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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2022-09-22 18:34:12 UTC

HMDB ID

HMDB0000048

Secondary Accession Numbers

HMDB00048

Metabolite Identification

Common Name

Melibiose

Description

Melibiose (CAS: 585-99-9) is a disaccharide consisting of one galactose and one glucose moiety in an alpha (1-6) glycosidic linkage. This sugar is produced and metabolized only by enteric and lactic acid bacteria and other microbes, such as Dickeya dadantii, Escherichia, Leuconostoc, and Saccharomyces (PMID: 19734309 , 28453942 ). It is not an endogenous metabolite but may be obtained from the consumption of partially fermented molasses, brown sugar, or honey. Antibodies to melibiose will appear in individuals affected by Chagas' disease (Trypanosoma cruzi infection). Melibiose is not metabolized by humans but can be broken down by gut microflora, such as E. coli. In fact, E. coli is able to utilize melibiose as a sole source of carbon. Melibiose is first imported by the melibiose permease, MelB and then converted into β-D-glucose and β-D-galactose by the α-galactosidase encoded by melA. Because of its poor digestibility, melibiose (along with rhamnose) can be used together for noninvasive intestinal mucosa barrier testing. This test can be used to assess malabsorption or impairment of intestinal permeability. Recent studies with dietary melibiose have shown that it can strongly affect the Th cell responses to an ingested antigen. It has been suggested that melibiose could be used to enhance the induction of oral tolerance (PMID: 17986780 ).

Structure

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

HMDB0000048
     RDKit          3D
Melibiose
 45 46  0  0  0  0  0  0  0  0999 V2000
   -3.3490    2.7694   -0.5554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2159    1.9634   -0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4312    0.6490   -1.2039 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3499   -0.1776   -1.1394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1794   -0.8286    0.0708 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1367   -1.7354   -0.0936 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9099   -1.5788    0.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5878   -0.2246    0.6799 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6257   -0.2581    1.6397 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3953    0.8990    1.5341 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5229    1.9794    1.5640 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2149    0.8833    0.2492 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9869    2.0993   -0.4001 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6413   -0.2023   -0.6435 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8497   -1.4181   -0.0093 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1386    0.0165   -0.7009 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8830    1.3268   -1.1304 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3989   -1.6333    0.4697 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0815   -2.9622    0.7365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4020   -1.5135   -0.6582 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5481   -2.2614   -0.4369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7240   -0.0163   -0.7489 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0203    0.3850    0.5641 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6117    2.7768   -1.5261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9763    1.7751    0.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3894    2.5033   -0.9192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5938    0.9274   -2.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9403   -0.1492    0.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6967   -2.3176    0.4421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6851   -1.8528    1.8155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9359    0.6106    1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0366    0.9499    2.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3867    2.3036    2.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2857    0.7198    0.4792 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7343    2.7465   -0.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0903   -0.1652   -1.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6428   -1.4086    0.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897   -0.6671   -1.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0618    1.3308   -2.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8815   -1.1934    1.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9348   -3.4911   -0.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8990   -1.8560   -1.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5311   -2.7747    0.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5577    0.1529   -1.4298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8491    0.9181    0.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 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
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  8  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  6
  5 28  1  1
  7 29  1  0
  7 30  1  0
  8 31  1  1
 10 32  1  1
 11 33  1  0
 12 34  1  1
 13 35  1  0
 14 36  1  6
 15 37  1  0
 16 38  1  6
 17 39  1  0
 18 40  1  1
 19 41  1  0
 20 42  1  6
 21 43  1  0
 22 44  1  6
 23 45  1  0
M  END

  Mrv1652303182019232D          

 23 24  0  0  0  0            999 V2000
 9998.8937 9998.8296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6084 9999.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.037110000.0673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.4700 9999.2415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.0371 9996.7641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.4700 9997.5899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.463410001.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.748310001.7190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.4634 9998.0038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.0330 9998.8296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.033010000.4803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.463410000.4796    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9996.749010000.0671    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9996.7490 9999.2421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.4634 9998.8297    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.1778 9999.2421    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.177810000.0671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.0385 9999.2414    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.3241 9998.8289    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.3241 9998.0039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.0385 9997.5915    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.7530 9998.0039    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.7530 9998.8289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 12 17  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16  1  1  6  0  0  0
 12  7  1  1  0  0  0
 13 11  1  1  0  0  0
 14 10  1  1  0  0  0
 15  9  1  6  0  0  0
 19  2  1  6  0  0  0
 18  3  1  1  0  0  0
 23  4  1  6  0  0  0
 22  6  1  1  0  0  0
 21  5  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0000048

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+/m1/s1

> <INCHI_KEY>
DLRVVLDZNNYCBX-CQHUIXDMSA-N

> <FORMULA>
C12H22O11

> <MOLECULAR_WEIGHT>
342.2965

> <EXACT_MASS>
342.116211546

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
31.18665169443941

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-3.00

> <JCHEM_LOGP>
-4.703374863666666

> <ALOGPS_LOGS>
0.17

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.133081366054801

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.248198780146973

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083422322401

> <JCHEM_POLAR_SURFACE_AREA>
189.52999999999997

> <JCHEM_REFRACTIVITY>
68.3367

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.11e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5S,6R)-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000048
     RDKit          3D
Melibiose
 45 46  0  0  0  0  0  0  0  0999 V2000
   -3.3490    2.7694   -0.5554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2159    1.9634   -0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4312    0.6490   -1.2039 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3499   -0.1776   -1.1394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1794   -0.8286    0.0708 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1367   -1.7354   -0.0936 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9099   -1.5788    0.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5878   -0.2246    0.6799 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6257   -0.2581    1.6397 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3953    0.8990    1.5341 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5229    1.9794    1.5640 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2149    0.8833    0.2492 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9869    2.0993   -0.4001 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6413   -0.2023   -0.6435 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8497   -1.4181   -0.0093 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1386    0.0165   -0.7009 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8830    1.3268   -1.1304 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3989   -1.6333    0.4697 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0815   -2.9622    0.7365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4020   -1.5135   -0.6582 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5481   -2.2614   -0.4369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7240   -0.0163   -0.7489 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0203    0.3850    0.5641 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6117    2.7768   -1.5261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9763    1.7751    0.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3894    2.5033   -0.9192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5938    0.9274   -2.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9403   -0.1492    0.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6967   -2.3176    0.4421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6851   -1.8528    1.8155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9359    0.6106    1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0366    0.9499    2.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3867    2.3036    2.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2857    0.7198    0.4792 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7343    2.7465   -0.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0903   -0.1652   -1.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6428   -1.4086    0.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897   -0.6671   -1.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0618    1.3308   -2.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8815   -1.1934    1.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9348   -3.4911   -0.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8990   -1.8560   -1.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5311   -2.7747    0.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5577    0.1529   -1.4298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8491    0.9181    0.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 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
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  8  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  6
  5 28  1  1
  7 29  1  0
  7 30  1  0
  8 31  1  1
 10 32  1  1
 11 33  1  0
 12 34  1  1
 13 35  1  0
 14 36  1  6
 15 37  1  0
 16 38  1  6
 17 39  1  0
 18 40  1  1
 19 41  1  0
 20 42  1  6
 21 43  1  0
 22 44  1  6
 23 45  1  0
M  END

HEADER    PROTEIN                                 18-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   18-MAR-20         0                                  
HETATM    1  O   UNK     0    8664.6028664.482   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0    8665.9368665.251   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0    8668.6038666.792   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8671.2778665.251   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8668.6038660.626   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8671.2778662.168   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0    8661.9328669.105   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0    8660.5978669.875   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8661.9328662.940   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8659.2628664.482   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    8659.2628667.563   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0    8661.9328667.562   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8660.5988666.792   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8660.5988665.252   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8661.9328664.482   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8663.2658665.252   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0    8663.2658666.792   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0    8668.6058665.251   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8667.2728664.481   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0    8667.2728662.941   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0    8668.6058662.171   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8669.9398662.941   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8669.9398664.481   0.000  0.00  0.00           C+0
CONECT    1    2   16                                                       
CONECT    2    1   19                                                       
CONECT    3   18                                                            
CONECT    4   23                                                            
CONECT    5   21                                                            
CONECT    6   22                                                            
CONECT    7    8   12                                                       
CONECT    8    7                                                            
CONECT    9   15                                                            
CONECT   10   14                                                            
CONECT   11   13                                                            
CONECT   12   13   17    7                                                  
CONECT   13   12   14   11                                                  
CONECT   14   13   15   10                                                  
CONECT   15   14   16    9                                                  
CONECT   16   15   17    1                                                  
CONECT   17   12   16                                                       
CONECT   18   19   23    3                                                  
CONECT   19   18   20    2                                                  
CONECT   20   19   21                                                       
CONECT   21   22   20    5                                                  
CONECT   22   21   23    6                                                  
CONECT   23   18   22    4                                                  
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

COMPND    HMDB0000048
HETATM    1  O1  UNL     1      -3.349   2.769  -0.555  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.216   1.963  -0.458  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.431   0.649  -1.204  1.00  0.00           C  
HETATM    4  O2  UNL     1      -1.350  -0.178  -1.139  1.00  0.00           O  
HETATM    5  C3  UNL     1      -1.179  -0.829   0.071  1.00  0.00           C  
HETATM    6  O3  UNL     1      -0.137  -1.735  -0.094  1.00  0.00           O  
HETATM    7  C4  UNL     1       0.910  -1.579   0.776  1.00  0.00           C  
HETATM    8  C5  UNL     1       1.588  -0.225   0.680  1.00  0.00           C  
HETATM    9  O4  UNL     1       2.626  -0.258   1.640  1.00  0.00           O  
HETATM   10  C6  UNL     1       3.395   0.899   1.534  1.00  0.00           C  
HETATM   11  O5  UNL     1       2.523   1.979   1.564  1.00  0.00           O  
HETATM   12  C7  UNL     1       4.215   0.883   0.249  1.00  0.00           C  
HETATM   13  O6  UNL     1       3.987   2.099  -0.400  1.00  0.00           O  
HETATM   14  C8  UNL     1       3.641  -0.202  -0.644  1.00  0.00           C  
HETATM   15  O7  UNL     1       3.850  -1.418  -0.009  1.00  0.00           O  
HETATM   16  C9  UNL     1       2.139   0.016  -0.701  1.00  0.00           C  
HETATM   17  O8  UNL     1       1.883   1.327  -1.130  1.00  0.00           O  
HETATM   18  C10 UNL     1      -2.399  -1.633   0.470  1.00  0.00           C  
HETATM   19  O9  UNL     1      -2.082  -2.962   0.737  1.00  0.00           O  
HETATM   20  C11 UNL     1      -3.402  -1.513  -0.658  1.00  0.00           C  
HETATM   21  O10 UNL     1      -4.548  -2.261  -0.437  1.00  0.00           O  
HETATM   22  C12 UNL     1      -3.724  -0.016  -0.749  1.00  0.00           C  
HETATM   23  O11 UNL     1      -4.020   0.385   0.564  1.00  0.00           O  
HETATM   24  H1  UNL     1      -3.612   2.777  -1.526  1.00  0.00           H  
HETATM   25  H2  UNL     1      -1.976   1.775   0.618  1.00  0.00           H  
HETATM   26  H3  UNL     1      -1.389   2.503  -0.919  1.00  0.00           H  
HETATM   27  H4  UNL     1      -2.594   0.927  -2.267  1.00  0.00           H  
HETATM   28  H5  UNL     1      -0.940  -0.149   0.901  1.00  0.00           H  
HETATM   29  H6  UNL     1       1.697  -2.318   0.442  1.00  0.00           H  
HETATM   30  H7  UNL     1       0.685  -1.853   1.816  1.00  0.00           H  
HETATM   31  H8  UNL     1       0.936   0.611   1.005  1.00  0.00           H  
HETATM   32  H9  UNL     1       4.037   0.950   2.436  1.00  0.00           H  
HETATM   33  H10 UNL     1       2.387   2.304   2.495  1.00  0.00           H  
HETATM   34  H11 UNL     1       5.286   0.720   0.479  1.00  0.00           H  
HETATM   35  H12 UNL     1       4.734   2.746  -0.214  1.00  0.00           H  
HETATM   36  H13 UNL     1       4.090  -0.165  -1.661  1.00  0.00           H  
HETATM   37  H14 UNL     1       4.643  -1.409   0.590  1.00  0.00           H  
HETATM   38  H15 UNL     1       1.690  -0.667  -1.464  1.00  0.00           H  
HETATM   39  H16 UNL     1       2.062   1.331  -2.109  1.00  0.00           H  
HETATM   40  H17 UNL     1      -2.881  -1.193   1.367  1.00  0.00           H  
HETATM   41  H18 UNL     1      -1.935  -3.491  -0.093  1.00  0.00           H  
HETATM   42  H19 UNL     1      -2.899  -1.856  -1.589  1.00  0.00           H  
HETATM   43  H20 UNL     1      -4.531  -2.775   0.407  1.00  0.00           H  
HETATM   44  H21 UNL     1      -4.558   0.153  -1.430  1.00  0.00           H  
HETATM   45  H22 UNL     1      -4.849   0.918   0.610  1.00  0.00           H  
CONECT    1    2   24
CONECT    2    3   25   26
CONECT    3    4   22   27
CONECT    4    5
CONECT    5    6   18   28
CONECT    6    7
CONECT    7    8   29   30
CONECT    8    9   16   31
CONECT    9   10
CONECT   10   11   12   32
CONECT   11   33
CONECT   12   13   14   34
CONECT   13   35
CONECT   14   15   16   36
CONECT   15   37
CONECT   16   17   38
CONECT   17   39
CONECT   18   19   20   40
CONECT   19   41
CONECT   20   21   22   42
CONECT   21   43
CONECT   22   23   44
CONECT   23   45
END

HMDB0000048
     RDKit          3D
Melibiose
 45 46  0  0  0  0  0  0  0  0999 V2000
   -3.3490    2.7694   -0.5554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2159    1.9634   -0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4312    0.6490   -1.2039 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3499   -0.1776   -1.1394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1794   -0.8286    0.0708 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1367   -1.7354   -0.0936 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9099   -1.5788    0.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5878   -0.2246    0.6799 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6257   -0.2581    1.6397 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3953    0.8990    1.5341 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5229    1.9794    1.5640 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2149    0.8833    0.2492 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9869    2.0993   -0.4001 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6413   -0.2023   -0.6435 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8497   -1.4181   -0.0093 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1386    0.0165   -0.7009 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8830    1.3268   -1.1304 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3989   -1.6333    0.4697 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0815   -2.9622    0.7365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4020   -1.5135   -0.6582 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5481   -2.2614   -0.4369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7240   -0.0163   -0.7489 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0203    0.3850    0.5641 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6117    2.7768   -1.5261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9763    1.7751    0.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3894    2.5033   -0.9192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5938    0.9274   -2.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9403   -0.1492    0.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6967   -2.3176    0.4421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6851   -1.8528    1.8155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9359    0.6106    1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0366    0.9499    2.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3867    2.3036    2.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2857    0.7198    0.4792 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7343    2.7465   -0.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0903   -0.1652   -1.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6428   -1.4086    0.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897   -0.6671   -1.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0618    1.3308   -2.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8815   -1.1934    1.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9348   -3.4911   -0.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8990   -1.8560   -1.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5311   -2.7747    0.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5577    0.1529   -1.4298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8491    0.9181    0.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 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
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  8  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  6
  5 28  1  1
  7 29  1  0
  7 30  1  0
  8 31  1  1
 10 32  1  1
 11 33  1  0
 12 34  1  1
 13 35  1  0
 14 36  1  6
 15 37  1  0
 16 38  1  6
 17 39  1  0
 18 40  1  1
 19 41  1  0
 20 42  1  6
 21 43  1  0
 22 44  1  6
 23 45  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
6-O-alpha-D-Galactopyranosyl-D-glucose	HMDB
6-O-alpha-D-Galactopyranosyl-alpha-D-glucopyranose	HMDB
6-O-Α-D-galactopyranosyl-D-glucose	HMDB
6-O-Α-D-galactopyranosyl-α-D-glucopyranose	HMDB
D-(+)-Melibiose	HMDB
D-Melibiose	HMDB
alpha-D-Melibiose	HMDB
alpha-Melibiose	HMDB
Α-D-melibiose	HMDB
Α-melibiose	HMDB
Melibiose	HMDB

Chemical Formula

C₁₂H₂₂O₁₁

Average Molecular Weight

342.2965

Monoisotopic Molecular Weight

342.116211546

IUPAC Name

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

Traditional Name

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

CAS Registry Number

13299-20-2

SMILES

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

InChI Identifier

InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+/m1/s1

InChI Key

DLRVVLDZNNYCBX-CQHUIXDMSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

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

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Spleen (HMDB: HMDB0000048)

Excreta

Biofluid or Excreta

Urine (PMID: 10585631)

Cellular substructure

Extracellular (HMDB: HMDB0000048)

Source

Exogenous

Exogenous (HMDB: HMDB0000048)

Food

Beverage

Fermented beverage

Beer (FooDB: FOOD00268)

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)

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)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Other soy product (FooDB: FOOD00271)

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)

Coffee and coffee product

Coffee

Arabica coffee (FooDB: FOOD00059)
Robusta coffee (FooDB: FOOD00060)

Coffee and coffee products (FooDB: FOOD00861)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Galactose Metabolism (PathBank: SMP0000841)
Inner Membrane Transport (PathBank: SMP0121270)

Disease pathway

Galactosemia (PathBank: SMP0120479)

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	84 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	1000 mg/mL	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	Baker	172.633	30932474
[M-H]-	Not Available	172.5	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000369
[M+H]+	Not Available	180.2	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000369

Predicted Molecular Properties

Property	Value	Source
Water Solubility	511 g/L	ALOGPS
logP	-3	ALOGPS
logP	-4.7	ChemAxon
logS	0.17	ALOGPS
pKa (Strongest Acidic)	11.25	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	189.53 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	68.34 m³·mol⁻¹	ChemAxon
Polarizability	31.19 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
DeepCCS	[M+H]+	174.312	30932474
DeepCCS	[M-H]-	172.268	30932474
DeepCCS	[M-2H]-	205.857	30932474
DeepCCS	[M+Na]+	180.093	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Melibiose	OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	4209.9	Standard polar	33892256
Melibiose	OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	3218.2	Standard non polar	33892256
Melibiose	OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	2977.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Melibiose,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	2842.9	Semi standard non polar	33892256
Melibiose,1TMS,isomer #2	C[Si](C)(C)O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O	2854.7	Semi standard non polar	33892256
Melibiose,1TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	2850.7	Semi standard non polar	33892256
Melibiose,1TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O	2843.7	Semi standard non polar	33892256
Melibiose,1TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H](O)[C@H](O)[C@H]1O	2850.4	Semi standard non polar	33892256
Melibiose,1TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O	2841.0	Semi standard non polar	33892256
Melibiose,1TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	2839.2	Semi standard non polar	33892256
Melibiose,1TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	2836.7	Semi standard non polar	33892256
Melibiose,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	2847.1	Semi standard non polar	33892256
Melibiose,2TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O	2828.0	Semi standard non polar	33892256
Melibiose,2TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2838.7	Semi standard non polar	33892256
Melibiose,2TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H](O[Si](C)(C)C)[C@@H]1O	2820.7	Semi standard non polar	33892256
Melibiose,2TMS,isomer #13	C[Si](C)(C)O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2816.8	Semi standard non polar	33892256
Melibiose,2TMS,isomer #14	C[Si](C)(C)O[C@H]1[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	2822.7	Semi standard non polar	33892256
Melibiose,2TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@@H]1O	2811.4	Semi standard non polar	33892256
Melibiose,2TMS,isomer #16	C[Si](C)(C)O[C@H]1[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2820.4	Semi standard non polar	33892256
Melibiose,2TMS,isomer #17	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2827.8	Semi standard non polar	33892256
Melibiose,2TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O	2812.7	Semi standard non polar	33892256
Melibiose,2TMS,isomer #19	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H]1O	2812.4	Semi standard non polar	33892256
Melibiose,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	2833.0	Semi standard non polar	33892256
Melibiose,2TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O	2803.4	Semi standard non polar	33892256
Melibiose,2TMS,isomer #21	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1O	2812.1	Semi standard non polar	33892256
Melibiose,2TMS,isomer #22	C[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2820.8	Semi standard non polar	33892256
Melibiose,2TMS,isomer #23	C[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@H](O)[C@H](O)[C@H]1O	2818.6	Semi standard non polar	33892256
Melibiose,2TMS,isomer #24	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@@H]1O	2808.8	Semi standard non polar	33892256
Melibiose,2TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](O)[C@H](O)[C@H]1O	2823.8	Semi standard non polar	33892256
Melibiose,2TMS,isomer #26	C[Si](C)(C)O[C@H]1[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O	2812.6	Semi standard non polar	33892256
Melibiose,2TMS,isomer #27	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	2816.2	Semi standard non polar	33892256
Melibiose,2TMS,isomer #28	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	2812.5	Semi standard non polar	33892256
Melibiose,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	2822.5	Semi standard non polar	33892256
Melibiose,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	2831.6	Semi standard non polar	33892256
Melibiose,2TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2830.0	Semi standard non polar	33892256
Melibiose,2TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2827.4	Semi standard non polar	33892256
Melibiose,2TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2846.0	Semi standard non polar	33892256
Melibiose,2TMS,isomer #8	C[Si](C)(C)O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O	2827.5	Semi standard non polar	33892256
Melibiose,2TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	2814.6	Semi standard non polar	33892256
Melibiose,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	2726.3	Semi standard non polar	33892256
Melibiose,3TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2716.2	Semi standard non polar	33892256
Melibiose,3TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2735.4	Semi standard non polar	33892256
Melibiose,3TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	2725.1	Semi standard non polar	33892256
Melibiose,3TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2707.5	Semi standard non polar	33892256
Melibiose,3TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2702.1	Semi standard non polar	33892256
Melibiose,3TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2717.9	Semi standard non polar	33892256
Melibiose,3TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2724.7	Semi standard non polar	33892256
Melibiose,3TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2712.0	Semi standard non polar	33892256
Melibiose,3TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2742.3	Semi standard non polar	33892256
Melibiose,3TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2721.4	Semi standard non polar	33892256
Melibiose,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	2716.7	Semi standard non polar	33892256
Melibiose,3TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2748.0	Semi standard non polar	33892256
Melibiose,3TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2727.8	Semi standard non polar	33892256
Melibiose,3TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	2732.3	Semi standard non polar	33892256
Melibiose,3TMS,isomer #23	C[Si](C)(C)O[C@H]1[C@@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O	2731.4	Semi standard non polar	33892256
Melibiose,3TMS,isomer #24	C[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2758.6	Semi standard non polar	33892256
Melibiose,3TMS,isomer #25	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@H](O[Si](C)(C)C)[C@@H]1O	2742.3	Semi standard non polar	33892256
Melibiose,3TMS,isomer #26	C[Si](C)(C)O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2751.8	Semi standard non polar	33892256
Melibiose,3TMS,isomer #27	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@@H]1O	2731.3	Semi standard non polar	33892256
Melibiose,3TMS,isomer #28	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O	2720.3	Semi standard non polar	33892256
Melibiose,3TMS,isomer #29	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@@H]1O	2739.7	Semi standard non polar	33892256
Melibiose,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	2745.0	Semi standard non polar	33892256
Melibiose,3TMS,isomer #30	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	2726.6	Semi standard non polar	33892256
Melibiose,3TMS,isomer #31	C[Si](C)(C)O[C@H]1[C@@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O	2735.6	Semi standard non polar	33892256
Melibiose,3TMS,isomer #32	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](O[Si](C)(C)C)[C@@H]1O	2722.7	Semi standard non polar	33892256
Melibiose,3TMS,isomer #33	C[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2748.5	Semi standard non polar	33892256
Melibiose,3TMS,isomer #34	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2740.1	Semi standard non polar	33892256
Melibiose,3TMS,isomer #35	C[Si](C)(C)O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2735.8	Semi standard non polar	33892256
Melibiose,3TMS,isomer #36	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2735.3	Semi standard non polar	33892256
Melibiose,3TMS,isomer #37	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	2751.8	Semi standard non polar	33892256
Melibiose,3TMS,isomer #38	C[Si](C)(C)O[C@H]1[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2752.0	Semi standard non polar	33892256
Melibiose,3TMS,isomer #39	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2762.2	Semi standard non polar	33892256
Melibiose,3TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2732.8	Semi standard non polar	33892256
Melibiose,3TMS,isomer #40	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H]1O	2763.2	Semi standard non polar	33892256
Melibiose,3TMS,isomer #41	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O	2741.9	Semi standard non polar	33892256
Melibiose,3TMS,isomer #42	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2746.6	Semi standard non polar	33892256
Melibiose,3TMS,isomer #43	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	2751.1	Semi standard non polar	33892256
Melibiose,3TMS,isomer #44	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2753.6	Semi standard non polar	33892256
Melibiose,3TMS,isomer #45	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1O	2742.4	Semi standard non polar	33892256
Melibiose,3TMS,isomer #46	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O[Si](C)(C)C	2744.4	Semi standard non polar	33892256
Melibiose,3TMS,isomer #47	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1O	2736.0	Semi standard non polar	33892256
Melibiose,3TMS,isomer #48	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1O	2733.6	Semi standard non polar	33892256
Melibiose,3TMS,isomer #49	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	2743.6	Semi standard non polar	33892256
Melibiose,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2714.9	Semi standard non polar	33892256
Melibiose,3TMS,isomer #50	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O	2730.2	Semi standard non polar	33892256
Melibiose,3TMS,isomer #51	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O[Si](C)(C)C	2734.9	Semi standard non polar	33892256
Melibiose,3TMS,isomer #52	C[Si](C)(C)O[C@H]1[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O	2734.4	Semi standard non polar	33892256
Melibiose,3TMS,isomer #53	C[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@H](O)[C@H](O)[C@H]1O	2730.5	Semi standard non polar	33892256
Melibiose,3TMS,isomer #54	C[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](O)[C@H](O)[C@H]1O	2731.8	Semi standard non polar	33892256
Melibiose,3TMS,isomer #55	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2730.2	Semi standard non polar	33892256
Melibiose,3TMS,isomer #56	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H]1CO	2734.1	Semi standard non polar	33892256
Melibiose,3TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2750.9	Semi standard non polar	33892256
Melibiose,3TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	2716.1	Semi standard non polar	33892256
Melibiose,3TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	2735.8	Semi standard non polar	33892256
Melibiose,3TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2723.4	Semi standard non polar	33892256
Melibiose,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	2688.0	Semi standard non polar	33892256
Melibiose,4TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2670.3	Semi standard non polar	33892256
Melibiose,4TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2662.5	Semi standard non polar	33892256
Melibiose,4TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2685.7	Semi standard non polar	33892256
Melibiose,4TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2674.6	Semi standard non polar	33892256
Melibiose,4TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2683.7	Semi standard non polar	33892256
Melibiose,4TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2678.8	Semi standard non polar	33892256
Melibiose,4TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	2702.8	Semi standard non polar	33892256
Melibiose,4TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2681.1	Semi standard non polar	33892256
Melibiose,4TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2694.3	Semi standard non polar	33892256
Melibiose,4TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2686.6	Semi standard non polar	33892256
Melibiose,4TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	2689.0	Semi standard non polar	33892256
Melibiose,4TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2687.1	Semi standard non polar	33892256
Melibiose,4TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2695.8	Semi standard non polar	33892256
Melibiose,4TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2697.4	Semi standard non polar	33892256
Melibiose,4TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2699.6	Semi standard non polar	33892256
Melibiose,4TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2706.2	Semi standard non polar	33892256
Melibiose,4TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2694.3	Semi standard non polar	33892256
Melibiose,4TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2666.7	Semi standard non polar	33892256
Melibiose,4TMS,isomer #27	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2664.4	Semi standard non polar	33892256
Melibiose,4TMS,isomer #28	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2680.7	Semi standard non polar	33892256
Melibiose,4TMS,isomer #29	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2678.1	Semi standard non polar	33892256
Melibiose,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2670.3	Semi standard non polar	33892256
Melibiose,4TMS,isomer #30	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2684.4	Semi standard non polar	33892256
Melibiose,4TMS,isomer #31	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2675.6	Semi standard non polar	33892256
Melibiose,4TMS,isomer #32	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2676.1	Semi standard non polar	33892256
Melibiose,4TMS,isomer #33	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2685.0	Semi standard non polar	33892256
Melibiose,4TMS,isomer #34	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2675.1	Semi standard non polar	33892256
Melibiose,4TMS,isomer #35	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2724.8	Semi standard non polar	33892256
Melibiose,4TMS,isomer #36	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	2698.1	Semi standard non polar	33892256
Melibiose,4TMS,isomer #37	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@H](O[Si](C)(C)C)[C@@H]1O	2699.4	Semi standard non polar	33892256
Melibiose,4TMS,isomer #38	C[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2686.8	Semi standard non polar	33892256
Melibiose,4TMS,isomer #39	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H]1CO	2692.0	Semi standard non polar	33892256
Melibiose,4TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2665.3	Semi standard non polar	33892256
Melibiose,4TMS,isomer #40	C[Si](C)(C)O[C@H]1[C@@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O	2683.6	Semi standard non polar	33892256
Melibiose,4TMS,isomer #41	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](O[Si](C)(C)C)[C@@H]1O	2682.3	Semi standard non polar	33892256
Melibiose,4TMS,isomer #42	C[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2677.1	Semi standard non polar	33892256
Melibiose,4TMS,isomer #43	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2703.5	Semi standard non polar	33892256
Melibiose,4TMS,isomer #44	C[Si](C)(C)O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2704.1	Semi standard non polar	33892256
Melibiose,4TMS,isomer #45	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2712.7	Semi standard non polar	33892256
Melibiose,4TMS,isomer #46	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O	2714.5	Semi standard non polar	33892256
Melibiose,4TMS,isomer #47	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2702.8	Semi standard non polar	33892256
Melibiose,4TMS,isomer #48	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	2698.8	Semi standard non polar	33892256
Melibiose,4TMS,isomer #49	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O	2709.1	Semi standard non polar	33892256
Melibiose,4TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2687.5	Semi standard non polar	33892256
Melibiose,4TMS,isomer #50	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O[Si](C)(C)C	2696.3	Semi standard non polar	33892256
Melibiose,4TMS,isomer #51	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2690.0	Semi standard non polar	33892256
Melibiose,4TMS,isomer #52	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2695.3	Semi standard non polar	33892256
Melibiose,4TMS,isomer #53	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2685.3	Semi standard non polar	33892256
Melibiose,4TMS,isomer #54	C[Si](C)(C)O[C@H]1[C@@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O	2679.0	Semi standard non polar	33892256
Melibiose,4TMS,isomer #55	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2728.9	Semi standard non polar	33892256
Melibiose,4TMS,isomer #56	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1O	2741.1	Semi standard non polar	33892256
Melibiose,4TMS,isomer #57	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2726.5	Semi standard non polar	33892256
Melibiose,4TMS,isomer #58	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)O[C@@H]1CO	2725.9	Semi standard non polar	33892256
Melibiose,4TMS,isomer #59	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2709.9	Semi standard non polar	33892256
Melibiose,4TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	2683.3	Semi standard non polar	33892256
Melibiose,4TMS,isomer #60	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1O	2719.7	Semi standard non polar	33892256
Melibiose,4TMS,isomer #61	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H]1O[Si](C)(C)C	2721.9	Semi standard non polar	33892256
Melibiose,4TMS,isomer #62	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O	2728.7	Semi standard non polar	33892256
Melibiose,4TMS,isomer #63	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O[Si](C)(C)C	2743.8	Semi standard non polar	33892256
Melibiose,4TMS,isomer #64	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2724.6	Semi standard non polar	33892256
Melibiose,4TMS,isomer #65	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2704.6	Semi standard non polar	33892256
Melibiose,4TMS,isomer #66	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H]1CO	2706.5	Semi standard non polar	33892256
Melibiose,4TMS,isomer #67	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2693.9	Semi standard non polar	33892256
Melibiose,4TMS,isomer #68	C[Si](C)(C)O[C@H]1[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O	2681.2	Semi standard non polar	33892256
Melibiose,4TMS,isomer #69	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2698.0	Semi standard non polar	33892256
Melibiose,4TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2651.8	Semi standard non polar	33892256
Melibiose,4TMS,isomer #70	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H]1CO	2705.5	Semi standard non polar	33892256
Melibiose,4TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2667.8	Semi standard non polar	33892256
Melibiose,4TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2666.4	Semi standard non polar	33892256
Melibiose,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	2723.8	Semi standard non polar	33892256
Melibiose,5TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2697.5	Semi standard non polar	33892256
Melibiose,5TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2682.3	Semi standard non polar	33892256
Melibiose,5TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2693.7	Semi standard non polar	33892256
Melibiose,5TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2698.5	Semi standard non polar	33892256
Melibiose,5TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2695.6	Semi standard non polar	33892256
Melibiose,5TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2705.2	Semi standard non polar	33892256
Melibiose,5TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2695.9	Semi standard non polar	33892256
Melibiose,5TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2692.8	Semi standard non polar	33892256
Melibiose,5TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2692.2	Semi standard non polar	33892256
Melibiose,5TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2693.1	Semi standard non polar	33892256
Melibiose,5TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2691.4	Semi standard non polar	33892256
Melibiose,5TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2708.2	Semi standard non polar	33892256
Melibiose,5TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2708.5	Semi standard non polar	33892256
Melibiose,5TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2717.4	Semi standard non polar	33892256
Melibiose,5TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2722.1	Semi standard non polar	33892256
Melibiose,5TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2725.1	Semi standard non polar	33892256
Melibiose,5TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2729.7	Semi standard non polar	33892256
Melibiose,5TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2722.3	Semi standard non polar	33892256
Melibiose,5TMS,isomer #27	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2728.3	Semi standard non polar	33892256
Melibiose,5TMS,isomer #28	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2740.8	Semi standard non polar	33892256
Melibiose,5TMS,isomer #29	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2727.2	Semi standard non polar	33892256
Melibiose,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2698.2	Semi standard non polar	33892256
Melibiose,5TMS,isomer #30	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2742.6	Semi standard non polar	33892256
Melibiose,5TMS,isomer #31	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2707.0	Semi standard non polar	33892256
Melibiose,5TMS,isomer #32	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2709.6	Semi standard non polar	33892256
Melibiose,5TMS,isomer #33	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2705.5	Semi standard non polar	33892256
Melibiose,5TMS,isomer #34	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2728.3	Semi standard non polar	33892256
Melibiose,5TMS,isomer #35	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2726.9	Semi standard non polar	33892256
Melibiose,5TMS,isomer #36	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2737.4	Semi standard non polar	33892256
Melibiose,5TMS,isomer #37	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2729.4	Semi standard non polar	33892256
Melibiose,5TMS,isomer #38	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)O[C@@H]1CO	2726.7	Semi standard non polar	33892256
Melibiose,5TMS,isomer #39	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2729.1	Semi standard non polar	33892256
Melibiose,5TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2706.7	Semi standard non polar	33892256
Melibiose,5TMS,isomer #40	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H]1CO	2731.9	Semi standard non polar	33892256
Melibiose,5TMS,isomer #41	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H]1CO	2728.7	Semi standard non polar	33892256
Melibiose,5TMS,isomer #42	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2715.8	Semi standard non polar	33892256
Melibiose,5TMS,isomer #43	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2705.4	Semi standard non polar	33892256
Melibiose,5TMS,isomer #44	C[Si](C)(C)O[C@H]1[C@@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O	2702.6	Semi standard non polar	33892256
Melibiose,5TMS,isomer #45	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2750.4	Semi standard non polar	33892256
Melibiose,5TMS,isomer #46	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O	2749.9	Semi standard non polar	33892256
Melibiose,5TMS,isomer #47	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O[Si](C)(C)C	2734.9	Semi standard non polar	33892256
Melibiose,5TMS,isomer #48	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2724.8	Semi standard non polar	33892256
Melibiose,5TMS,isomer #49	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2723.8	Semi standard non polar	33892256
Melibiose,5TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2685.1	Semi standard non polar	33892256
Melibiose,5TMS,isomer #50	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2732.4	Semi standard non polar	33892256
Melibiose,5TMS,isomer #51	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H]1CO	2748.1	Semi standard non polar	33892256
Melibiose,5TMS,isomer #52	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1O[Si](C)(C)C	2742.6	Semi standard non polar	33892256
Melibiose,5TMS,isomer #53	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2752.8	Semi standard non polar	33892256
Melibiose,5TMS,isomer #54	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2726.1	Semi standard non polar	33892256
Melibiose,5TMS,isomer #55	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2741.7	Semi standard non polar	33892256
Melibiose,5TMS,isomer #56	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@@H]1CO	2738.4	Semi standard non polar	33892256
Melibiose,5TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2699.2	Semi standard non polar	33892256
Melibiose,5TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2699.7	Semi standard non polar	33892256
Melibiose,5TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2697.9	Semi standard non polar	33892256
Melibiose,5TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2693.1	Semi standard non polar	33892256
Melibiose,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2728.8	Semi standard non polar	33892256
Melibiose,6TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2736.6	Semi standard non polar	33892256
Melibiose,6TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2711.6	Semi standard non polar	33892256
Melibiose,6TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2720.0	Semi standard non polar	33892256
Melibiose,6TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2716.0	Semi standard non polar	33892256
Melibiose,6TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2732.3	Semi standard non polar	33892256
Melibiose,6TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2736.9	Semi standard non polar	33892256
Melibiose,6TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2729.4	Semi standard non polar	33892256
Melibiose,6TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2739.9	Semi standard non polar	33892256
Melibiose,6TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2734.3	Semi standard non polar	33892256
Melibiose,6TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2745.0	Semi standard non polar	33892256
Melibiose,6TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2730.2	Semi standard non polar	33892256
Melibiose,6TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2754.0	Semi standard non polar	33892256
Melibiose,6TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2748.8	Semi standard non polar	33892256
Melibiose,6TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2752.8	Semi standard non polar	33892256
Melibiose,6TMS,isomer #23	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H]1CO	2746.6	Semi standard non polar	33892256
Melibiose,6TMS,isomer #24	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H]1CO	2739.0	Semi standard non polar	33892256
Melibiose,6TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@@H]1CO	2734.8	Semi standard non polar	33892256
Melibiose,6TMS,isomer #26	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2742.7	Semi standard non polar	33892256
Melibiose,6TMS,isomer #27	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2752.2	Semi standard non polar	33892256
Melibiose,6TMS,isomer #28	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@@H]1CO	2756.8	Semi standard non polar	33892256
Melibiose,6TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2745.2	Semi standard non polar	33892256
Melibiose,6TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2717.6	Semi standard non polar	33892256
Melibiose,6TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2724.5	Semi standard non polar	33892256
Melibiose,6TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2721.3	Semi standard non polar	33892256
Melibiose,6TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2716.4	Semi standard non polar	33892256
Melibiose,6TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2726.6	Semi standard non polar	33892256
Melibiose,6TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2721.1	Semi standard non polar	33892256
Melibiose,7TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2759.6	Semi standard non polar	33892256
Melibiose,7TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2769.4	Semi standard non polar	33892256
Melibiose,7TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2766.5	Semi standard non polar	33892256
Melibiose,7TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2767.7	Semi standard non polar	33892256
Melibiose,7TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2768.6	Semi standard non polar	33892256
Melibiose,7TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2767.3	Semi standard non polar	33892256
Melibiose,7TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2775.6	Semi standard non polar	33892256
Melibiose,7TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OC[C@H]2O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@@H]1CO	2767.8	Semi standard non polar	33892256
Melibiose,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	3091.1	Semi standard non polar	33892256
Melibiose,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O	3079.5	Semi standard non polar	33892256
Melibiose,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	3096.4	Semi standard non polar	33892256
Melibiose,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O	3090.2	Semi standard non polar	33892256
Melibiose,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H](O)[C@H](O)[C@H]1O	3084.6	Semi standard non polar	33892256
Melibiose,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O	3079.4	Semi standard non polar	33892256
Melibiose,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	3075.7	Semi standard non polar	33892256
Melibiose,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	3089.2	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	3267.7	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O	3284.9	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3292.2	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3274.1	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3273.5	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	3310.2	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@@H]1O	3290.0	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3301.0	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3286.7	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O	3284.8	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H]1O	3295.3	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	3291.7	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@@H]1O	3279.2	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1O	3287.9	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3282.5	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@H](O)[C@H](O)[C@H]1O	3290.5	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	3274.0	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](O)[C@H](O)[C@H]1O	3283.4	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3279.5	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	3293.3	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3279.4	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	3271.3	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	3262.8	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3284.9	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3272.0	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3294.4	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O	3292.1	Semi standard non polar	33892256
Melibiose,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	3274.3	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	3419.3	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3436.2	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3453.3	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	3412.3	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3430.2	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3418.8	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3430.8	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3422.6	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3406.2	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3426.5	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3447.1	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	3405.5	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3446.6	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3440.1	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3439.1	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3435.9	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3449.9	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3444.1	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3459.6	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@@H]1O	3444.5	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@@H]1O	3439.0	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	3438.4	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	3415.1	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	3453.5	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O	3458.2	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3446.1	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3454.7	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3435.7	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3444.4	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3451.9	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3462.3	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3460.8	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3464.1	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3431.7	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H]1O	3469.6	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@@H]1O	3460.0	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3456.8	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	3478.4	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3462.3	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1O	3467.3	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O[Si](C)(C)C(C)(C)C	3457.8	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H]1O	3436.6	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1O	3436.8	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3445.4	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3414.7	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	3431.8	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	3456.1	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O	3445.9	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](O)[C@H](O)[C@H]1O	3429.2	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](O)[C@H](O)[C@H]1O	3425.5	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3449.0	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H]1CO	3455.7	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3432.6	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	3427.6	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	3422.1	Semi standard non polar	33892256
Melibiose,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3452.6	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	3555.6	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3563.0	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3559.5	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3565.5	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3569.5	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3574.9	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3568.6	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	3565.2	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3588.0	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3587.2	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3592.3	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	3542.0	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3580.1	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3580.9	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3585.2	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3599.7	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3603.3	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3595.5	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3555.8	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3553.9	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3561.7	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3581.9	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3561.3	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3585.7	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3579.0	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3561.6	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3565.8	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3560.5	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3601.0	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3567.6	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3572.0	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3567.9	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H]1CO	3574.8	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3561.0	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3570.9	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3577.4	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3572.9	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3573.4	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3579.5	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3585.3	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@@H]1O	3585.1	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3572.0	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	3582.0	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	3577.4	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3567.7	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	3587.7	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #51	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3584.1	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #52	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3584.8	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #53	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3573.6	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #54	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O	3577.9	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #55	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3583.4	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #56	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H]1O	3592.5	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #57	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3591.9	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #58	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]2O)O[C@@H]1CO	3604.4	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #59	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3595.4	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	3547.7	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #60	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1O	3597.5	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #61	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H]1O[Si](C)(C)C(C)(C)C	3596.0	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #62	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	3597.1	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #63	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	3604.9	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #64	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)O[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3605.4	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #65	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3594.4	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #66	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)O[C@@H]1CO	3584.7	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #67	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3562.2	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #68	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3564.7	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #69	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3576.8	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3569.9	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #70	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3571.2	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3568.0	Semi standard non polar	33892256
Melibiose,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3572.6	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 - Melibiose GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Melibiose GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-05	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 - Melibiose 10V, Positive-QTOF	splash10-002f-0209000000-7959f78227a7a5ad2e03	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Melibiose 20V, Positive-QTOF	splash10-03fv-4954000000-b770df15d17722e22d68	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Melibiose 40V, Positive-QTOF	splash10-0kbv-9340000000-ecfae98627db56099495	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Melibiose 10V, Negative-QTOF	splash10-0006-0029000000-ed9511fe35d9af9ada39	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Melibiose 20V, Negative-QTOF	splash10-0pi3-6294000000-cffe78babaec65350402	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Melibiose 40V, Negative-QTOF	splash10-0006-9100000000-341f45dca0cdd3356a31	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2019-05-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular

Biospecimen Locations

Blood
Urine

Tissue Locations

Spleen

Pathways

Name	SMPDB/PathBank	KEGG
Galactose Metabolism
Galactosemia		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Urine	Detected and Quantified	< 0.1 umol/mmol creatinine	Children (1-13 years old)	Both	Normal	10585631	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Bladder cancer	28157703	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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Melibiose

METLIN ID

Not Available

PubChem Compound

6602503

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Pictet, Ame; Vogel, Hans. The synthesis of melibiose. Helvetica Chimica Acta (1927), 10 280.

Material Safety Data Sheet (MSDS)

Not Available

General References

Almeida IC, Milani SR, Gorin PA, Travassos LR: Complement-mediated lysis of Trypanosoma cruzi trypomastigotes by human anti-alpha-galactosyl antibodies. J Immunol. 1991 Apr 1;146(7):2394-400. [PubMed:1706399 ]
Sharma A, Ahmed H, Allen HJ: Isolation of a melibiose-binding protein from human spleen. Glycoconj J. 1995 Feb;12(1):17-21. [PubMed:7795409 ]
Steuer MK, Steuer M, Bonkowsky V, Gabius HJ, Hofstadter F: Characterization of sugar receptor expression by neoglycoproteins in oral and oropharyngeal squamous cell carcinomas. Eur Arch Otorhinolaryngol. 1995;252(5):292-7. [PubMed:7576587 ]
Vaughan HA, Loveland BE, Sandrin MS: Gal alpha(1,3)Gal is the major xenoepitope expressed on pig endothelial cells recognized by naturally occurring cytotoxic human antibodies. Transplantation. 1994 Oct 27;58(8):879-82. [PubMed:7524207 ]
Barboza Junior MS, Silva TM, Guerrant RL, Lima AA: Measurement of intestinal permeability using mannitol and lactulose in children with diarrheal diseases. Braz J Med Biol Res. 1999 Dec;32(12):1499-504. [PubMed:10585631 ]
Furukawa K, Ying R, Nakajima T, Matsuki T: Hemagglutinins in fungus extracts and their blood group specificity. Exp Clin Immunogenet. 1995;12(4):223-31. [PubMed:8919354 ]
Gibbons RJ, Qureshi JV: Inhibition of adsorption of Streptococcus mutans strains to saliva-treated hydroxyapatite by galactose and certain amines. Infect Immun. 1979 Dec;26(3):1214-7. [PubMed:528053 ]
Nicolopoulou A, Zoumbou K, Papageorgacopoulou N, Papapetropoulou M: Metabolic and compositional changes in Escherichia coli cells starved in seawater. Microbiol Res. 1994 Nov;149(4):343-50. [PubMed:7842233 ]
Wu AM, Song SC, Chen YY, Gilboa-Garber N: Defining the carbohydrate specificities of aplysia gonad lectin exhibiting a peculiar D-galacturonic acid affinity. J Biol Chem. 2000 May 12;275(19):14017-24. [PubMed:10799474 ]
Rietra PJ, Van den Bergh FA, Tager JM: Properties of the residual alpha-galactosidase activity in the tissues of a Fabry hemizygote. Clin Chim Acta. 1975 Aug 4;62(3):401-13. [PubMed:809216 ]
Colby SM, Harrington DJ, Russell RR: Identification and genetic characterisation of melibiose-negative isolates of Streptococcus mutans. Caries Res. 1995;29(5):407-12. [PubMed:8521444 ]
Tomita K, Nagura T, Okuhara Y, Nakajima-Adachi H, Shigematsu N, Aritsuka T, Kaminogawa S, Hachimura S: Dietary melibiose regulates th cell response and enhances the induction of oral tolerance. Biosci Biotechnol Biochem. 2007 Nov;71(11):2774-80. Epub 2007 Nov 7. [PubMed:17986780 ]
Hugouvieux-Cotte-Pattat N, Charaoui-Boukerzaza S: Catabolism of raffinose, sucrose, and melibiose in Erwinia chrysanthemi 3937. J Bacteriol. 2009 Nov;191(22):6960-7. doi: 10.1128/JB.00594-09. Epub 2009 Sep 4. [PubMed:19734309 ]
Xu W, Yu S, Liu Q, Zhang T, Jiang B, Mu W: Enzymatic Production of Melibiose from Raffinose by the Levansucrase from Leuconostoc mesenteroides B-512 FMC. J Agric Food Chem. 2017 May 17;65(19):3910-3918. doi: 10.1021/acs.jafc.7b01265. Epub 2017 May 5. [PubMed:28453942 ]

Enzymes

Enzyme Details

1. Alpha-galactosidase A

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

Reactions

Melibiose + Water → beta-D-Galactose + D-Glucose	details
D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose + Water → beta-D-Galactose + Melibiose	details

Enzyme Details

2. Maltase-glucoamylase, intestinal

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

Enzyme Details

3. Neutral alpha-glucosidase C

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

Showing metabocard for Melibiose (HMDB0000048)

MOL for HMDB0000048 (Melibiose)

3D MOL for HMDB0000048 (Melibiose)

3D SDF for HMDB0000048 (Melibiose)

3D-SDF for HMDB0000048 (Melibiose)

PDB for HMDB0000048 (Melibiose)

3D PDB for HMDB0000048 (Melibiose)

SMILES for HMDB0000048 (Melibiose)

INCHI for HMDB0000048 (Melibiose)

Structure for HMDB0000048 (Melibiose)

3D Structure for HMDB0000048 (Melibiose)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions