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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:31:32 UTC

Update Date

2022-03-07 02:52:13 UTC

HMDB ID

HMDB0029619

Secondary Accession Numbers

HMDB29619

Metabolite Identification

Common Name

Arabinopyranobiose

Description

Arabinopyranobiose, also known as 4-oxopyrimidine, 29A, belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Based on a literature review very few articles have been published on Arabinopyranobiose.

Structure

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

HMDB0029619
     RDKit          3D
Arabinopyranobiose
 37 38  0  0  0  0  0  0  0  0999 V2000
   -3.0314    0.5339   -2.2589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0832   -0.3337   -1.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8879   -1.2291   -1.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6073   -1.6344    0.0987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -0.5338    0.7805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0050   -0.0752    0.0157 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2481   -0.1475    0.6129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7844    1.2465    0.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5567    1.2657    2.0702 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7054    1.7217   -0.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7572    0.8308   -0.2222 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3287   -0.3424   -0.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0063   -0.0629   -2.1388 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2111   -1.0232   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7979   -1.9720    0.7824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0420    0.5795    0.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4501    0.6874    2.2850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2895    0.3863    0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2844   -0.2528    0.9091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2439    1.4587   -1.9634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0003   -0.9645   -1.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0041   -0.6570   -1.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1152   -2.1038   -1.8129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7659   -0.9035    1.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0471   -0.5890    1.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9555    1.9639    1.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5174    1.1410    1.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1765    1.7970   -1.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0860    2.7123    0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2273   -1.0141   -0.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6668   -0.8945   -2.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6585   -1.6428   -0.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5706   -1.5444    1.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5799    1.5586    0.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9495   -0.1492    2.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6991    1.3944   -0.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2251   -1.2079    0.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  5 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
  3 22  1  0
  3 23  1  0
  5 24  1  0
  7 25  1  0
  8 26  1  0
  9 27  1  0
 10 28  1  0
 10 29  1  0
 12 30  1  0
 13 31  1  0
 14 32  1  0
 15 33  1  0
 16 34  1  0
 17 35  1  0
 18 36  1  0
 19 37  1  0
M  END

  Mrv0541 05061304502D          

 19 20  0  0  0  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  8  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 16  9  1  0  0  0  0
 17  2  1  0  0  0  0
 17  9  1  0  0  0  0
 18  1  1  0  0  0  0
 18 10  1  0  0  0  0
 19  8  1  0  0  0  0
 19 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029619

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1COC(OC2C(O)COC(O)C2O)C(O)C1O

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

> <INCHI_KEY>
FVPQAMUWCNJRQW-UHFFFAOYSA-N

> <FORMULA>
C10H18O9

> <MOLECULAR_WEIGHT>
282.2445

> <EXACT_MASS>
282.095082174

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
25.77663697718015

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(2,3,5-trihydroxyoxan-4-yl)oxy]oxane-3,4,5-triol

> <ALOGPS_LOGP>
-3.06

> <JCHEM_LOGP>
-3.442704979666666

> <ALOGPS_LOGS>
0.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.221908114998007

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.269013899586088

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5265806621168716

> <JCHEM_POLAR_SURFACE_AREA>
149.07

> <JCHEM_REFRACTIVITY>
56.4117

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.25e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[(2,3,5-trihydroxyoxan-4-yl)oxy]oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029619
     RDKit          3D
Arabinopyranobiose
 37 38  0  0  0  0  0  0  0  0999 V2000
   -3.0314    0.5339   -2.2589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0832   -0.3337   -1.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8879   -1.2291   -1.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6073   -1.6344    0.0987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -0.5338    0.7805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0050   -0.0752    0.0157 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2481   -0.1475    0.6129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7844    1.2465    0.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5567    1.2657    2.0702 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7054    1.7217   -0.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7572    0.8308   -0.2222 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3287   -0.3424   -0.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0063   -0.0629   -2.1388 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2111   -1.0232   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7979   -1.9720    0.7824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0420    0.5795    0.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4501    0.6874    2.2850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2895    0.3863    0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2844   -0.2528    0.9091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2439    1.4587   -1.9634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0003   -0.9645   -1.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0041   -0.6570   -1.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1152   -2.1038   -1.8129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7659   -0.9035    1.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0471   -0.5890    1.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9555    1.9639    1.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5174    1.1410    1.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1765    1.7970   -1.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0860    2.7123    0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2273   -1.0141   -0.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6668   -0.8945   -2.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6585   -1.6428   -0.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5706   -1.5444    1.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5799    1.5586    0.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9495   -0.1492    2.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6991    1.3944   -0.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2251   -1.2079    0.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  5 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
  3 22  1  0
  3 23  1  0
  5 24  1  0
  7 25  1  0
  8 26  1  0
  9 27  1  0
 10 28  1  0
 10 29  1  0
 12 30  1  0
 13 31  1  0
 14 32  1  0
 15 33  1  0
 16 34  1  0
 17 35  1  0
 18 36  1  0
 19 37  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -1.334   8.470   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      -4.001   6.930   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -4.001   3.850   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       0.000   4.620   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
CONECT    1    3   18                                                       
CONECT    2    4   17                                                       
CONECT    3    1    5   11                                                  
CONECT    4    2    8   12                                                  
CONECT    5    3    6   13                                                  
CONECT    6    5   10   14                                                  
CONECT    7    8    9   15                                                  
CONECT    8    4    7   19                                                  
CONECT    9    7   16   17                                                  
CONECT   10    6   18   19                                                  
CONECT   11    3                                                            
CONECT   12    4                                                            
CONECT   13    5                                                            
CONECT   14    6                                                            
CONECT   15    7                                                            
CONECT   16    9                                                            
CONECT   17    2    9                                                       
CONECT   18    1   10                                                       
CONECT   19    8   10                                                       
MASTER        0    0    0    0    0    0    0    0   19    0   40    0
END

COMPND    HMDB0029619
HETATM    1  O1  UNL     1      -3.031   0.534  -2.259  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.083  -0.334  -1.145  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.888  -1.229  -1.185  1.00  0.00           C  
HETATM    4  O2  UNL     1      -1.607  -1.634   0.099  1.00  0.00           O  
HETATM    5  C3  UNL     1      -1.038  -0.534   0.780  1.00  0.00           C  
HETATM    6  O3  UNL     1      -0.005  -0.075   0.016  1.00  0.00           O  
HETATM    7  C4  UNL     1       1.248  -0.147   0.613  1.00  0.00           C  
HETATM    8  C5  UNL     1       1.784   1.246   0.906  1.00  0.00           C  
HETATM    9  O4  UNL     1       2.557   1.266   2.070  1.00  0.00           O  
HETATM   10  C6  UNL     1       2.705   1.722  -0.204  1.00  0.00           C  
HETATM   11  O5  UNL     1       3.757   0.831  -0.222  1.00  0.00           O  
HETATM   12  C7  UNL     1       3.329  -0.342  -0.805  1.00  0.00           C  
HETATM   13  O6  UNL     1       3.006  -0.063  -2.139  1.00  0.00           O  
HETATM   14  C8  UNL     1       2.211  -1.023  -0.088  1.00  0.00           C  
HETATM   15  O7  UNL     1       2.798  -1.972   0.782  1.00  0.00           O  
HETATM   16  C9  UNL     1      -2.042   0.579   0.952  1.00  0.00           C  
HETATM   17  O8  UNL     1      -2.450   0.687   2.285  1.00  0.00           O  
HETATM   18  C10 UNL     1      -3.289   0.386   0.133  1.00  0.00           C  
HETATM   19  O9  UNL     1      -4.284  -0.253   0.909  1.00  0.00           O  
HETATM   20  H1  UNL     1      -3.244   1.459  -1.963  1.00  0.00           H  
HETATM   21  H2  UNL     1      -4.000  -0.964  -1.332  1.00  0.00           H  
HETATM   22  H3  UNL     1      -1.004  -0.657  -1.552  1.00  0.00           H  
HETATM   23  H4  UNL     1      -2.115  -2.104  -1.813  1.00  0.00           H  
HETATM   24  H5  UNL     1      -0.766  -0.903   1.769  1.00  0.00           H  
HETATM   25  H6  UNL     1       1.047  -0.589   1.616  1.00  0.00           H  
HETATM   26  H7  UNL     1       0.956   1.964   1.067  1.00  0.00           H  
HETATM   27  H8  UNL     1       3.517   1.141   1.900  1.00  0.00           H  
HETATM   28  H9  UNL     1       2.176   1.797  -1.173  1.00  0.00           H  
HETATM   29  H10 UNL     1       3.086   2.712   0.097  1.00  0.00           H  
HETATM   30  H11 UNL     1       4.227  -1.014  -0.854  1.00  0.00           H  
HETATM   31  H12 UNL     1       2.667  -0.894  -2.601  1.00  0.00           H  
HETATM   32  H13 UNL     1       1.659  -1.643  -0.833  1.00  0.00           H  
HETATM   33  H14 UNL     1       3.571  -1.544   1.248  1.00  0.00           H  
HETATM   34  H15 UNL     1      -1.580   1.559   0.701  1.00  0.00           H  
HETATM   35  H16 UNL     1      -2.949  -0.149   2.480  1.00  0.00           H  
HETATM   36  H17 UNL     1      -3.699   1.394  -0.093  1.00  0.00           H  
HETATM   37  H18 UNL     1      -4.225  -1.208   0.658  1.00  0.00           H  
CONECT    1    2   20
CONECT    2    3   18   21
CONECT    3    4   22   23
CONECT    4    5
CONECT    5    6   16   24
CONECT    6    7
CONECT    7    8   14   25
CONECT    8    9   10   26
CONECT    9   27
CONECT   10   11   28   29
CONECT   11   12
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

HMDB0029619
     RDKit          3D
Arabinopyranobiose
 37 38  0  0  0  0  0  0  0  0999 V2000
   -3.0314    0.5339   -2.2589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0832   -0.3337   -1.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8879   -1.2291   -1.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6073   -1.6344    0.0987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -0.5338    0.7805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0050   -0.0752    0.0157 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2481   -0.1475    0.6129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7844    1.2465    0.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5567    1.2657    2.0702 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7054    1.7217   -0.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7572    0.8308   -0.2222 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3287   -0.3424   -0.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0063   -0.0629   -2.1388 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2111   -1.0232   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7979   -1.9720    0.7824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0420    0.5795    0.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4501    0.6874    2.2850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2895    0.3863    0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2844   -0.2528    0.9091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2439    1.4587   -1.9634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0003   -0.9645   -1.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0041   -0.6570   -1.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1152   -2.1038   -1.8129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7659   -0.9035    1.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0471   -0.5890    1.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9555    1.9639    1.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5174    1.1410    1.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1765    1.7970   -1.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0860    2.7123    0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2273   -1.0141   -0.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6668   -0.8945   -2.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6585   -1.6428   -0.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5706   -1.5444    1.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5799    1.5586    0.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9495   -0.1492    2.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6991    1.3944   -0.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2251   -1.2079    0.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  5 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
  3 22  1  0
  3 23  1  0
  5 24  1  0
  7 25  1  0
  8 26  1  0
  9 27  1  0
 10 28  1  0
 10 29  1  0
 12 30  1  0
 13 31  1  0
 14 32  1  0
 15 33  1  0
 16 34  1  0
 17 35  1  0
 18 36  1  0
 19 37  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
4-Oxopyrimidine, 29a	HMDB

Chemical Formula

C₁₀H₁₈O₉

Average Molecular Weight

282.2445

Monoisotopic Molecular Weight

282.095082174

IUPAC Name

2-[(2,3,5-trihydroxyoxan-4-yl)oxy]oxane-3,4,5-triol

Traditional Name

2-[(2,3,5-trihydroxyoxan-4-yl)oxy]oxane-3,4,5-triol

CAS Registry Number

20546-04-7

SMILES

OC1COC(OC2C(O)COC(O)C2O)C(O)C1O

InChI Identifier

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

InChI Key

FVPQAMUWCNJRQW-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

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

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

a disaccharide (CPD-13290 )
a 1->3-β-D-xylan oligosaccharide (CPD-13290 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0029619)
Cytoplasm (HMDB: HMDB0029619)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0029619)

Source

Endogenous

Endogenous (HMDB: HMDB0029619)

Plant

Plant (HMDB: HMDB0029619)

Exogenous

Food

Food (HMDB: HMDB0029619)

Fruit

Citrus

Citrus (FooDB: FOOD00859)

Fruits (FooDB: FOOD00871)

Exogenous (HMDB: HMDB0029619)

Process

Not Available

Role

Not Available

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	1000000 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	625 g/L	ALOGPS
logP	-3.1	ALOGPS
logP	-3.4	ChemAxon
logS	0.34	ALOGPS
pKa (Strongest Acidic)	11.27	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	2	ChemAxon
Refractivity	56.41 m³·mol⁻¹	ChemAxon
Polarizability	25.78 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]+	163.274	31661259
DarkChem	[M-H]-	156.467	31661259
DeepCCS	[M+H]+	156.676	30932474
DeepCCS	[M-H]-	154.318	30932474
DeepCCS	[M-2H]-	187.613	30932474
DeepCCS	[M+Na]+	162.769	30932474
AllCCS	[M+H]+	165.3	32859911
AllCCS	[M+H-H2O]+	161.8	32859911
AllCCS	[M+NH4]+	168.6	32859911
AllCCS	[M+Na]+	169.5	32859911
AllCCS	[M-H]-	160.5	32859911
AllCCS	[M+Na-2H]-	160.3	32859911
AllCCS	[M+HCOO]-	160.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Arabinopyranobiose	OC1COC(OC2C(O)COC(O)C2O)C(O)C1O	3308.9	Standard polar	33892256
Arabinopyranobiose	OC1COC(OC2C(O)COC(O)C2O)C(O)C1O	2660.9	Standard non polar	33892256
Arabinopyranobiose	OC1COC(OC2C(O)COC(O)C2O)C(O)C1O	2316.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Arabinopyranobiose,1TMS,isomer #1	C[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O)C(O)C1O	2592.4	Semi standard non polar	33892256
Arabinopyranobiose,1TMS,isomer #2	C[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O)C(O)C1O	2596.2	Semi standard non polar	33892256
Arabinopyranobiose,1TMS,isomer #3	C[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O	2551.0	Semi standard non polar	33892256
Arabinopyranobiose,1TMS,isomer #4	C[Si](C)(C)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1O	2569.2	Semi standard non polar	33892256
Arabinopyranobiose,1TMS,isomer #5	C[Si](C)(C)OC1C(OC2C(O)COC(O)C2O)OCC(O)C1O	2552.7	Semi standard non polar	33892256
Arabinopyranobiose,1TMS,isomer #6	C[Si](C)(C)OC1C(O)COC(OC2C(O)COC(O)C2O)C1O	2538.2	Semi standard non polar	33892256
Arabinopyranobiose,2TMS,isomer #1	C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)COC(O)C2O)C(O)C1O	2541.3	Semi standard non polar	33892256
Arabinopyranobiose,2TMS,isomer #10	C[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C1O	2518.8	Semi standard non polar	33892256
Arabinopyranobiose,2TMS,isomer #11	C[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C1O	2521.2	Semi standard non polar	33892256
Arabinopyranobiose,2TMS,isomer #12	C[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O[Si](C)(C)C	2548.7	Semi standard non polar	33892256
Arabinopyranobiose,2TMS,isomer #13	C[Si](C)(C)OC1C(O)COC(OC2C(O)COC(O)C2O[Si](C)(C)C)C1O	2518.1	Semi standard non polar	33892256
Arabinopyranobiose,2TMS,isomer #14	C[Si](C)(C)OC1C(OC2C(O)COC(O)C2O[Si](C)(C)C)OCC(O)C1O	2518.0	Semi standard non polar	33892256
Arabinopyranobiose,2TMS,isomer #15	C[Si](C)(C)OC1C(O)COC(OC2C(O)COC(O)C2O)C1O[Si](C)(C)C	2504.4	Semi standard non polar	33892256
Arabinopyranobiose,2TMS,isomer #2	C[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C)C2O)C(O)C1O	2539.5	Semi standard non polar	33892256
Arabinopyranobiose,2TMS,isomer #3	C[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O[Si](C)(C)C)C(O)C1O	2542.8	Semi standard non polar	33892256
Arabinopyranobiose,2TMS,isomer #4	C[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O)C(O[Si](C)(C)C)C1O	2498.4	Semi standard non polar	33892256
Arabinopyranobiose,2TMS,isomer #5	C[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O)C(O)C1O[Si](C)(C)C	2522.3	Semi standard non polar	33892256
Arabinopyranobiose,2TMS,isomer #6	C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O)C1OC1OCC(O)C(O)C1O	2546.6	Semi standard non polar	33892256
Arabinopyranobiose,2TMS,isomer #7	C[Si](C)(C)OC1COC(O)C(O[Si](C)(C)C)C1OC1OCC(O)C(O)C1O	2547.1	Semi standard non polar	33892256
Arabinopyranobiose,2TMS,isomer #8	C[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O)C(O[Si](C)(C)C)C1O	2507.7	Semi standard non polar	33892256
Arabinopyranobiose,2TMS,isomer #9	C[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O)C(O)C1O[Si](C)(C)C	2522.0	Semi standard non polar	33892256
Arabinopyranobiose,3TMS,isomer #1	C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)COC(O[Si](C)(C)C)C2O)C(O)C1O	2529.1	Semi standard non polar	33892256
Arabinopyranobiose,3TMS,isomer #10	C[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2504.0	Semi standard non polar	33892256
Arabinopyranobiose,3TMS,isomer #11	C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OCC(O)C(O)C1O	2538.6	Semi standard non polar	33892256
Arabinopyranobiose,3TMS,isomer #12	C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O)C1OC1OCC(O)C(O[Si](C)(C)C)C1O	2528.9	Semi standard non polar	33892256
Arabinopyranobiose,3TMS,isomer #13	C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O)C1OC1OCC(O)C(O)C1O[Si](C)(C)C	2520.4	Semi standard non polar	33892256
Arabinopyranobiose,3TMS,isomer #14	C[Si](C)(C)OC1COC(O)C(O[Si](C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C)C1O	2508.6	Semi standard non polar	33892256
Arabinopyranobiose,3TMS,isomer #15	C[Si](C)(C)OC1COC(O)C(O[Si](C)(C)C)C1OC1OCC(O)C(O)C1O[Si](C)(C)C	2490.9	Semi standard non polar	33892256
Arabinopyranobiose,3TMS,isomer #16	C[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2474.5	Semi standard non polar	33892256
Arabinopyranobiose,3TMS,isomer #17	C[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	2483.9	Semi standard non polar	33892256
Arabinopyranobiose,3TMS,isomer #18	C[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C	2524.4	Semi standard non polar	33892256
Arabinopyranobiose,3TMS,isomer #19	C[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C	2531.0	Semi standard non polar	33892256
Arabinopyranobiose,3TMS,isomer #2	C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)COC(O)C2O[Si](C)(C)C)C(O)C1O	2507.0	Semi standard non polar	33892256
Arabinopyranobiose,3TMS,isomer #20	C[Si](C)(C)OC1C(O)COC(OC2C(O)COC(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C	2483.5	Semi standard non polar	33892256
Arabinopyranobiose,3TMS,isomer #3	C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)COC(O)C2O)C(O[Si](C)(C)C)C1O	2485.2	Semi standard non polar	33892256
Arabinopyranobiose,3TMS,isomer #4	C[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2524.0	Semi standard non polar	33892256
Arabinopyranobiose,3TMS,isomer #5	C[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	2532.0	Semi standard non polar	33892256
Arabinopyranobiose,3TMS,isomer #6	C[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	2499.8	Semi standard non polar	33892256
Arabinopyranobiose,3TMS,isomer #7	C[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	2530.0	Semi standard non polar	33892256
Arabinopyranobiose,3TMS,isomer #8	C[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2489.3	Semi standard non polar	33892256
Arabinopyranobiose,3TMS,isomer #9	C[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2507.4	Semi standard non polar	33892256
Arabinopyranobiose,4TMS,isomer #1	C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)COC(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	2433.9	Semi standard non polar	33892256
Arabinopyranobiose,4TMS,isomer #10	C[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2448.1	Semi standard non polar	33892256
Arabinopyranobiose,4TMS,isomer #11	C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C)C1O	2412.2	Semi standard non polar	33892256
Arabinopyranobiose,4TMS,isomer #12	C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OCC(O)C(O)C1O[Si](C)(C)C	2419.4	Semi standard non polar	33892256
Arabinopyranobiose,4TMS,isomer #13	C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O)C1OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2416.6	Semi standard non polar	33892256
Arabinopyranobiose,4TMS,isomer #14	C[Si](C)(C)OC1COC(O)C(O[Si](C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2433.0	Semi standard non polar	33892256
Arabinopyranobiose,4TMS,isomer #15	C[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O[Si](C)(C)C	2429.6	Semi standard non polar	33892256
Arabinopyranobiose,4TMS,isomer #2	C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)COC(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	2436.6	Semi standard non polar	33892256
Arabinopyranobiose,4TMS,isomer #3	C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O)C1OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2451.0	Semi standard non polar	33892256
Arabinopyranobiose,4TMS,isomer #4	C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)COC(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2454.0	Semi standard non polar	33892256
Arabinopyranobiose,4TMS,isomer #5	C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)COC(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2455.1	Semi standard non polar	33892256
Arabinopyranobiose,4TMS,isomer #6	C[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2448.7	Semi standard non polar	33892256
Arabinopyranobiose,4TMS,isomer #7	C[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2449.7	Semi standard non polar	33892256
Arabinopyranobiose,4TMS,isomer #8	C[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2471.9	Semi standard non polar	33892256
Arabinopyranobiose,4TMS,isomer #9	C[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2433.0	Semi standard non polar	33892256
Arabinopyranobiose,5TMS,isomer #1	C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)COC(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2337.8	Semi standard non polar	33892256
Arabinopyranobiose,5TMS,isomer #2	C[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C)COC(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2353.6	Semi standard non polar	33892256
Arabinopyranobiose,5TMS,isomer #3	C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O)C1OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2362.2	Semi standard non polar	33892256
Arabinopyranobiose,5TMS,isomer #4	C[Si](C)(C)OC1COC(O)C(O[Si](C)(C)C)C1OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2366.2	Semi standard non polar	33892256
Arabinopyranobiose,5TMS,isomer #5	C[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2374.5	Semi standard non polar	33892256
Arabinopyranobiose,5TMS,isomer #6	C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2315.1	Semi standard non polar	33892256
Arabinopyranobiose,6TMS,isomer #1	C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2295.1	Semi standard non polar	33892256
Arabinopyranobiose,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O)C(O)C1O	2836.6	Semi standard non polar	33892256
Arabinopyranobiose,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O)C(O)C1O	2848.9	Semi standard non polar	33892256
Arabinopyranobiose,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O	2814.5	Semi standard non polar	33892256
Arabinopyranobiose,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1O	2832.7	Semi standard non polar	33892256
Arabinopyranobiose,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)COC(O)C2O)OCC(O)C1O	2812.4	Semi standard non polar	33892256
Arabinopyranobiose,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(O)COC(O)C2O)C1O	2814.4	Semi standard non polar	33892256
Arabinopyranobiose,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)COC(O)C2O)C(O)C1O	3025.1	Semi standard non polar	33892256
Arabinopyranobiose,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	2982.4	Semi standard non polar	33892256
Arabinopyranobiose,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	2997.6	Semi standard non polar	33892256
Arabinopyranobiose,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O[Si](C)(C)C(C)(C)C	3017.7	Semi standard non polar	33892256
Arabinopyranobiose,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(O)COC(O)C2O[Si](C)(C)C(C)(C)C)C1O	2993.6	Semi standard non polar	33892256
Arabinopyranobiose,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)COC(O)C2O[Si](C)(C)C(C)(C)C)OCC(O)C1O	3005.4	Semi standard non polar	33892256
Arabinopyranobiose,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(O)COC(O)C2O)C1O[Si](C)(C)C(C)(C)C	2994.8	Semi standard non polar	33892256
Arabinopyranobiose,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	3010.4	Semi standard non polar	33892256
Arabinopyranobiose,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3018.1	Semi standard non polar	33892256
Arabinopyranobiose,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	2997.7	Semi standard non polar	33892256
Arabinopyranobiose,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3009.1	Semi standard non polar	33892256
Arabinopyranobiose,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1COC(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OCC(O)C(O)C1O	3015.9	Semi standard non polar	33892256
Arabinopyranobiose,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1COC(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O)C1O	3019.4	Semi standard non polar	33892256
Arabinopyranobiose,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O	3008.4	Semi standard non polar	33892256
Arabinopyranobiose,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C	3003.8	Semi standard non polar	33892256
Arabinopyranobiose,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)COC(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	3204.7	Semi standard non polar	33892256
Arabinopyranobiose,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3172.5	Semi standard non polar	33892256
Arabinopyranobiose,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1COC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O)C1O	3165.5	Semi standard non polar	33892256
Arabinopyranobiose,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1COC(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O	3183.7	Semi standard non polar	33892256
Arabinopyranobiose,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1COC(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C	3184.2	Semi standard non polar	33892256
Arabinopyranobiose,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1COC(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O	3182.5	Semi standard non polar	33892256
Arabinopyranobiose,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1COC(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C	3157.9	Semi standard non polar	33892256
Arabinopyranobiose,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3164.0	Semi standard non polar	33892256
Arabinopyranobiose,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O	3176.9	Semi standard non polar	33892256
Arabinopyranobiose,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1O[Si](C)(C)C(C)(C)C	3179.2	Semi standard non polar	33892256
Arabinopyranobiose,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3176.2	Semi standard non polar	33892256
Arabinopyranobiose,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)COC(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3194.6	Semi standard non polar	33892256
Arabinopyranobiose,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(O)COC(O)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3170.5	Semi standard non polar	33892256
Arabinopyranobiose,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)COC(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3186.2	Semi standard non polar	33892256
Arabinopyranobiose,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3189.6	Semi standard non polar	33892256
Arabinopyranobiose,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3194.7	Semi standard non polar	33892256
Arabinopyranobiose,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3196.8	Semi standard non polar	33892256
Arabinopyranobiose,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3191.5	Semi standard non polar	33892256
Arabinopyranobiose,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3185.6	Semi standard non polar	33892256
Arabinopyranobiose,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3187.0	Semi standard non polar	33892256
Arabinopyranobiose,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)COC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3335.2	Semi standard non polar	33892256
Arabinopyranobiose,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3366.0	Semi standard non polar	33892256
Arabinopyranobiose,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1COC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O	3331.2	Semi standard non polar	33892256
Arabinopyranobiose,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1COC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C	3306.5	Semi standard non polar	33892256
Arabinopyranobiose,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1COC(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3361.7	Semi standard non polar	33892256
Arabinopyranobiose,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1COC(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3364.8	Semi standard non polar	33892256
Arabinopyranobiose,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1OCC(O)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3367.8	Semi standard non polar	33892256
Arabinopyranobiose,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)COC(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3378.9	Semi standard non polar	33892256
Arabinopyranobiose,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1COC(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3371.9	Semi standard non polar	33892256
Arabinopyranobiose,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)COC(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3371.6	Semi standard non polar	33892256
Arabinopyranobiose,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)COC(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3379.6	Semi standard non polar	33892256
Arabinopyranobiose,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1COC(O)C(O)C1OC1OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3344.5	Semi standard non polar	33892256
Arabinopyranobiose,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3380.1	Semi standard non polar	33892256
Arabinopyranobiose,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3372.6	Semi standard non polar	33892256
Arabinopyranobiose,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3360.8	Semi standard non polar	33892256
Arabinopyranobiose,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)COC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3467.5	Semi standard non polar	33892256
Arabinopyranobiose,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O[Si](C)(C)C(C)(C)C)COC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3468.2	Semi standard non polar	33892256
Arabinopyranobiose,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1COC(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3481.8	Semi standard non polar	33892256
Arabinopyranobiose,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1COC(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3485.7	Semi standard non polar	33892256
Arabinopyranobiose,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)COC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3493.4	Semi standard non polar	33892256
Arabinopyranobiose,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1COC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3455.7	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 - Arabinopyranobiose GC-MS (Non-derivatized) - 70eV, Positive	splash10-0ht9-3390000000-921535b98919991732d9	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinopyranobiose GC-MS (5 TMS) - 70eV, Positive	splash10-004i-2221039000-748dac76fe8cbe218663	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinopyranobiose 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 - Arabinopyranobiose 10V, Positive-QTOF	splash10-00lr-0490000000-58d396d2d0abdb619126	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinopyranobiose 20V, Positive-QTOF	splash10-00lr-0950000000-a6defa13680b0e88a58e	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinopyranobiose 40V, Positive-QTOF	splash10-0fz9-8910000000-741a37a11e228626248c	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinopyranobiose 10V, Negative-QTOF	splash10-001i-1290000000-ca740044f4ed4e06f23c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinopyranobiose 20V, Negative-QTOF	splash10-01qa-2950000000-61f0446990b7e5188a42	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinopyranobiose 40V, Negative-QTOF	splash10-0006-9300000000-59517e35a27fadf06fc3	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinopyranobiose 10V, Positive-QTOF	splash10-00lr-0590000000-7d310c7a4465ede9840e	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinopyranobiose 20V, Positive-QTOF	splash10-02au-9700000000-454a5715c6b6cf4a9a5b	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinopyranobiose 40V, Positive-QTOF	splash10-014i-7900000000-cd5895098bbaadb6826e	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinopyranobiose 10V, Negative-QTOF	splash10-001i-1980000000-d84c0836a79b8d60af35	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinopyranobiose 20V, Negative-QTOF	splash10-0a4l-9520000000-3befc69a6f63d08b4b3f	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinopyranobiose 40V, Negative-QTOF	splash10-052f-9200000000-81696d4b6e4733a5e354	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

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

FDB000789

KNApSAcK ID

C00054672

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

12442732

PDB ID

Not Available

ChEBI ID

174682

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1810651

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 Arabinopyranobiose (HMDB0029619)

MOL for HMDB0029619 (Arabinopyranobiose)

3D MOL for HMDB0029619 (Arabinopyranobiose)

3D SDF for HMDB0029619 (Arabinopyranobiose)

3D-SDF for HMDB0029619 (Arabinopyranobiose)

PDB for HMDB0029619 (Arabinopyranobiose)

3D PDB for HMDB0029619 (Arabinopyranobiose)

SMILES for HMDB0029619 (Arabinopyranobiose)

INCHI for HMDB0029619 (Arabinopyranobiose)

Structure for HMDB0029619 (Arabinopyranobiose)

3D Structure for HMDB0029619 (Arabinopyranobiose)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra