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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (2) Show 2 proteins XML

enzymes (2) Show 2 proteins

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2022-09-22 18:35:06 UTC

HMDB ID

HMDB0001030

Secondary Accession Numbers

HMDB01030

Metabolite Identification

Common Name

3'-Ketolactose

Description

3'-Ketolactose belongs to the class of organic compounds known as disaccharides. Disaccharides are compounds containing two carbohydrate moieties linked to each to each other through a glycosidic bond, no set of three or more glycosidically linked carbohydrate units. 3'-Ketolactose exists in all living organisms, ranging from bacteria to humans. 3'-Ketolactose has been detected, but not quantified in, several different foods, such as star anises (Illicium verum), calabashes (Lagenaria siceraria), purple lavers (Porphyra laciniata), cardamoms (Elettaria cardamomum), and rapes (Brassica napus var. napus). This could make 3'-ketolactose a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 3'-Ketolactose.

Structure

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

HMDB0001030
     RDKit          3D
3'-Ketolactose
 43 44  0  0  0  0  0  0  0  0999 V2000
    4.1593   -1.5616    0.1309 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590   -0.9595    0.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7634   -1.4219    0.2195 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3293   -1.9986    1.4163 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9362   -0.1777   -0.0152 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0163   -0.4859   -0.9760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3180   -0.3612   -0.6142 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2091   -1.5285   -0.7642 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0228   -2.4976    0.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8823   -3.6018    0.1720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5507   -1.1162   -0.8001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8065    0.0126   -0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5263   -0.1607    1.2893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1288    1.2582   -0.5965 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9901    2.0475   -1.3511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8758    0.8799   -1.3467 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9231    1.8880   -1.1217 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7094    0.8357   -0.6119 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6775    1.3647    0.1945 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7951    2.0274   -0.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3400    3.0727   -1.3797 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3168    0.3572    1.1269 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6422    0.7059    1.2948 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6911   -2.1359   -0.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0234   -2.6747    1.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5285    0.1319    0.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3467   -0.0358    0.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0580   -2.1183   -1.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495   -2.0441    1.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9883   -2.9493    0.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7361   -4.2045    0.9433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9010    0.2049   -0.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1158    0.4251    1.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8522    1.8822    0.3028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6888    2.1821   -2.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0267    0.6877   -2.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7798    1.9670   -0.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2295    2.1680    0.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3480    1.2838   -1.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5342    2.4622    0.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9311    3.7409   -0.7779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7469    0.3838    2.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0315    0.0643    1.9439 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 22  2  1  0
 16  7  1  0
  3 24  1  6
  4 25  1  0
  5 26  1  1
  7 27  1  1
  8 28  1  6
  9 29  1  0
  9 30  1  0
 10 31  1  0
 12 32  1  0
 13 33  1  0
 14 34  1  1
 15 35  1  0
 16 36  1  6
 17 37  1  0
 19 38  1  1
 20 39  1  0
 20 40  1  0
 21 41  1  0
 22 42  1  1
 23 43  1  0
M  END


  Mrv0541 02231218532D          

 23 24  0  0  1  0            999 V2000
    0.8972    0.5293    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8972    1.3543    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1822    0.1203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6052    0.1203    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6052    1.7703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1822    1.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5362   -0.2957    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3237    0.5293    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6052   -0.7047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3237    1.3543    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4469    1.2340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2546    0.1203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5362   -1.1206    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0352    0.1203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0352    1.7703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9662   -0.2957    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2546   -1.5331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1787   -1.5331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9662   -1.1206    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6778    0.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2513   -2.3581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6778   -1.5331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3068   -0.4159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  7  3  1  1  0  0  0
  4  8  1  0  0  0  0
  4  9  1  1  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  1  4  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  6  0  0  0
 16 19  1  0  0  0  0
 16 20  1  1  0  0  0
 17 21  2  0  0  0  0
 19 22  1  1  0  0  0
 20 23  1  0  0  0  0
  8 10  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0001030

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C12H20O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-5,7-15,17-20H,1-2H2/t3-,4-,5+,7-,8-,9-,10-,11?,12+/m1/s1

> <INCHI_KEY>
HKKHTABTHSUDBP-ILXILVFVSA-N

> <FORMULA>
C12H20O11

> <MOLECULAR_WEIGHT>
340.2806

> <EXACT_MASS>
340.100561482

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
30.870357901790232

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-one

> <ALOGPS_LOGP>
-2.46

> <JCHEM_LOGP>
-4.088198689333334

> <ALOGPS_LOGS>
0.17

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.544518099217159

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.971756120723299

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9813738370525877

> <JCHEM_POLAR_SURFACE_AREA>
186.36999999999998

> <JCHEM_REFRACTIVITY>
67.57000000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.98e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-ketolactose

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001030
     RDKit          3D
3'-Ketolactose
 43 44  0  0  0  0  0  0  0  0999 V2000
    4.1593   -1.5616    0.1309 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590   -0.9595    0.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7634   -1.4219    0.2195 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3293   -1.9986    1.4163 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9362   -0.1777   -0.0152 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0163   -0.4859   -0.9760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3180   -0.3612   -0.6142 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2091   -1.5285   -0.7642 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0228   -2.4976    0.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8823   -3.6018    0.1720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5507   -1.1162   -0.8001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8065    0.0126   -0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5263   -0.1607    1.2893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1288    1.2582   -0.5965 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9901    2.0475   -1.3511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8758    0.8799   -1.3467 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9231    1.8880   -1.1217 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7094    0.8357   -0.6119 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6775    1.3647    0.1945 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7951    2.0274   -0.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3400    3.0727   -1.3797 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3168    0.3572    1.1269 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6422    0.7059    1.2948 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6911   -2.1359   -0.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0234   -2.6747    1.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5285    0.1319    0.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3467   -0.0358    0.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0580   -2.1183   -1.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495   -2.0441    1.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9883   -2.9493    0.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7361   -4.2045    0.9433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9010    0.2049   -0.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1158    0.4251    1.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8522    1.8822    0.3028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6888    2.1821   -2.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0267    0.6877   -2.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7798    1.9670   -0.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2295    2.1680    0.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3480    1.2838   -1.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5342    2.4622    0.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9311    3.7409   -0.7779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7469    0.3838    2.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0315    0.0643    1.9439 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 22  2  1  0
 16  7  1  0
  3 24  1  6
  4 25  1  0
  5 26  1  1
  7 27  1  1
  8 28  1  6
  9 29  1  0
  9 30  1  0
 10 31  1  0
 12 32  1  0
 13 33  1  0
 14 34  1  1
 15 35  1  0
 16 36  1  6
 17 37  1  0
 19 38  1  1
 20 39  1  0
 20 40  1  0
 21 41  1  0
 22 42  1  1
 23 43  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0       1.675   0.988   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.675   2.528   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       0.340   0.225   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       2.996   0.225   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       2.996   3.305   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       0.340   3.305   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.001  -0.552   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.338   0.988   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.996  -1.315   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.338   2.528   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.834   2.303   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -2.342   0.225   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -1.001  -2.092   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       5.666   0.225   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       5.666   3.305   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -3.670  -0.552   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.342  -2.862   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       0.334  -2.862   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -3.670  -2.092   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.999   0.225   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -2.336  -4.402   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -4.999  -2.862   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -6.173  -0.776   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7                                                       
CONECT    4    1    8    9                                                  
CONECT    5    2   10                                                       
CONECT    6    2   11                                                       
CONECT    7    3   12   13                                                  
CONECT    8    4   14   10                                                  
CONECT    9    4                                                            
CONECT   10    5   15    8                                                  
CONECT   11    6                                                            
CONECT   12    7   16                                                       
CONECT   13    7   17   18                                                  
CONECT   14    8                                                            
CONECT   15   10                                                            
CONECT   16   12   19   20                                                  
CONECT   17   13   21   19                                                  
CONECT   18   13                                                            
CONECT   19   16   22   17                                                  
CONECT   20   16   23                                                       
CONECT   21   17                                                            
CONECT   22   19                                                            
CONECT   23   20                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

COMPND    HMDB0001030
HETATM    1  O1  UNL     1       4.159  -1.562   0.131  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.159  -0.959   0.449  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.763  -1.422   0.219  1.00  0.00           C  
HETATM    4  O2  UNL     1       1.329  -1.999   1.416  1.00  0.00           O  
HETATM    5  C3  UNL     1       0.936  -0.178  -0.015  1.00  0.00           C  
HETATM    6  O3  UNL     1      -0.016  -0.486  -0.976  1.00  0.00           O  
HETATM    7  C4  UNL     1      -1.318  -0.361  -0.614  1.00  0.00           C  
HETATM    8  C5  UNL     1      -2.209  -1.528  -0.764  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.023  -2.498   0.385  1.00  0.00           C  
HETATM   10  O4  UNL     1      -2.882  -3.602   0.172  1.00  0.00           O  
HETATM   11  O5  UNL     1      -3.551  -1.116  -0.800  1.00  0.00           O  
HETATM   12  C7  UNL     1      -3.806   0.013  -0.063  1.00  0.00           C  
HETATM   13  O6  UNL     1      -3.526  -0.161   1.289  1.00  0.00           O  
HETATM   14  C8  UNL     1      -3.129   1.258  -0.597  1.00  0.00           C  
HETATM   15  O7  UNL     1      -3.990   2.048  -1.351  1.00  0.00           O  
HETATM   16  C9  UNL     1      -1.876   0.880  -1.347  1.00  0.00           C  
HETATM   17  O8  UNL     1      -0.923   1.888  -1.122  1.00  0.00           O  
HETATM   18  O9  UNL     1       1.709   0.836  -0.612  1.00  0.00           O  
HETATM   19  C10 UNL     1       2.677   1.365   0.195  1.00  0.00           C  
HETATM   20  C11 UNL     1       3.795   2.027  -0.586  1.00  0.00           C  
HETATM   21  O10 UNL     1       3.340   3.073  -1.380  1.00  0.00           O  
HETATM   22  C12 UNL     1       3.317   0.357   1.127  1.00  0.00           C  
HETATM   23  O11 UNL     1       4.642   0.706   1.295  1.00  0.00           O  
HETATM   24  H1  UNL     1       1.691  -2.136  -0.624  1.00  0.00           H  
HETATM   25  H2  UNL     1       2.023  -2.675   1.655  1.00  0.00           H  
HETATM   26  H3  UNL     1       0.528   0.132   0.949  1.00  0.00           H  
HETATM   27  H4  UNL     1      -1.347  -0.036   0.461  1.00  0.00           H  
HETATM   28  H5  UNL     1      -2.058  -2.118  -1.690  1.00  0.00           H  
HETATM   29  H6  UNL     1      -2.149  -2.044   1.367  1.00  0.00           H  
HETATM   30  H7  UNL     1      -0.988  -2.949   0.338  1.00  0.00           H  
HETATM   31  H8  UNL     1      -2.736  -4.204   0.943  1.00  0.00           H  
HETATM   32  H9  UNL     1      -4.901   0.205  -0.149  1.00  0.00           H  
HETATM   33  H10 UNL     1      -4.116   0.425   1.826  1.00  0.00           H  
HETATM   34  H11 UNL     1      -2.852   1.882   0.303  1.00  0.00           H  
HETATM   35  H12 UNL     1      -3.689   2.182  -2.274  1.00  0.00           H  
HETATM   36  H13 UNL     1      -2.027   0.688  -2.407  1.00  0.00           H  
HETATM   37  H14 UNL     1      -0.780   1.967  -0.145  1.00  0.00           H  
HETATM   38  H15 UNL     1       2.230   2.168   0.824  1.00  0.00           H  
HETATM   39  H16 UNL     1       4.348   1.284  -1.196  1.00  0.00           H  
HETATM   40  H17 UNL     1       4.534   2.462   0.118  1.00  0.00           H  
HETATM   41  H18 UNL     1       2.931   3.741  -0.778  1.00  0.00           H  
HETATM   42  H19 UNL     1       2.747   0.384   2.084  1.00  0.00           H  
HETATM   43  H20 UNL     1       5.031   0.064   1.944  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   22
CONECT    3    4    5   24
CONECT    4   25
CONECT    5    6   18   26
CONECT    6    7
CONECT    7    8   16   27
CONECT    8    9   11   28
CONECT    9   10   29   30
CONECT   10   31
CONECT   11   12
CONECT   12   13   14   32
CONECT   13   33
CONECT   14   15   16   34
CONECT   15   35
CONECT   16   17   36
CONECT   17   37
CONECT   18   19
CONECT   19   20   22   38
CONECT   20   21   39   40
CONECT   21   41
CONECT   22   23   42
CONECT   23   43
END

HMDB0001030
     RDKit          3D
3'-Ketolactose
 43 44  0  0  0  0  0  0  0  0999 V2000
    4.1593   -1.5616    0.1309 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590   -0.9595    0.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7634   -1.4219    0.2195 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3293   -1.9986    1.4163 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9362   -0.1777   -0.0152 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0163   -0.4859   -0.9760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3180   -0.3612   -0.6142 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2091   -1.5285   -0.7642 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0228   -2.4976    0.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8823   -3.6018    0.1720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5507   -1.1162   -0.8001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8065    0.0126   -0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5263   -0.1607    1.2893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1288    1.2582   -0.5965 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9901    2.0475   -1.3511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8758    0.8799   -1.3467 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9231    1.8880   -1.1217 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7094    0.8357   -0.6119 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6775    1.3647    0.1945 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7951    2.0274   -0.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3400    3.0727   -1.3797 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3168    0.3572    1.1269 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6422    0.7059    1.2948 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6911   -2.1359   -0.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0234   -2.6747    1.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5285    0.1319    0.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3467   -0.0358    0.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0580   -2.1183   -1.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495   -2.0441    1.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9883   -2.9493    0.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7361   -4.2045    0.9433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9010    0.2049   -0.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1158    0.4251    1.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8522    1.8822    0.3028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6888    2.1821   -2.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0267    0.6877   -2.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7798    1.9670   -0.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2295    2.1680    0.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3480    1.2838   -1.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5342    2.4622    0.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9311    3.7409   -0.7779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7469    0.3838    2.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0315    0.0643    1.9439 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 22  2  1  0
 16  7  1  0
  3 24  1  6
  4 25  1  0
  5 26  1  1
  7 27  1  1
  8 28  1  6
  9 29  1  0
  9 30  1  0
 10 31  1  0
 12 32  1  0
 13 33  1  0
 14 34  1  1
 15 35  1  0
 16 36  1  6
 17 37  1  0
 19 38  1  1
 20 39  1  0
 20 40  1  0
 21 41  1  0
 22 42  1  1
 23 43  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
3'-dehydro-beta-D-Galactosyl-beta-D-glucopyranoside	HMDB
3'-dehydro-beta-delta-Galactosyl-beta-delta-glucopyranoside	HMDB
4-O-(beta-D-xylo-Hexopyranosyl-3-ulose)-D-glucopyranose	MeSH, HMDB
4-O-beta-D-xylo-Hexopyranos-3-ulos-1-yl-D-glucose	MeSH, HMDB

Chemical Formula

C₁₂H₂₀O₁₁

Average Molecular Weight

340.2806

Monoisotopic Molecular Weight

340.100561482

IUPAC Name

(2R,3S,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-one

Traditional Name

3-ketolactose

CAS Registry Number

15990-62-2

SMILES

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

InChI Identifier

InChI=1S/C12H20O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-5,7-15,17-20H,1-2H2/t3-,4-,5+,7-,8-,9-,10-,11?,12+/m1/s1

InChI Key

HKKHTABTHSUDBP-ILXILVFVSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as disaccharides. Disaccharides are compounds containing two carbohydrate moieties linked to each to each other through a glycosidic bond, no set of three or more glycosidically linked carbohydrate units.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Disaccharides

Alternative Parents

Substituents

Disaccharide
Oxane
Hemiacetal
Ketone
Cyclic ketone
Secondary alcohol
Acetal
Oxacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Organic oxide
Alcohol
Carbonyl group
Primary alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Cytoplasm (HMDB: HMDB0001030)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0001030)

Source

Endogenous

Endogenous (HMDB: HMDB0001030)

Plant

Animal

Animal (HMDB: HMDB0001030)

Exogenous

Food

Food (HMDB: HMDB0001030)

Animal origin

Poultry

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Herbs and Spices (FooDB: FOOD00866)

Nut

Almond (FooDB: FOOD00148)
Brazil nut (FooDB: FOOD00024)
Cashew nut (FooDB: FOOD00011)
Chestnut (FooDB: FOOD00045)
Hazelnut (FooDB: FOOD00376)
Peanut (FooDB: FOOD00016)
Pecan nut (FooDB: FOOD00044)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Walnut (FooDB: FOOD00608)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hickory nut (FooDB: FOOD00377)
Macadamia nut (FooDB: FOOD00525)
Mixed nuts (FooDB: FOOD00771)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Japanese chestnut (FooDB: FOOD00385)
Common hazelnut (FooDB: FOOD00062)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Nuts (FooDB: FOOD00869)

Fruit

Pome

Drupe

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

Tropical fruit

Berry

Bilberry (FooDB: FOOD00193)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Elderberry (FooDB: FOOD00358)
Gooseberry (FooDB: FOOD00157)
Grape (FooDB: FOOD00369)
Lingonberry (FooDB: FOOD00194)
Loganberry (FooDB: FOOD00400)
Strawberry (FooDB: FOOD00083)
Boysenberry (FooDB: FOOD00542)
American cranberry (FooDB: FOOD00192)
Common grape (FooDB: FOOD00204)
Strawberry guava (FooDB: FOOD00482)
Black mulberry (FooDB: FOOD00117)
Red raspberry (FooDB: FOOD00162)
Muscadine grape (FooDB: FOOD00203)
Salmonberry (FooDB: FOOD00456)
Alaska blueberry (FooDB: FOOD00380)
Sea-buckthornberry (FooDB: FOOD00087)
Black elderberry (FooDB: FOOD00166)
Black crowberry (FooDB: FOOD00075)
Black huckleberry (FooDB: FOOD00084)
Mulberry (FooDB: FOOD00116)
Black chokeberry (FooDB: FOOD00136)
Cloudberry (FooDB: FOOD00161)
Black raspberry (FooDB: FOOD00163)
Rowanberry (FooDB: FOOD00176)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
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)
Ohelo berry (FooDB: FOOD00419)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)

Other fruit

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

Citrus

Grapefruit (FooDB: FOOD00256)
Lemon (FooDB: FOOD00054)
Lime (FooDB: FOOD00053)
Sweet orange (FooDB: FOOD00057)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Persian lime (FooDB: FOOD00543)
Pummelo (FooDB: FOOD00055)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Citrus (FooDB: FOOD00859)

Fruits (FooDB: FOOD00871)

Vegetable

Shoot vegetable

Fruit vegetable

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

Root vegetable

Cabbage

Leaf vegetable

Lettuce (FooDB: FOOD00095)
Swiss chard (FooDB: FOOD00237)
Garden cress (FooDB: FOOD00099)
Endive (FooDB: FOOD00048)
Spinach (FooDB: FOOD00178)
Common beet (FooDB: FOOD00025)
Garland chrysanthemum (FooDB: FOOD00333)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
New Zealand spinach (FooDB: FOOD00415)
Swamp cabbage (FooDB: FOOD00091)
Rocket salad (ssp.) (FooDB: FOOD00077)
Yautia (FooDB: FOOD00510)
Romaine lettuce (FooDB: FOOD00888)
Rocket salad (FooDB: FOOD00244)
Chicory leaves (FooDB: FOOD00250)
Corn salad (FooDB: FOOD00340)
Malabar spinach (FooDB: FOOD00404)
Ostrich fern (FooDB: FOOD00556)
Green vegetables (FooDB: FOOD00872)

Mushroom

Tuber

Onion-family vegetable

Leek (FooDB: FOOD00007)
Allium (FooDB: FOOD00005)
Wild leek (FooDB: FOOD00396)
Shallot (FooDB: FOOD00243)
Garden onion (FooDB: FOOD00006)
Garden onion (var.) (FooDB: FOOD00226)
Onion-family vegetables (FooDB: FOOD00855)
Green onion (FooDB: FOOD00963)
Red onion (FooDB: FOOD00962)

Other vegetable

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

Stalk vegetable

Brassica

Brassicas (FooDB: FOOD00857)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Other soy product (FooDB: FOOD00271)

Cereal and cereal product

Other bread

Other bread (FooDB: FOOD00269)

Cereal

Cereal product

Dough

Sourdough (FooDB: FOOD00275)

Cereals and cereal products (FooDB: FOOD00858)

Pulse

Bean

Lentil

Lentils (FooDB: FOOD00098)

Pea

Other pulse

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

Pulses (FooDB: FOOD00867)

Abalone (FooDB: FOOD00279)
Conch (FooDB: FOOD00611)

Gourd

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

Tea

Herbal tea

Greenthread tea (FooDB: FOOD00820)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	498 g/L	ALOGPS
logP	-2.5	ALOGPS
logP	-4.1	ChemAxon
logS	0.17	ALOGPS
pKa (Strongest Acidic)	10.97	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	186.37 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	67.57 m³·mol⁻¹	ChemAxon
Polarizability	30.87 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]+	177.59	31661259
DarkChem	[M-H]-	168.528	31661259
AllCCS	[M+H]+	176.505	32859911
AllCCS	[M-H]-	172.874	32859911
DeepCCS	[M+H]+	171.322	30932474
DeepCCS	[M-H]-	168.926	30932474
DeepCCS	[M-2H]-	202.956	30932474
DeepCCS	[M+Na]+	177.372	30932474
AllCCS	[M+H]+	176.5	32859911
AllCCS	[M+H-H2O]+	173.5	32859911
AllCCS	[M+NH4]+	179.3	32859911
AllCCS	[M+Na]+	180.1	32859911
AllCCS	[M-H]-	172.9	32859911
AllCCS	[M+Na-2H]-	172.3	32859911
AllCCS	[M+HCOO]-	171.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
3'-Ketolactose	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O	3119.2	Standard polar	33892256
3'-Ketolactose	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O	2930.7	Standard non polar	33892256
3'-Ketolactose	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O	2815.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
3'-Ketolactose,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)C(=O)[C@H]1O	2778.7	Semi standard non polar	33892256
3'-Ketolactose,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](O)C(O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O	2789.6	Semi standard non polar	33892256
3'-Ketolactose,1TMS,isomer #3	C[Si](C)(C)O[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(=O)[C@H]2O)[C@@H]1O	2790.0	Semi standard non polar	33892256
3'-Ketolactose,1TMS,isomer #4	C[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(=O)[C@H]2O)[C@H](O)[C@H]1O	2823.6	Semi standard non polar	33892256
3'-Ketolactose,1TMS,isomer #5	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O	2784.3	Semi standard non polar	33892256
3'-Ketolactose,1TMS,isomer #6	C[Si](C)(C)O[C@@H]1C(=O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O)[C@H](O)[C@H]1O	2786.5	Semi standard non polar	33892256
3'-Ketolactose,1TMS,isomer #7	C[Si](C)(C)O[C@@H]1C(=O)[C@@H](O)[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)O[C@@H]1CO	2779.8	Semi standard non polar	33892256
3'-Ketolactose,1TMS,isomer #8	C[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@@H]1O	2800.4	Semi standard non polar	33892256
3'-Ketolactose,1TMS,isomer #9	C[Si](C)(C)OC1=C(O)[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H]1O	2801.2	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O)[C@H](O)C(=O)[C@H]1O	2781.3	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #10	C[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(=O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	2788.9	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #11	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O	2767.3	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #12	C[Si](C)(C)O[C@@H]1C(=O)[C@@H](O)[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	2775.3	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #13	C[Si](C)(C)O[C@@H]1C(=O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O)[C@H](O)[C@H]1O[Si](C)(C)C	2771.9	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #14	C[Si](C)(C)OC1=C(O)[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H]1O	2770.6	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #15	C[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O	2773.7	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #16	C[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(=O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	2800.6	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #17	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O	2776.5	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #18	C[Si](C)(C)O[C@@H]1C(=O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)O[C@@H]1CO	2781.3	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #19	C[Si](C)(C)O[C@@H]1C(=O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]1CO	2786.2	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)C(=O)[C@H]1O	2798.9	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #20	C[Si](C)(C)OC1=C(O)[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H]1O	2780.7	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #21	C[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)[C@@H]1O	2780.4	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #22	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O	2792.3	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #23	C[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]2O)[C@H](O)[C@H]1O	2807.2	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #24	C[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(=O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	2809.9	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #25	C[Si](C)(C)OC1=C(O)[C@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H]1O	2811.0	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #26	C[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H]1O	2811.5	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #27	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2778.8	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #28	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2772.9	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #29	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C)=C1O	2779.4	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O	2771.5	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #30	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C)[C@H]1O	2779.3	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #31	C[Si](C)(C)O[C@@H]1C(=O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O)[C@H](O)[C@H]1O	2767.6	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #32	C[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C	2788.5	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #33	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O)[C@H](O)[C@H]1O	2822.3	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #34	C[Si](C)(C)OC1=C(O)[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H]1O[Si](C)(C)C	2785.3	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #35	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)O[C@@H]1CO	2819.5	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)C(=O)[C@H]1O	2769.3	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2770.7	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2784.2	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)C(O[Si](C)(C)C)=C1O	2776.6	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)C(O)=C(O[Si](C)(C)C)[C@H]1O	2778.1	Semi standard non polar	33892256
3'-Ketolactose,2TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)C(O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O	2797.2	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)C(=O)[C@H]1O	2692.6	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2717.6	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2728.9	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)C(O[Si](C)(C)C)=C1O	2746.8	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O)=C(O[Si](C)(C)C)[C@H]1O	2744.6	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O	2706.9	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2707.2	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2716.2	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)[C@H](O)C(O[Si](C)(C)C)=C1O	2719.2	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)C(O)=C(O[Si](C)(C)C)[C@H]1O	2722.8	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2680.1	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)[C@H](O)C(=O)[C@H]1O	2682.0	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2697.7	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)C(O[Si](C)(C)C)=C1O	2711.8	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)[C@H]1O	2710.8	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2704.5	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2716.5	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2755.2	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2762.9	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #27	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2728.0	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #28	C[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(=O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2751.1	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #29	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O	2704.4	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)C(=O)[C@H]1O	2662.1	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #30	C[Si](C)(C)O[C@@H]1C(=O)[C@@H](O)[C@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)O[C@@H]1CO	2755.4	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #31	C[Si](C)(C)O[C@@H]1C(=O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]1CO	2746.7	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #32	C[Si](C)(C)OC1=C(O)[C@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H]1O	2752.1	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #33	C[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)[C@@H]1O	2764.4	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #34	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O	2684.1	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #35	C[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	2738.3	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #36	C[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(=O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2728.5	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #37	C[Si](C)(C)OC1=C(O)[C@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H]1O	2740.1	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #38	C[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O	2762.1	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #39	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2679.1	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2682.8	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #40	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2675.8	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #41	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C)=C1O	2710.0	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #42	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C)[C@H]1O	2718.6	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #43	C[Si](C)(C)O[C@@H]1C(=O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O)[C@H](O)[C@H]1O[Si](C)(C)C	2710.9	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #44	C[Si](C)(C)OC1=C(O)[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H]1O[Si](C)(C)C	2740.4	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #45	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	2774.1	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #46	C[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2737.0	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #47	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O)[C@H](O)[C@H]1O[Si](C)(C)C	2768.4	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #48	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O	2708.7	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #49	C[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	2766.8	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2692.6	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #50	C[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(=O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2758.5	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #51	C[Si](C)(C)OC1=C(O)[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)O[C@H](CO)[C@@H]1O	2761.1	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #52	C[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)[C@@H]1O	2779.8	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #53	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2701.5	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #54	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2701.4	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #55	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C)=C1O	2713.0	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #56	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C)[C@H]1O	2726.9	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #57	C[Si](C)(C)O[C@@H]1C(=O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]1CO	2744.5	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #58	C[Si](C)(C)OC1=C(O)[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H]1O[Si](C)(C)C	2756.3	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #59	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)O[C@@H]1CO	2783.6	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O)[C@H](O)C(O[Si](C)(C)C)=C1O	2723.9	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #60	C[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)[C@@H]1O[Si](C)(C)C	2754.8	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #61	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]1CO	2780.4	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #62	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2701.5	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #63	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2705.4	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #64	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C)=C1O	2728.3	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #65	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C)[C@H]1O	2745.6	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #66	C[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	2742.7	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #67	C[Si](C)(C)OC1=C(O)[C@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H]1O[Si](C)(C)C	2767.4	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #68	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@@H]1CO	2805.5	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #69	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]1O	2802.4	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O)C(O)=C(O[Si](C)(C)C)[C@H]1O	2719.1	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #70	C[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C	2774.5	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #71	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2687.1	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #72	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2731.0	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #73	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2773.1	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #74	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2771.5	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #75	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2728.9	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #76	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)O[C@@H]1CO	2792.7	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #77	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O)[C@H](O)[C@H]1O	2777.2	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O	2726.0	Semi standard non polar	33892256
3'-Ketolactose,3TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)C(=O)[C@H]1O	2689.1	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O)C(=O)[C@H]1O	2635.0	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)[C@H](O)C(O[Si](C)(C)C)=C1O	2669.9	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #100	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2695.4	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #101	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2667.7	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #102	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]1O	2718.9	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #103	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@@H]1CO	2730.1	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #104	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2700.1	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #105	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2705.1	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)[C@H]1O	2669.9	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2627.7	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2642.8	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)C(O[Si](C)(C)C)=C1O	2644.7	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)[C@H]1O	2645.9	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2655.7	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2652.6	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2680.3	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2697.0	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)C(=O)[C@H]1O	2633.2	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2661.1	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O	2670.9	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2682.6	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2694.9	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)[C@H](O)C(O[Si](C)(C)C)=C1O	2681.4	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)C(O)=C(O[Si](C)(C)C)[C@H]1O	2682.4	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2676.1	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #27	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2695.7	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #28	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)C(O[Si](C)(C)C)=C1O	2671.5	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #29	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)[C@H]1O	2674.6	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2644.4	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #30	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2681.0	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #31	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2663.3	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #32	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2695.6	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #33	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2708.1	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #34	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2679.5	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #35	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2705.5	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #36	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2719.9	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #37	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)[C@H](O)C(O[Si](C)(C)C)=C1O	2696.9	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #38	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)C(O)=C(O[Si](C)(C)C)[C@H]1O	2702.4	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #39	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2708.1	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2653.4	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #40	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2673.3	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #41	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2701.1	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #42	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2714.8	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #43	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2687.9	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #44	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2659.7	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #45	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2649.9	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #46	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2674.4	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #47	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2689.6	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #48	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2666.9	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #49	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2697.0	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)C(O[Si](C)(C)C)=C1O	2650.0	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #50	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2700.9	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #51	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O	2669.5	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #52	C[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2727.0	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #53	C[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(=O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2712.5	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #54	C[Si](C)(C)OC1=C(O)[C@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)O[C@H](CO)[C@@H]1O	2721.4	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #55	C[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)[C@@H]1O	2729.6	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #56	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2704.2	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #57	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2691.0	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #58	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C)=C1O	2690.8	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #59	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C)[C@H]1O	2691.3	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O)=C(O[Si](C)(C)C)[C@H]1O	2650.4	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #60	C[Si](C)(C)O[C@@H]1C(=O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]1CO	2722.1	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #61	C[Si](C)(C)OC1=C(O)[C@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H]1O[Si](C)(C)C	2730.4	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #62	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)O[C@@H]1CO	2738.4	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #63	C[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)[C@@H]1O[Si](C)(C)C	2723.5	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #64	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]1CO	2736.5	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #65	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2678.1	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #66	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2664.1	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #67	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C)=C1O	2660.1	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #68	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C)[C@H]1O	2670.0	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #69	C[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2700.7	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)[C@H](O)C(=O)[C@H]1O	2654.8	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #70	C[Si](C)(C)OC1=C(O)[C@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H]1O[Si](C)(C)C	2700.6	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #71	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	2718.9	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #72	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2706.7	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #73	C[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2702.4	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #74	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2645.1	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #75	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2663.4	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #76	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2693.0	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #77	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2687.8	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #78	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2660.3	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #79	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	2710.8	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2666.7	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #80	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O)[C@H](O)[C@H]1O[Si](C)(C)C	2702.8	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #81	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2669.3	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #82	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2659.7	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #83	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C)=C1O	2665.4	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #84	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C)[C@H]1O	2676.1	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #85	C[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2708.9	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #86	C[Si](C)(C)OC1=C(O)[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)O[C@H](CO)[C@@H]1O[Si](C)(C)C	2706.4	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #87	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)O[C@@H]1CO	2732.5	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #88	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]1CO	2720.7	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #89	C[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)[C@@H]1O[Si](C)(C)C	2710.9	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2676.1	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #90	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2689.3	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #91	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2689.4	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #92	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2712.5	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #93	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2707.3	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #94	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2685.3	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #95	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)O[C@@H]1CO	2737.3	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #96	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]1CO	2727.5	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #97	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2656.6	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #98	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2663.5	Semi standard non polar	33892256
3'-Ketolactose,4TMS,isomer #99	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2701.8	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O)C(=O)[C@H]1O	2654.3	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2621.0	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2610.0	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2631.2	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2647.8	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2615.1	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2648.8	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2667.3	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)[C@H](O)C(O[Si](C)(C)C)=C1O	2654.6	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)[C@H]1O	2652.5	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2664.7	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2644.6	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2659.8	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2678.1	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2688.5	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2668.4	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2623.4	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2622.9	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2635.9	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #27	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2652.5	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #28	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2630.2	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #29	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2667.4	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2659.4	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #30	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2663.1	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #31	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2660.0	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #32	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2673.2	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #33	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)[C@H](O)C(O[Si](C)(C)C)=C1O	2669.1	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #34	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)C(O)=C(O[Si](C)(C)C)[C@H]1O	2670.1	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #35	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2668.3	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #36	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2656.7	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #37	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2671.0	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #38	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2688.1	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #39	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2669.7	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O)C(O[Si](C)(C)C)=C1O	2638.1	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #40	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2643.7	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #41	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2644.0	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #42	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2647.4	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #43	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2672.3	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #44	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2658.1	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #45	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2663.3	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #46	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2659.3	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #47	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2666.1	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #48	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2681.3	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #49	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2678.1	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)[C@H]1O	2638.9	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #50	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2699.2	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #51	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2696.5	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #52	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2708.0	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #53	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2705.2	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #54	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2670.8	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #55	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2666.8	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #56	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2675.5	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #57	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2664.4	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #58	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C)=C1O	2666.5	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #59	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C)[C@H]1O	2673.1	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2632.0	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #60	C[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2667.9	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #61	C[Si](C)(C)OC1=C(O)[C@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)O[C@H](CO)[C@@H]1O[Si](C)(C)C	2698.6	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #62	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)O[C@@H]1CO	2707.9	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #63	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]1CO	2694.9	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #64	C[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)[C@@H]1O[Si](C)(C)C	2693.1	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #65	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2646.0	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #66	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2679.3	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #67	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2687.4	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #68	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2673.4	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #69	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2674.5	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2655.6	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #70	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)O[C@@H]1CO	2710.7	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #71	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]1CO	2702.1	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #72	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2632.1	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #73	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2655.6	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #74	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2672.5	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #75	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2651.2	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #76	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2646.2	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #77	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2674.7	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #78	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	2683.8	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #79	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2661.7	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)C(O[Si](C)(C)C)=C1O	2625.7	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #80	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2662.8	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #81	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2645.8	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #82	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2660.9	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #83	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2680.2	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #84	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2670.0	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #85	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2654.7	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #86	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]1CO	2693.8	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #87	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)O[C@@H]1CO	2699.9	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #88	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2695.1	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #89	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2698.8	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)[C@H]1O	2626.1	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #90	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2657.7	Semi standard non polar	33892256
3'-Ketolactose,5TMS,isomer #91	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2660.5	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O	2630.5	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2621.5	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2613.1	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2614.5	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2643.0	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2626.2	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2633.2	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2626.8	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2630.4	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2640.7	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2631.7	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C	2654.2	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2657.6	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2645.8	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2659.0	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2655.6	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2636.7	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2630.6	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2643.4	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #27	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2643.8	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #28	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2635.0	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #29	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2665.8	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O)C(O[Si](C)(C)C)=C1O	2642.6	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #30	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2658.4	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #31	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2656.0	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #32	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2652.0	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #33	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2643.5	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #34	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2637.2	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #35	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2666.1	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #36	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2659.4	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #37	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2637.2	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #38	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2661.2	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #39	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2663.6	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)[C@H]1O	2632.9	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #40	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2641.3	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #41	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2655.8	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #42	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]1CO	2660.1	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #43	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)O[C@@H]1CO	2667.7	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #44	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2652.7	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #45	C[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2660.4	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #46	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2633.2	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #47	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2639.6	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #48	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2645.4	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #49	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2647.4	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2628.8	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2630.7	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2630.4	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2649.7	Semi standard non polar	33892256
3'-Ketolactose,6TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2633.9	Semi standard non polar	33892256
3'-Ketolactose,7TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@H]1O[Si](C)(C)C	2666.1	Semi standard non polar	33892256
3'-Ketolactose,7TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2671.0	Semi standard non polar	33892256
3'-Ketolactose,7TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2661.0	Semi standard non polar	33892256
3'-Ketolactose,7TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2663.7	Semi standard non polar	33892256
3'-Ketolactose,7TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2656.9	Semi standard non polar	33892256
3'-Ketolactose,7TMS,isomer #14	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2650.8	Semi standard non polar	33892256
3'-Ketolactose,7TMS,isomer #15	C[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2658.1	Semi standard non polar	33892256
3'-Ketolactose,7TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O	2655.7	Semi standard non polar	33892256
3'-Ketolactose,7TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O	2636.2	Semi standard non polar	33892256
3'-Ketolactose,7TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2674.4	Semi standard non polar	33892256
3'-Ketolactose,7TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2666.0	Semi standard non polar	33892256
3'-Ketolactose,7TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2666.9	Semi standard non polar	33892256
3'-Ketolactose,7TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2660.4	Semi standard non polar	33892256
3'-Ketolactose,7TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	2662.9	Semi standard non polar	33892256
3'-Ketolactose,7TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2655.0	Semi standard non polar	33892256
3'-Ketolactose,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)C(=O)[C@H]1O	3023.1	Semi standard non polar	33892256
3'-Ketolactose,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)C(O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O	3043.2	Semi standard non polar	33892256
3'-Ketolactose,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(=O)[C@H]2O)[C@@H]1O	3031.6	Semi standard non polar	33892256
3'-Ketolactose,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(=O)[C@H]2O)[C@H](O)[C@H]1O	3056.4	Semi standard non polar	33892256
3'-Ketolactose,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O	3036.0	Semi standard non polar	33892256
3'-Ketolactose,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O)[C@H](O)[C@H]1O	3029.5	Semi standard non polar	33892256
3'-Ketolactose,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)[C@@H](O)[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)O[C@@H]1CO	3021.9	Semi standard non polar	33892256
3'-Ketolactose,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@@H]1O	3066.7	Semi standard non polar	33892256
3'-Ketolactose,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=C(O)[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H]1O	3067.9	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(O)[C@H](O)[C@H]2O)[C@H](O)C(=O)[C@H]1O	3232.2	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(=O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3252.1	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O	3241.0	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)[C@@H](O)[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3241.7	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3247.5	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=C(O)[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H]1O	3256.8	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	3258.6	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(=O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3257.5	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O	3255.6	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)O[C@@H]1CO	3251.2	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]1CO	3255.0	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)C(=O)[C@H]1O	3256.2	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=C(O)[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H]1O	3255.5	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)[C@@H]1O	3258.5	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O	3253.5	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]2O)[C@H](O)[C@H]1O	3259.4	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(=O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3270.8	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=C(O)[C@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H]1O	3281.4	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H]1O	3285.3	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]1O	3241.6	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3239.0	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O	3257.8	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O	3245.3	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3257.8	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O)[C@H](O)[C@H]1O	3232.6	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	3265.3	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O)[C@H](O)[C@H]1O	3311.0	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=C(O)[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H]1O[Si](C)(C)C(C)(C)C	3260.6	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)O[C@@H]1CO	3316.3	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)[C@H]1O	3235.2	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]1O	3233.6	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3239.1	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O	3254.0	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3247.3	Semi standard non polar	33892256
3'-Ketolactose,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O	3259.7	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)C(=O)[C@H]1O	3387.3	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(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(=O)[C@H]1O	3415.3	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3418.9	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O	3401.5	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3398.0	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O	3415.2	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]1O	3423.4	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3428.7	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O	3387.9	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3388.8	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(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(=O)[C@H]1O	3410.2	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)[C@H]1O	3406.8	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3405.4	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O	3380.6	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3383.5	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3412.1	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1O	3395.3	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3416.4	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	3429.9	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3406.1	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(=O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3435.7	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O	3426.2	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)[C@H]1O	3388.0	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)[C@@H](O)[C@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)O[C@@H]1CO	3445.0	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]1CO	3451.8	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=C(O)[C@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H]1O	3411.5	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)[C@@H]1O	3409.9	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O	3404.8	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3423.8	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(=O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3437.2	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=C(O)[C@H](O[C@@H]2[C@@H](CO)OC(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]1O	3404.9	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	3412.4	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]1O	3398.1	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]1O	3406.1	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3408.5	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O	3396.3	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3395.1	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3417.3	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=C(O)[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H]1O[Si](C)(C)C(C)(C)C	3394.7	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3452.9	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3415.0	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3447.1	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O	3390.8	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3431.9	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(O)[C@H](O)[C@H]2O)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3411.6	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(=O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3437.0	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1=C(O)[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)O[C@@H]2CO)O[C@H](CO)[C@@H]1O	3403.2	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)O[C@@H]2CO)[C@@H]1O	3410.7	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]1O	3426.7	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3431.7	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O	3402.6	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3406.7	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #57	CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]1CO	3433.1	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OC1=C(O)[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H]1O[Si](C)(C)C(C)(C)C	3397.1	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #59	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)O[C@@H]1CO	3467.1	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(O)[C@H](O)[C@H]2O)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O	3402.6	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #60	CC(C)(C)[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)[C@@H]1O[Si](C)(C)C(C)(C)C	3420.4	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]1CO	3455.9	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]1O	3401.7	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3409.7	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #64	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O	3401.7	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3407.6	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #66	CC(C)(C)[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3425.8	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #67	CC(C)(C)[Si](C)(C)OC1=C(O)[C@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H]1O[Si](C)(C)C(C)(C)C	3407.6	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #68	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@@H]1CO	3462.1	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #69	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3453.0	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(O)[C@H](O)[C@H]2O)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3403.1	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #70	CC(C)(C)[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	3431.5	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #71	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3402.2	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #72	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1O	3405.3	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #73	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3448.6	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #74	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	3441.9	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #75	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3410.4	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #76	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)O[C@@H]1CO	3462.5	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #77	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O)[C@H](O)[C@H]1O	3439.6	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O	3396.4	Semi standard non polar	33892256
3'-Ketolactose,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(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(=O)[C@H]1O	3400.3	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)O[C@@H]2CO[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)[C@H]1O	3539.8	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C(C)(C)C)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O	3529.2	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #100	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	3553.8	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #101	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3524.4	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #102	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3567.7	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #103	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@@H]1CO	3590.6	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #104	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	3565.2	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #105	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3576.5	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C(C)(C)C)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3530.6	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(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(=O)[C@H]1O	3553.7	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3555.3	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O	3515.7	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3519.4	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3570.3	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1O	3526.9	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3555.5	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(O)[C@H](O)[C@H]2O)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	3563.0	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(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(=O)[C@H]1O	3551.6	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(O)[C@H](O)[C@H]2O)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3540.4	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O	3571.1	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)O[C@@H]2CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]1O	3578.7	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3579.6	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)O[C@@H]2CO)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O	3526.8	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)O[C@@H]2CO)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3526.6	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(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(=O)[C@H]1O	3577.8	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(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(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3576.8	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(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(O[Si](C)(C)C(C)(C)C)=C1O	3530.0	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3530.3	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(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(=O)[C@H]1O	3547.1	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(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(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3574.1	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(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(O[Si](C)(C)C(C)(C)C)=C1O	3531.2	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3553.4	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	3564.2	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3539.4	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]1O	3590.5	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3592.0	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O	3544.3	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3548.0	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3581.3	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3548.8	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)[C@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1O	3537.0	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3560.5	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	3569.2	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3545.5	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(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(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3569.4	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(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(O[Si](C)(C)C(C)(C)C)=C1O	3532.3	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3559.5	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	3565.7	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3543.4	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	3566.3	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O	3511.6	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3568.0	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O	3574.2	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3596.2	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(=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	3603.4	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1=C(O)[C@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)O[C@@H]2CO)O[C@H](CO)[C@@H]1O	3563.3	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)O[C@@H]2CO)[C@@H]1O	3556.1	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]1O	3584.8	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3589.6	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O	3553.7	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #59	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3545.2	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3512.8	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #60	CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]1CO	3588.7	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC1=C(O)[C@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H]1O[Si](C)(C)C(C)(C)C	3560.0	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)O[C@@H]1CO	3596.7	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)[C@@H]1O[Si](C)(C)C(C)(C)C	3569.7	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #64	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]1CO	3596.9	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]1O	3566.9	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #66	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3574.5	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #67	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O	3533.7	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #68	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3531.7	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #69	CC(C)(C)[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3571.5	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)[C@H]1O	3570.7	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #70	CC(C)(C)[Si](C)(C)OC1=C(O)[C@H](O[C@@H]2[C@@H](CO)OC(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]1O[Si](C)(C)C(C)(C)C	3543.6	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #71	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3585.1	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #72	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3577.8	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #73	CC(C)(C)[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3564.0	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #74	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3551.7	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #75	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1O	3525.1	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #76	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3563.2	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #77	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	3563.0	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #78	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3527.7	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #79	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3590.3	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]1O	3571.5	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #80	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)OC(O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3570.4	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #81	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]1O	3558.5	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #82	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3563.2	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #83	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O	3524.1	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #84	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3520.7	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #85	CC(C)(C)[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3575.3	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #86	CC(C)(C)[Si](C)(C)OC1=C(O)[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)O[C@@H]2CO)O[C@H](CO)[C@@H]1O[Si](C)(C)C(C)(C)C	3541.6	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #87	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)O[C@@H]2CO)O[C@@H]1CO	3582.0	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #88	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3574.1	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #89	CC(C)(C)[Si](C)(C)OC1=C(O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)O[C@@H]2CO)[C@@H]1O[Si](C)(C)C(C)(C)C	3556.0	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3577.2	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #90	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3570.8	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #91	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1O	3532.2	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #92	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3575.7	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #93	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	3571.9	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #94	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3538.9	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #95	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]2CO)O[C@@H]1CO	3595.4	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #96	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O)O[C@@H]1CO	3573.3	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #97	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H]1O[Si](C)(C)C(C)(C)C	3550.8	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #98	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1O	3519.5	Semi standard non polar	33892256
3'-Ketolactose,4TBDMS,isomer #99	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H]1O	3557.5	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Ketolactose GC-MS (Non-derivatized) - 70eV, Positive	splash10-0fk9-7695000000-fb30a2f0b8c6a92af211	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Ketolactose GC-MS (4 TMS) - 70eV, Positive	splash10-03di-5216239000-ff64c1282d277018e324	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Ketolactose GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Ketolactose GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Ketolactose GC-MS (TBDMS_3_3) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Ketolactose GC-MS (TBDMS_4_2) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Ketolactose GC-MS (TBDMS_4_12) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Ketolactose GC-MS (TBDMS_4_13) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Ketolactose GC-MS (TBDMS_4_14) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Ketolactose GC-MS (TBDMS_4_15) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Ketolactose GC-MS (TBDMS_4_46) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Ketolactose GC-MS ("3'-Ketolactose,3TBDMS,#3" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Ketolactose 10V, Positive-QTOF	splash10-03l3-0907000000-aac7c9d6393a59c63825	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Ketolactose 20V, Positive-QTOF	splash10-03e9-0901000000-118b98641ccb21651697	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Ketolactose 40V, Positive-QTOF	splash10-03di-3900000000-ac366a19f5b576ccd89b	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Ketolactose 10V, Negative-QTOF	splash10-000i-0749000000-639b020b9ecab92547ec	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Ketolactose 20V, Negative-QTOF	splash10-0200-2902000000-16568ad5afcd2468d9cd	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Ketolactose 40V, Negative-QTOF	splash10-01tc-4900000000-b7c39a8dd19cc490db4e	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Ketolactose 10V, Positive-QTOF	splash10-0006-0209000000-7b96336f00e2fe102521	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Ketolactose 20V, Positive-QTOF	splash10-01vp-2974000000-141e73664822d7f4c756	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Ketolactose 40V, Positive-QTOF	splash10-00bi-9320000000-11e667cba5546cfaf677	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Ketolactose 10V, Negative-QTOF	splash10-000i-0149000000-ddf1da8d0266696c5b80	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Ketolactose 20V, Negative-QTOF	splash10-0adr-9463000000-ef709af6dcaa7baf1007	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Ketolactose 40V, Negative-QTOF	splash10-0a4i-9100000000-c989148ac04fe207887e	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm (predicted from logP)

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

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

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022379

KNApSAcK ID

Not Available

Chemspider ID

389539

KEGG Compound ID

C05403

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

440659

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

HC01446

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Enzymes

Enzyme Details

1. Lactase-phlorizin hydrolase

General function:: Involved in hydrolase activity, hydrolyzing O-glycosyl compounds
Specific function:: LPH splits lactose in the small intestine.
Gene Name:: LCT
Uniprot ID:: P09848
Molecular weight:: 218584.77

Enzyme Details

2. Beta-galactosidase

General function:: Involved in hydrolase activity, hydrolyzing O-glycosyl compounds
Specific function:: Cleaves beta-linked terminal galactosyl residues from gangliosides, glycoproteins, and glycosaminoglycans. Isoform 2 has no beta-galactosidase catalytic activity, but plays functional roles in the formation of extracellular elastic fibers (elastogenesis) and in the development of connective tissue. Seems to be identical to the elastin-binding protein (EBP), a major component of the non-integrin cell surface receptor expressed on fibroblasts, smooth muscle cells, chondroblasts, leukocytes, and certain cancer cell types. In elastin producing cells, associates with tropoelastin intracellularly and functions as a recycling molecular chaperone which facilitates the secretions of tropoelastin and its assembly into elastic fibers.
Gene Name:: GLB1
Uniprot ID:: P16278
Molecular weight:: Not Available

Showing metabocard for 3'-Ketolactose (HMDB0001030)

MOL for HMDB0001030 (3'-Ketolactose)

3D MOL for HMDB0001030 (3'-Ketolactose)

3D SDF for HMDB0001030 (3'-Ketolactose)

3D-SDF for HMDB0001030 (3'-Ketolactose)

PDB for HMDB0001030 (3'-Ketolactose)

3D PDB for HMDB0001030 (3'-Ketolactose)

SMILES for HMDB0001030 (3'-Ketolactose)

INCHI for HMDB0001030 (3'-Ketolactose)

Structure for HMDB0001030 (3'-Ketolactose)

3D Structure for HMDB0001030 (3'-Ketolactose)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes