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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:13:49 UTC

Update Date

2022-03-07 02:55:58 UTC

HMDB ID

HMDB0038882

Secondary Accession Numbers

HMDB38882

Metabolite Identification

Common Name

5-O-beta-D-Xylopyranosyl-L-arabinose

Description

5-O-beta-D-Xylopyranosyl-L-arabinose 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. 5-O-beta-D-Xylopyranosyl-L-arabinose has been detected, but not quantified in, fruits. This could make 5-O-beta-D-xylopyranosyl-L-arabinose a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 5-O-beta-D-Xylopyranosyl-L-arabinose.

Structure

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

HMDB0038882
     RDKit          3D
5-O-beta-D-Xylopyranosyl-L-arabinose
 37 38  0  0  0  0  0  0  0  0999 V2000
    4.4937   -2.0125   -1.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7814   -0.8625   -1.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4845   -0.9883   -0.9161 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    0.2929   -0.6608 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7695    0.3489    0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2060   -0.3097   -0.6195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4454   -0.3188    0.0214 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8886   -1.5661    0.2577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1838   -1.8692    0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1987   -0.8017    0.2306 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9108   -0.9086    1.4280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6459    0.6011    0.1754 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5685    1.5277   -0.2545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4407    0.5250   -0.7722 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9424    1.7605   -1.0833 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2215    0.8586    0.1418 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2028    2.2310    0.2037 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3953    0.3314   -0.6937 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4984    0.0559    0.0763 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7597   -1.9848   -0.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8541   -0.7712   -2.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9654    0.8998   -1.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8937   -0.0731    1.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5074    1.4212    0.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3020    0.2224    0.9843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2918   -2.3085   -0.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4568   -2.7139    0.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9747   -0.8567   -0.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2095   -1.8579    1.5394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2362    0.8278    1.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5019    2.3083    0.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7613   -0.0861   -1.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4407    1.6767   -1.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2461    0.3583    1.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4909    2.5484    1.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6604    1.1228   -1.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3308    0.3709    0.9983 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
  4 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18  2  1  0
 14  7  1  0
  1 20  1  0
  2 21  1  0
  4 22  1  6
  5 23  1  0
  5 24  1  0
  7 25  1  1
  9 26  1  0
  9 27  1  0
 10 28  1  6
 11 29  1  0
 12 30  1  1
 13 31  1  0
 14 32  1  6
 15 33  1  0
 16 34  1  1
 17 35  1  0
 18 36  1  6
 19 37  1  0
M  END


  Mrv0541 02011302272D          

 19 20  0  0  0  0            999 V2000
   -6.8946   -2.8301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7196   -2.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1321   -3.5446    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.7196   -4.2591    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.8946   -4.2591    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.4821   -3.5446    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.4821   -4.9735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1321   -4.9735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9571   -3.5446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5920   -2.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2594   -3.2475    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0045   -4.0320    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1795   -4.0320    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9246   -3.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1399   -2.9925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6946   -4.6995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4894   -4.6995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0441   -2.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6571   -3.5446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6 19  1  1  0  0  0
  5  7  1  6  0  0  0
  4  8  1  1  0  0  0
  3  9  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  6  0  0  0
 12 17  1  1  0  0  0
 11 18  1  6  0  0  0
 18 19  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038882

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O9/c11-3-1-17-10(8(15)5(3)12)18-2-4-6(13)7(14)9(16)19-4/h3-16H,1-2H2/t3-,4+,5+,6+,7-,8-,9?,10+/m1/s1

> <INCHI_KEY>
NXRFRJQIYCYJKT-BIDIDBDVSA-N

> <FORMULA>
C10H18O9

> <MOLECULAR_WEIGHT>
282.2445

> <EXACT_MASS>
282.095082174

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
25.65536015438353

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5R)-2-{[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]methoxy}oxane-3,4,5-triol

> <ALOGPS_LOGP>
-2.87

> <JCHEM_LOGP>
-3.442704979666666

> <ALOGPS_LOGS>
0.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.205179811429016

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.258773791279491

> <JCHEM_PKA_STRONGEST_BASIC>
-3.526580404084756

> <JCHEM_POLAR_SURFACE_AREA>
149.07

> <JCHEM_REFRACTIVITY>
56.411699999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.59e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5R)-2-{[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]methoxy}oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0038882
     RDKit          3D
5-O-beta-D-Xylopyranosyl-L-arabinose
 37 38  0  0  0  0  0  0  0  0999 V2000
    4.4937   -2.0125   -1.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7814   -0.8625   -1.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4845   -0.9883   -0.9161 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    0.2929   -0.6608 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7695    0.3489    0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2060   -0.3097   -0.6195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4454   -0.3188    0.0214 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8886   -1.5661    0.2577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1838   -1.8692    0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1987   -0.8017    0.2306 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9108   -0.9086    1.4280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6459    0.6011    0.1754 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5685    1.5277   -0.2545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4407    0.5250   -0.7722 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9424    1.7605   -1.0833 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2215    0.8586    0.1418 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2028    2.2310    0.2037 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3953    0.3314   -0.6937 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4984    0.0559    0.0763 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7597   -1.9848   -0.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8541   -0.7712   -2.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9654    0.8998   -1.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8937   -0.0731    1.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5074    1.4212    0.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3020    0.2224    0.9843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2918   -2.3085   -0.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4568   -2.7139    0.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9747   -0.8567   -0.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2095   -1.8579    1.5394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2362    0.8278    1.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5019    2.3083    0.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7613   -0.0861   -1.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4407    1.6767   -1.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2461    0.3583    1.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4909    2.5484    1.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6604    1.1228   -1.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3308    0.3709    0.9983 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
  4 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18  2  1  0
 14  7  1  0
  1 20  1  0
  2 21  1  0
  4 22  1  6
  5 23  1  0
  5 24  1  0
  7 25  1  1
  9 26  1  0
  9 27  1  0
 10 28  1  6
 11 29  1  0
 12 30  1  1
 13 31  1  0
 14 32  1  6
 15 33  1  0
 16 34  1  1
 17 35  1  0
 18 36  1  6
 19 37  1  0
M  END

HEADER    PROTEIN                                 01-FEB-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-FEB-13         0                                  
HETATM    1  O   UNK     0     -12.870  -5.283   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0     -14.410  -5.283   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -15.180  -6.617   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -14.410  -7.950   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -12.870  -7.950   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -12.100  -6.617   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0     -12.100  -9.284   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0     -15.180  -9.284   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0     -16.720  -6.617   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -6.705  -5.157   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -7.951  -6.062   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -7.475  -7.526   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.935  -7.526   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.459  -6.062   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -3.994  -5.586   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -5.030  -8.772   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -8.380  -8.772   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -9.416  -5.586   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0     -10.560  -6.617   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    9                                                  
CONECT    4    3    5    8                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1   19                                                  
CONECT    7    5                                                            
CONECT    8    4                                                            
CONECT    9    3                                                            
CONECT   10   11   14                                                       
CONECT   11   10   12   18                                                  
CONECT   12   11   13   17                                                  
CONECT   13   12   14   16                                                  
CONECT   14   13   10   15                                                  
CONECT   15   14                                                            
CONECT   16   13                                                            
CONECT   17   12                                                            
CONECT   18   11   19                                                       
CONECT   19    6   18                                                       
MASTER        0    0    0    0    0    0    0    0   19    0   40    0
END

COMPND    HMDB0038882
HETATM    1  O1  UNL     1       4.494  -2.013  -1.016  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.781  -0.863  -1.353  1.00  0.00           C  
HETATM    3  O2  UNL     1       2.485  -0.988  -0.916  1.00  0.00           O  
HETATM    4  C2  UNL     1       2.050   0.293  -0.661  1.00  0.00           C  
HETATM    5  C3  UNL     1       0.769   0.349   0.127  1.00  0.00           C  
HETATM    6  O3  UNL     1      -0.206  -0.310  -0.619  1.00  0.00           O  
HETATM    7  C4  UNL     1      -1.445  -0.319   0.021  1.00  0.00           C  
HETATM    8  O4  UNL     1      -1.889  -1.566   0.258  1.00  0.00           O  
HETATM    9  C5  UNL     1      -3.184  -1.869   0.065  1.00  0.00           C  
HETATM   10  C6  UNL     1      -4.199  -0.802   0.231  1.00  0.00           C  
HETATM   11  O5  UNL     1      -4.911  -0.909   1.428  1.00  0.00           O  
HETATM   12  C7  UNL     1      -3.646   0.601   0.175  1.00  0.00           C  
HETATM   13  O6  UNL     1      -4.568   1.528  -0.255  1.00  0.00           O  
HETATM   14  C8  UNL     1      -2.441   0.525  -0.772  1.00  0.00           C  
HETATM   15  O7  UNL     1      -1.942   1.760  -1.083  1.00  0.00           O  
HETATM   16  C9  UNL     1       3.221   0.859   0.142  1.00  0.00           C  
HETATM   17  O8  UNL     1       3.203   2.231   0.204  1.00  0.00           O  
HETATM   18  C10 UNL     1       4.395   0.331  -0.694  1.00  0.00           C  
HETATM   19  O9  UNL     1       5.498   0.056   0.076  1.00  0.00           O  
HETATM   20  H1  UNL     1       4.760  -1.985  -0.055  1.00  0.00           H  
HETATM   21  H2  UNL     1       3.854  -0.771  -2.473  1.00  0.00           H  
HETATM   22  H3  UNL     1       1.965   0.900  -1.582  1.00  0.00           H  
HETATM   23  H4  UNL     1       0.894  -0.073   1.131  1.00  0.00           H  
HETATM   24  H5  UNL     1       0.507   1.421   0.252  1.00  0.00           H  
HETATM   25  H6  UNL     1      -1.302   0.222   0.984  1.00  0.00           H  
HETATM   26  H7  UNL     1      -3.292  -2.308  -0.971  1.00  0.00           H  
HETATM   27  H8  UNL     1      -3.457  -2.714   0.746  1.00  0.00           H  
HETATM   28  H9  UNL     1      -4.975  -0.857  -0.582  1.00  0.00           H  
HETATM   29  H10 UNL     1      -5.209  -1.858   1.539  1.00  0.00           H  
HETATM   30  H11 UNL     1      -3.236   0.828   1.188  1.00  0.00           H  
HETATM   31  H12 UNL     1      -4.502   2.308   0.382  1.00  0.00           H  
HETATM   32  H13 UNL     1      -2.761  -0.086  -1.620  1.00  0.00           H  
HETATM   33  H14 UNL     1      -1.441   1.677  -1.942  1.00  0.00           H  
HETATM   34  H15 UNL     1       3.246   0.358   1.118  1.00  0.00           H  
HETATM   35  H16 UNL     1       3.491   2.548   1.104  1.00  0.00           H  
HETATM   36  H17 UNL     1       4.660   1.123  -1.449  1.00  0.00           H  
HETATM   37  H18 UNL     1       5.331   0.371   0.998  1.00  0.00           H  
CONECT    1    2   20
CONECT    2    3   18   21
CONECT    3    4
CONECT    4    5   16   22
CONECT    5    6   23   24
CONECT    6    7
CONECT    7    8   14   25
CONECT    8    9
CONECT    9   10   26   27
CONECT   10   11   12   28
CONECT   11   29
CONECT   12   13   14   30
CONECT   13   31
CONECT   14   15   32
CONECT   15   33
CONECT   16   17   18   34
CONECT   17   35
CONECT   18   19   36
CONECT   19   37
END

HMDB0038882
     RDKit          3D
5-O-beta-D-Xylopyranosyl-L-arabinose
 37 38  0  0  0  0  0  0  0  0999 V2000
    4.4937   -2.0125   -1.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7814   -0.8625   -1.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4845   -0.9883   -0.9161 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    0.2929   -0.6608 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7695    0.3489    0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2060   -0.3097   -0.6195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4454   -0.3188    0.0214 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8886   -1.5661    0.2577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1838   -1.8692    0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1987   -0.8017    0.2306 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9108   -0.9086    1.4280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6459    0.6011    0.1754 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5685    1.5277   -0.2545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4407    0.5250   -0.7722 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9424    1.7605   -1.0833 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2215    0.8586    0.1418 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2028    2.2310    0.2037 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3953    0.3314   -0.6937 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4984    0.0559    0.0763 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7597   -1.9848   -0.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8541   -0.7712   -2.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9654    0.8998   -1.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8937   -0.0731    1.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5074    1.4212    0.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3020    0.2224    0.9843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2918   -2.3085   -0.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4568   -2.7139    0.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9747   -0.8567   -0.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2095   -1.8579    1.5394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2362    0.8278    1.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5019    2.3083    0.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7613   -0.0861   -1.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4407    1.6767   -1.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2461    0.3583    1.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4909    2.5484    1.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6604    1.1228   -1.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3308    0.3709    0.9983 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
  4 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18  2  1  0
 14  7  1  0
  1 20  1  0
  2 21  1  0
  4 22  1  6
  5 23  1  0
  5 24  1  0
  7 25  1  1
  9 26  1  0
  9 27  1  0
 10 28  1  6
 11 29  1  0
 12 30  1  1
 13 31  1  0
 14 32  1  6
 15 33  1  0
 16 34  1  1
 17 35  1  0
 18 36  1  6
 19 37  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
5-O-b-D-Xylopyranosyl-L-arabinose	Generator
5-O-Β-D-xylopyranosyl-L-arabinose	Generator

Chemical Formula

C₁₀H₁₈O₉

Average Molecular Weight

282.2445

Monoisotopic Molecular Weight

282.095082174

IUPAC Name

(2S,3R,4S,5R)-2-{[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]methoxy}oxane-3,4,5-triol

Traditional Name

(2S,3R,4S,5R)-2-{[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]methoxy}oxane-3,4,5-triol

CAS Registry Number

7268-80-6

SMILES

OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C10H18O9/c11-3-1-17-10(8(15)5(3)12)18-2-4-6(13)7(14)9(16)19-4/h3-16H,1-2H2/t3-,4+,5+,6+,7-,8-,9?,10+/m1/s1

InChI Key

NXRFRJQIYCYJKT-BIDIDBDVSA-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
Tetrahydrofuran
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Ingestion (HMDB: HMDB0038882)

Source

Exogenous

Exogenous (HMDB: HMDB0038882)

Food

Food (HMDB: HMDB0038882)

Fruit

Fruits (FooDB: FOOD00871)

Endogenous

Plant

Plant (HMDB: HMDB0038882)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0038882)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	559 g/L	ALOGPS
logP	-2.9	ALOGPS
logP	-3.4	ChemAxon
logS	0.3	ALOGPS
pKa (Strongest Acidic)	11.26	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	149.07 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	56.41 m³·mol⁻¹	ChemAxon
Polarizability	25.66 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	164.147	31661259
DarkChem	[M-H]-	159.027	31661259
DeepCCS	[M+H]+	161.868	30932474
DeepCCS	[M-H]-	159.472	30932474
DeepCCS	[M-2H]-	193.567	30932474
DeepCCS	[M+Na]+	168.145	30932474
AllCCS	[M+H]+	165.6	32859911
AllCCS	[M+H-H2O]+	162.2	32859911
AllCCS	[M+NH4]+	168.8	32859911
AllCCS	[M+Na]+	169.8	32859911
AllCCS	[M-H]-	161.4	32859911
AllCCS	[M+Na-2H]-	161.1	32859911
AllCCS	[M+HCOO]-	161.0	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	1.58 minutes	32390414
Predicted by Siyang on May 30, 2022	10.2288 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	7.17 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	325.8 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	719.7 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	264.9 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	39.2 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	177.5 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	73.1 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	294.7 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	259.9 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	718.2 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	586.9 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	53.3 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	802.1 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	199.1 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	238.2 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	644.4 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	403.2 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	377.1 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
5-O-beta-D-Xylopyranosyl-L-arabinose	OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	3521.5	Standard polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose	OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	2558.3	Standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose	OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	2430.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
5-O-beta-D-Xylopyranosyl-L-arabinose,1TMS,isomer #1	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	2446.5	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	2377.2	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,1TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O)CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O)[C@@H]1O	2350.3	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,1TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O)OC[C@@H](O)[C@@H]1O	2351.9	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,1TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)OC(O)[C@@H]1O	2405.0	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,1TMS,isomer #6	C[Si](C)(C)O[C@H]1C(O)O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O	2419.5	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TMS,isomer #1	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	2446.2	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](O)CO[C@@H](OC[C@@H]2OC(O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H]1O	2414.9	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@H](O)CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O	2396.7	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](O)CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C	2356.4	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TMS,isomer #13	C[Si](C)(C)O[C@H]1C(O)O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O	2408.6	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TMS,isomer #14	C[Si](C)(C)O[C@H]1[C@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)OC[C@@H](O)[C@@H]1O	2390.4	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)OC(O)[C@@H]1O[Si](C)(C)C	2438.4	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TMS,isomer #2	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@H]1O	2420.4	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TMS,isomer #3	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	2416.9	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TMS,isomer #4	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	2437.9	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TMS,isomer #5	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	2469.4	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TMS,isomer #6	C[Si](C)(C)O[C@H]1C(O)O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H]1O	2436.3	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TMS,isomer #7	C[Si](C)(C)O[C@@H]1CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	2419.9	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TMS,isomer #8	C[Si](C)(C)O[C@@H]1CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	2361.3	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TMS,isomer #9	C[Si](C)(C)O[C@@H]1CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	2356.4	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TMS,isomer #1	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@H]1O	2387.0	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TMS,isomer #10	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2427.8	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TMS,isomer #11	C[Si](C)(C)O[C@H]1C(O)O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H]1O	2410.2	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TMS,isomer #12	C[Si](C)(C)O[C@@H]1CO[C@@H](OC[C@@H]2OC(O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	2418.1	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)OC(O)[C@@H]1O[Si](C)(C)C	2445.5	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TMS,isomer #14	C[Si](C)(C)O[C@@H]1CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2401.2	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TMS,isomer #15	C[Si](C)(C)O[C@@H]1CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2389.5	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TMS,isomer #16	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C	2377.0	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TMS,isomer #17	C[Si](C)(C)O[C@H]1[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)OC(O)[C@@H]1O[Si](C)(C)C	2437.1	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TMS,isomer #18	C[Si](C)(C)O[C@H]1[C@H](O)CO[C@@H](OC[C@@H]2OC(O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H]1O[Si](C)(C)C	2415.0	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@H](O)CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2395.9	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TMS,isomer #2	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	2403.2	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)OC(O)[C@@H]1O[Si](C)(C)C	2423.9	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TMS,isomer #3	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	2417.8	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TMS,isomer #4	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	2436.5	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TMS,isomer #5	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	2395.0	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TMS,isomer #6	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	2412.5	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TMS,isomer #7	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	2429.9	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TMS,isomer #8	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2399.7	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TMS,isomer #9	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2415.0	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TMS,isomer #1	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	2408.1	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TMS,isomer #10	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2397.8	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)CO[C@@H](OC[C@@H]2OC(O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H]1O[Si](C)(C)C	2450.4	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)OC(O)[C@@H]1O[Si](C)(C)C	2440.8	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)OC(O)[C@@H]1O[Si](C)(C)C	2452.0	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TMS,isomer #14	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2423.3	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)OC(O)[C@@H]1O[Si](C)(C)C	2438.4	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TMS,isomer #2	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	2419.4	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TMS,isomer #3	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	2416.2	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TMS,isomer #4	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2429.0	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TMS,isomer #5	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2428.5	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TMS,isomer #6	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2415.7	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TMS,isomer #7	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2410.2	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TMS,isomer #8	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[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	2409.5	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TMS,isomer #9	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2423.3	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,5TMS,isomer #1	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2445.7	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,5TMS,isomer #2	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2441.5	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,5TMS,isomer #3	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2422.5	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,5TMS,isomer #4	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2426.1	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,5TMS,isomer #5	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2416.3	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,5TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)OC(O)[C@@H]1O[Si](C)(C)C	2468.4	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,6TMS,isomer #1	C[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2457.7	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	2679.3	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	2627.2	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O)[C@@H]1O	2594.8	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O)OC[C@@H](O)[C@@H]1O	2605.1	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)OC(O)[C@@H]1O	2637.5	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1C(O)O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O	2669.5	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	2901.4	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)CO[C@@H](OC[C@@H]2OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H]1O	2857.8	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	2841.1	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	2822.0	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1C(O)O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	2850.6	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)OC[C@@H](O)[C@@H]1O	2841.8	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)OC(O)[C@@H]1O[Si](C)(C)C(C)(C)C	2879.9	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@H]1O	2863.8	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	2863.9	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2877.3	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2899.2	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1C(O)O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H]1O	2892.7	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	2873.6	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2818.7	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2823.4	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@H]1O	3058.5	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3105.1	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1C(O)O[C@@H](CO[C@@H]2OC[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	3080.2	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H](OC[C@@H]2OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3083.4	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)OC(O)[C@@H]1O[Si](C)(C)C(C)(C)C	3126.6	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3068.9	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3059.4	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	3044.5	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)OC(O)[C@@H]1O[Si](C)(C)C(C)(C)C	3091.8	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)CO[C@@H](OC[C@@H]2OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	3071.0	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3054.2	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[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	3070.5	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)OC(O)[C@@H]1O[Si](C)(C)C(C)(C)C	3092.4	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3114.6	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[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	3127.6	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[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	3048.9	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3069.3	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3082.2	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3080.1	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3084.2	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3251.6	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3278.7	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)CO[C@@H](OC[C@@H]2OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	3295.0	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)OC(O)[C@@H]1O[Si](C)(C)C(C)(C)C	3289.3	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)OC(O)[C@@H]1O[Si](C)(C)C(C)(C)C	3306.1	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)CO[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3266.7	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)OC(O)[C@@H]1O[Si](C)(C)C(C)(C)C	3287.5	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3250.9	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3270.5	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3270.4	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3287.2	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3301.6	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3247.9	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[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	3268.3	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3261.2	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[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[Si](C)(C)C(C)(C)C)[C@H]1O	3438.2	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3462.6	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3441.1	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3466.0	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3441.2	Semi standard non polar	33892256
5-O-beta-D-Xylopyranosyl-L-arabinose,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](CO[C@@H]2OC[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)OC(O)[C@@H]1O[Si](C)(C)C(C)(C)C	3477.6	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 - 5-O-beta-D-Xylopyranosyl-L-arabinose GC-MS (Non-derivatized) - 70eV, Positive	splash10-00dl-3390000000-3eba693a2158466bff56	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-O-beta-D-Xylopyranosyl-L-arabinose GC-MS (5 TMS) - 70eV, Positive	splash10-004i-3212179000-7cbc699865eb2a96850d	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-O-beta-D-Xylopyranosyl-L-arabinose GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-O-beta-D-Xylopyranosyl-L-arabinose 10V, Positive-QTOF	splash10-00lr-0390000000-e89531f65c5c68956b45	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-O-beta-D-Xylopyranosyl-L-arabinose 20V, Positive-QTOF	splash10-0f89-1920000000-d28e8083fb747370f38b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-O-beta-D-Xylopyranosyl-L-arabinose 40V, Positive-QTOF	splash10-001i-7910000000-169a9a2e3744ddb6c12f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-O-beta-D-Xylopyranosyl-L-arabinose 10V, Negative-QTOF	splash10-001i-2790000000-02893b97412f90bb6ba4	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-O-beta-D-Xylopyranosyl-L-arabinose 20V, Negative-QTOF	splash10-001j-1920000000-627cc53b97e2616c0c49	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-O-beta-D-Xylopyranosyl-L-arabinose 40V, Negative-QTOF	splash10-0006-9300000000-31497de11953d7633ac5	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-O-beta-D-Xylopyranosyl-L-arabinose 10V, Positive-QTOF	splash10-00lr-0930000000-6bf6c9ea5a952c7e6ea2	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-O-beta-D-Xylopyranosyl-L-arabinose 20V, Positive-QTOF	splash10-001i-5910000000-ffd72445d480580e4bce	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-O-beta-D-Xylopyranosyl-L-arabinose 40V, Positive-QTOF	splash10-06dl-9500000000-8dc7b0de2923289264c6	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-O-beta-D-Xylopyranosyl-L-arabinose 10V, Negative-QTOF	splash10-000y-1940000000-2d1c032df7586c95fdc6	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-O-beta-D-Xylopyranosyl-L-arabinose 20V, Negative-QTOF	splash10-052f-9400000000-0e2896aac9544967c861	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-O-beta-D-Xylopyranosyl-L-arabinose 40V, Negative-QTOF	splash10-0006-9100000000-18b597b48ffd58441368	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB018331

KNApSAcK ID

C00058188

Chemspider ID

35014683

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131752485

PDB ID

Not Available

ChEBI ID

174694

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for 5-O-beta-D-Xylopyranosyl-L-arabinose (HMDB0038882)

MOL for HMDB0038882 (5-O-beta-D-Xylopyranosyl-L-arabinose)

3D MOL for HMDB0038882 (5-O-beta-D-Xylopyranosyl-L-arabinose)

3D SDF for HMDB0038882 (5-O-beta-D-Xylopyranosyl-L-arabinose)

3D-SDF for HMDB0038882 (5-O-beta-D-Xylopyranosyl-L-arabinose)

PDB for HMDB0038882 (5-O-beta-D-Xylopyranosyl-L-arabinose)

3D PDB for HMDB0038882 (5-O-beta-D-Xylopyranosyl-L-arabinose)

SMILES for HMDB0038882 (5-O-beta-D-Xylopyranosyl-L-arabinose)

INCHI for HMDB0038882 (5-O-beta-D-Xylopyranosyl-L-arabinose)

Structure for HMDB0038882 (5-O-beta-D-Xylopyranosyl-L-arabinose)

3D Structure for HMDB0038882 (5-O-beta-D-Xylopyranosyl-L-arabinose)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra