Quantified	1.8 +/- 1.2 uM	Adult (>18 years old)	Male	Normal	Geigy Scientific ...	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	29808030	details
Feces	Detected but not Quantified	Not Quantified	Infant (0-1 year old)	Both	Normal	28701177	details
Feces	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	22944170	details
Feces	Detected but not Quantified	Not Quantified	Children (6 - 18 years old)	Not Specified	Normal	27609529	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	25037050	details
Saliva	Detected and Quantified	1-113 uM	Adult (>18 years old)	Male	Normal	19259987	details
Saliva	Detected and Quantified	52 (<1-309496) uM	Adult (>18 years old)	Male	Normal	19259987	details
Saliva	Detected and Quantified	24 (<1-145076) uM	Adult (>18 years old)	Male	Normal	19259987	details
Saliva	Detected and Quantified	1-6189 uM	Adult (>18 years old)	Female	Normal	19259987	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Not Specified	Normal	12097436	details
Saliva	Detected and Quantified	1-26998 uM	Adult (>18 years old)	Male	normal	19259987	details
Saliva	Detected and Quantified	1-228 uM	Adult (>18 years old)	Male	normal	19259987	details
Sweat	Detected and Quantified	< 10 uM	Adult (60 years old)	Male	Normal	22194922	details
Sweat	Detected and Quantified	< 10 uM	Adult (40 years old)	Male	Normal	22194922	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22932811	details
Urine	Detected and Quantified	7.12 +/- 3.23 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	15894688	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	21389975	details
Urine	Detected and Quantified	4.6055 (0-9.211) umol/mmol creatinine	Adult (>18 years old)	Both	Normal	2026685	details
Urine	Detected and Quantified	18.79 +/- 29.28 umol/mmol creatinine	Infant (0-1 year old)	Both	Normal	2026685	details
Urine	Detected and Quantified	26.261 +/- 21.585 umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	Analysis of 30 no...	details
Urine	Detected and Quantified	7.4 (1.4-19.5) umol/mmol creatinine	Adult (>18 years old)	Both	Normal	24023812	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	24023812	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Newborn (0-30 days old)	Both	Sepsis	28701177	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal Cancer	27275383	details
Feces	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Cryptosporidium infection	22944170	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	25037050	details
Feces	Detected but not Quantified	Not Quantified	Children (6 - 18 years old)	Not Specified	Crohns disease	27609529	details
Feces	Detected but not Quantified	Not Quantified	Children (6 - 18 years old)	Not Specified	Ulcerative colitis	27609529	details
Feces	Detected but not Quantified	Not Quantified	Children (6 - 18 years old)	Not Specified	Unclassified IBD	27609529	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Attachment loss	31026179	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Periodontal Probing Depth	31026179	details
Urine	Detected and Quantified	11 (0-159) umol/mmol creatinine	Not Specified	Both	Lung cancer	22157537	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Bladder cancer	28157703	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Autosomal dominant polycystic kidney disease (ADPKD)	21389975	details
Urine	Detected and Quantified	19.126 +/- 34.203 umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	Analysis of 30 no...	details

Associated Disorders and Diseases

Disease References

Colorectal cancer
Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ] Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
Crohn's disease
Kolho KL, Pessia A, Jaakkola T, de Vos WM, Velagapudi V: Faecal and Serum Metabolomics in Paediatric Inflammatory Bowel Disease. J Crohns Colitis. 2017 Mar 1;11(3):321-334. doi: 10.1093/ecco-jcc/jjw158. [PubMed:27609529 ]
Ulcerative colitis
Kolho KL, Pessia A, Jaakkola T, de Vos WM, Velagapudi V: Faecal and Serum Metabolomics in Paediatric Inflammatory Bowel Disease. J Crohns Colitis. 2017 Mar 1;11(3):321-334. doi: 10.1093/ecco-jcc/jjw158. [PubMed:27609529 ]
Sepsis
Stewart CJ, Embleton ND, Marrs ECL, Smith DP, Fofanova T, Nelson A, Skeath T, Perry JD, Petrosino JF, Berrington JE, Cummings SP: Longitudinal development of the gut microbiome and metabolome in preterm neonates with late onset sepsis and healthy controls. Microbiome. 2017 Jul 12;5(1):75. doi: 10.1186/s40168-017-0295-1. [PubMed:28701177 ]
Attachment loss
Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26. [PubMed:31026179 ]
Periodontal Probing Depth
Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26. [PubMed:31026179 ]
Lung Cancer
Stretch C, Eastman T, Mandal R, Eisner R, Wishart DS, Mourtzakis M, Prado CM, Damaraju S, Ball RO, Greiner R, Baracos VE: Prediction of skeletal muscle and fat mass in patients with advanced cancer using a metabolomic approach. J Nutr. 2012 Jan;142(1):14-21. doi: 10.3945/jn.111.147751. Epub 2011 Dec 7. [PubMed:22157537 ]
Autosomal dominant polycystic kidney disease
Gronwald W, Klein MS, Zeltner R, Schulze BD, Reinhold SW, Deutschmann M, Immervoll AK, Boger CA, Banas B, Eckardt KU, Oefner PJ: Detection of autosomal dominant polycystic kidney disease by NMR spectroscopic fingerprinting of urine. Kidney Int. 2011 Jun;79(11):1244-53. doi: 10.1038/ki.2011.30. Epub 2011 Mar 9. [PubMed:21389975 ]
Eosinophilic esophagitis
Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work). NA.

Associated OMIM IDs

114500 (Colorectal cancer)
266600 (Crohn's disease)
211980 (Lung Cancer)
601313 (Autosomal dominant polycystic kidney disease)
610247 (Eosinophilic esophagitis)

External Links

DrugBank ID

DB02772

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB003715

KNApSAcK ID

C00001151

Chemspider ID

Not Available

KEGG Compound ID

C00089

BioCyc ID

SUCROSE

BiGG ID

Not Available

Wikipedia Link

Sucrose

METLIN ID

Not Available

PubChem Compound

5988

PDB ID

Not Available

ChEBI ID

17992

Food Biomarker Ontology

Not Available

VMH ID

SUCR

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Fitremann, Juliette; Queneau, Yves; Maitre, Jean-Paul; Bouchu, Alain. Co-melting of solid sucrose and multivalent cation soaps for solvent-free synthesis of sucrose esters. Tetrahedron Letters (2007), 48(23), 4111-4114.

Material Safety Data Sheet (MSDS)

Not Available

General References

Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
Shoemaker JD, Elliott WH: Automated screening of urine samples for carbohydrates, organic and amino acids after treatment with urease. J Chromatogr. 1991 Jan 2;562(1-2):125-38. [PubMed:2026685 ]
Chambers ST, Kunin CM: Isolation of glycine betaine and proline betaine from human urine. Assessment of their role as osmoprotective agents for bacteria and the kidney. J Clin Invest. 1987 Mar;79(3):731-7. [PubMed:3546377 ]
Ayala-Bravo HA, Quintanar-Guerrero D, Naik A, Kalia YN, Cornejo-Bravo JM, Ganem-Quintanar A: Effects of sucrose oleate and sucrose laureate on in vivo human stratum corneum permeability. Pharm Res. 2003 Aug;20(8):1267-73. [PubMed:12948025 ]
Rogers AJ, Greenwald MH, Deguzman MA, Kelley ME, Simon HK: A randomized, controlled trial of sucrose analgesia in infants younger than 90 days of age who require bladder catheterization in the pediatric emergency department. Acad Emerg Med. 2006 Jun;13(6):617-22. Epub 2006 Apr 24. [PubMed:16636358 ]
Nakano S, Kato T, Nakamura S, Kameyama M: Acetylcholinesterase activity in cerebrospinal fluid of patients with Alzheimer's disease and senile dementia. J Neurol Sci. 1986 Sep;75(2):213-23. [PubMed:3760912 ]
Ponec M, Wauben-Penris PJ, Burger A, Kempenaar J, Bodde HE: Nitroglycerin and sucrose permeability as quality markers for reconstructed human epidermis. Skin Pharmacol. 1990;3(2):126-35. [PubMed:2127677 ]
Rodrigues Silva C, Dutra de Oliveira JE, de Souza RA, Silva HC: Effect of a rice bran fiber diet on serum glucose levels of diabetic patients in Brazil. Arch Latinoam Nutr. 2005 Mar;55(1):23-7. [PubMed:16187674 ]
Nakamura J, Koh N, Sakakibara F, Hamada Y, Wakao T, Sasaki H, Mori K, Nakashima E, Naruse K, Hotta N: Diabetic neuropathy in sucrose-fed Otsuka Long-Evans Tokushima fatty rats: effect of an aldose reductase inhibitor, TAT. Life Sci. 1997;60(21):1847-57. [PubMed:9154994 ]
Calderilla-Fajardo SB, Cazares-Delgadillo J, Villalobos-Garcia R, Quintanar-Guerrero D, Ganem-Quintanar A, Robles R: Influence of sucrose esters on the in vivo percutaneous penetration of octyl methoxycinnamate formulated in nanocapsules, nanoemulsion, and emulsion. Drug Dev Ind Pharm. 2006 Jan;32(1):107-13. [PubMed:16455609 ]
Poschalko A, Rohr T, Gruber H, Bianco A, Guichard G, Briand JP, Weber V, Falkenhagen D: SUBPOL: a novel SUcrose-Based Polymer support for solid-phase peptide synthesis and affinity chromatography applications. J Am Chem Soc. 2003 Nov 5;125(44):13415-26. [PubMed:14583037 ]
Hamer I, Jadot M: Endolysosomal transport of newly-synthesized cathepsin D in a sucrose model of lysosomal storage. Exp Cell Res. 2005 Oct 1;309(2):284-95. [PubMed:16055118 ]
Wilson M, Patel H, Kpendema H, Noar JH, Hunt NP, Mordan NJ: Corrosion of the intra-oral magnets by multi-species biofilms in the presence and absence of sucrose. Biomaterials. 1997 Jan;18(1):53-7. [PubMed:9003897 ]
Giofre MR, Meduri G, Pallio S, Calandra S, Magnano A, Niceforo D, Cinquegrani M, di Leo V, Mazzon E, Sturniolo GC, Longo G, Fries W: Gastric permeability to sucrose is increased in portal hypertensive gastropathy. Eur J Gastroenterol Hepatol. 2000 May;12(5):529-33. [PubMed:10833096 ]
Chanarat P, Chiewsilp P: A simple method for the elimination of platelets from the lymphocyte-platelet mixture by sucrose. Am J Clin Pathol. 1975 Feb;63(2):237-9. [PubMed:803775 ]
Skogsdal Y, Eriksson M, Schollin J: Analgesia in newborns given oral glucose. Acta Paediatr. 1997 Feb;86(2):217-20. [PubMed:9055897 ]
Cohen J, Malter H, Wright G, Kort H, Massey J, Mitchell D: Partial zona dissection of human oocytes when failure of zona pellucida penetration is anticipated. Hum Reprod. 1989 May;4(4):435-42. [PubMed:2745674 ]
Djoumbou-Feunang Y, Fiamoncini J, Gil-de-la-Fuente A, Greiner R, Manach C, Wishart DS: BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification. J Cheminform. 2019 Jan 5;11(1):2. doi: 10.1186/s13321-018-0324-5. [PubMed:30612223 ]

Enzymes

Enzyme Details

1. Sucrase-isomaltase, intestinal

General function:: Involved in catalytic activity
Specific function:: Plays an important role in the final stage of carbohydrate digestion. Isomaltase activity is specific for both alpha-1,4- and alpha-1,6-oligosaccharides.
Gene Name:: SI
Uniprot ID:: P14410
Molecular weight:: Not Available

Reactions

Sucrose + Water → D-Fructose + D-Glucose	details
Sucrose + Water → D-Fructose + alpha-D-Glucose	details

Enzyme Details

2. Sulfotransferase family cytosolic 2B member 1

General function:: Involved in sulfotransferase activity
Specific function:: Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfate conjugation of many hormones, neurotransmitters, drugs and xenobiotic compounds. Sulfonation increases the water solubility of most compounds, and therefore their renal excretion, but it can also result in bioactivation to form active metabolites. Sulfates hydroxysteroids like DHEA. Isoform 1 preferentially sulfonates cholesterol, and isoform 2 avidly sulfonates pregnenolone but not cholesterol.
Gene Name:: SULT2B1
Uniprot ID:: O00204
Molecular weight:: 39598.595

Reactions

Sucrose → {[3,4-dihydroxy-5-(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methoxy}sulfonic acid	details
Sucrose → {[3,4-dihydroxy-5-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methoxy}sulfonic acid	details
Sucrose → [4-hydroxy-2,5-bis(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-3-yl]oxidanesulfonic acid	details
Sucrose → [4-hydroxy-2,5-bis(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-3-yl]oxidanesulfonic acid	details

Enzyme Details

3. UDP-glucuronosyltransferase 1-1

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:: UGT1A1
Uniprot ID:: P22309
Molecular weight:: 59590.91

Reactions

Sucrose → 6-[(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	details
Sucrose → 3,4,5-trihydroxy-6-{[4-hydroxy-2,5-bis(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-3-yl]oxy}oxane-2-carboxylic acid	details
Sucrose → 3,4,5-trihydroxy-6-{[4-hydroxy-2,5-bis(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-3-yl]oxy}oxane-2-carboxylic acid	details
Sucrose → 6-[(2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	details
Sucrose → 6-[(2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	details
Sucrose → 6-[(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	details
Sucrose → 6-{[3,4-dihydroxy-5-(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	details
Sucrose → 6-{[3,4-dihydroxy-5-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	details

Enzyme Details

4. Alpha-galactosidase A

General function:: Involved in catalytic activity
Specific function:: Not Available
Gene Name:: GLA
Uniprot ID:: P06280
Molecular weight:: Not Available

Reactions

Raffinose + Water → beta-D-Galactose + Sucrose	details

Enzyme Details

5. Lysosomal alpha-glucosidase

General function:: Involved in catalytic activity
Specific function:: Essential for the degradation of glygogen to glucose in lysosomes.
Gene Name:: GAA
Uniprot ID:: P10253
Molecular weight:: Not Available

Reactions

Sucrose + Water → D-Fructose + D-Glucose	details
Sucrose + Water → D-Fructose + alpha-D-Glucose	details

Enzyme Details

6. Maltase-glucoamylase, intestinal

General function:: Involved in catalytic activity
Specific function:: May serve as an alternate pathway for starch digestion when luminal alpha-amylase activity is reduced because of immaturity or malnutrition. May play a unique role in the digestion of malted dietary oligosaccharides used in food manufacturing.
Gene Name:: MGAM
Uniprot ID:: O43451
Molecular weight:: Not Available

Reactions

Sucrose + Water → D-Fructose + D-Glucose	details
Sucrose + Water → D-Fructose + alpha-D-Glucose	details

Enzyme Details

7. Neutral alpha-glucosidase C

General function:: Involved in catalytic activity
Specific function:: Has alpha-glucosidase activity.
Gene Name:: GANC
Uniprot ID:: Q8TET4
Molecular weight:: Not Available

Reactions

Sucrose + Water → D-Fructose + D-Glucose	details
Sucrose + Water → D-Fructose + alpha-D-Glucose	details

Showing metabocard for Sucrose (HMDB0000258)

MOL for HMDB0000258 (Sucrose)

3D MOL for HMDB0000258 (Sucrose)

3D SDF for HMDB0000258 (Sucrose)

3D-SDF for HMDB0000258 (Sucrose)

PDB for HMDB0000258 (Sucrose)

3D PDB for HMDB0000258 (Sucrose)

SMILES for HMDB0000258 (Sucrose)

INCHI for HMDB0000258 (Sucrose)

Structure for HMDB0000258 (Sucrose)

3D Structure for HMDB0000258 (Sucrose)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

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