Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:33:31 UTC

Update Date

2022-03-07 02:52:21 UTC

HMDB ID

HMDB0029918

Secondary Accession Numbers

HMDB29918

Metabolite Identification

Common Name

Arabinofuranobiose

Description

Arabinofuranobiose 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 a significant number of articles have been published on Arabinofuranobiose.

Structure

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

HMDB0029918
     RDKit          3D
Arabinofuranobiose
 37 38  0  0  0  0  0  0  0  0999 V2000
   -3.4568   -0.6811   -2.4582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -0.8915   -1.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0453    0.4055   -0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9028    1.0381   -0.8323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8960    0.5488   -0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3450    1.0241   -0.2636 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3239    0.1207   -0.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3947    0.2119    0.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2785   -0.8814    1.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2766   -0.6806    2.4470 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6119    0.1846   -0.1254 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914    0.1265   -1.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8174   -1.1093   -2.0361 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0997    0.5591   -1.8214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7038   -0.1250   -2.9612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4654    0.7990    1.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7714    2.1251    1.5658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8252    0.1112    1.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7993    0.6230    1.9278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6075    0.2587   -2.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1807   -1.3935   -0.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4434   -1.5942   -0.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9601    1.0122   -0.4735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8804   -0.5596   -0.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9992   -0.9215   -0.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172    1.1842    1.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2974   -0.8337    2.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4474   -1.8887    1.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1425   -0.4558    2.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1854    0.8904   -1.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4134   -1.6354   -1.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0093    1.6523   -1.9260 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0410   -0.8060   -2.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9073    0.3122    2.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6775    2.2841    2.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6666   -0.9788    1.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4271   -0.0354    2.2868 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
  8 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  3  1  0
 14  7  1  0
  1 20  1  0
  2 21  1  0
  2 22  1  0
  3 23  1  0
  5 24  1  0
  7 25  1  0
  8 26  1  0
  9 27  1  0
  9 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 02241215212D          

 19 20  0  0  0  0            999 V2000
    1.8561   -1.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0307   -1.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5355   -1.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062   -1.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062   -0.7835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5355   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7835    0.2883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2883    0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533    1.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2883    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8656    1.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5363    0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0307    0.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8561    0.2054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8656   -2.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7835   -2.9286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8656   -2.5992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3712    2.9286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1958    2.0203    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
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  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
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029918

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2C(O)C(O)OC2CO)C(O)C1O

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

> <INCHI_KEY>
ODBYQUUVPXHMFN-UHFFFAOYSA-N

> <FORMULA>
C10H18O9

> <MOLECULAR_WEIGHT>
282.2445

> <EXACT_MASS>
282.095082174

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
26.297994097414943

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}-5-(hydroxymethyl)oxolane-3,4-diol

> <ALOGPS_LOGP>
-2.99

> <JCHEM_LOGP>
-3.442704979666666

> <ALOGPS_LOGS>
0.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.275953558189272

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.268026662308534

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9811434809033672

> <JCHEM_POLAR_SURFACE_AREA>
149.07

> <JCHEM_REFRACTIVITY>
56.411699999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.06e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{[4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}-5-(hydroxymethyl)oxolane-3,4-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029918
     RDKit          3D
Arabinofuranobiose
 37 38  0  0  0  0  0  0  0  0999 V2000
   -3.4568   -0.6811   -2.4582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -0.8915   -1.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0453    0.4055   -0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9028    1.0381   -0.8323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8960    0.5488   -0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3450    1.0241   -0.2636 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3239    0.1207   -0.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3947    0.2119    0.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2785   -0.8814    1.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2766   -0.6806    2.4470 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6119    0.1846   -0.1254 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914    0.1265   -1.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8174   -1.1093   -2.0361 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0997    0.5591   -1.8214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7038   -0.1250   -2.9612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4654    0.7990    1.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7714    2.1251    1.5658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8252    0.1112    1.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7993    0.6230    1.9278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6075    0.2587   -2.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1807   -1.3935   -0.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4434   -1.5942   -0.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9601    1.0122   -0.4735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8804   -0.5596   -0.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9992   -0.9215   -0.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172    1.1842    1.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2974   -0.8337    2.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4474   -1.8887    1.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1425   -0.4558    2.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1854    0.8904   -1.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4134   -1.6354   -1.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0093    1.6523   -1.9260 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0410   -0.8060   -2.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9073    0.3122    2.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6775    2.2841    2.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6666   -0.9788    1.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4271   -0.0354    2.2868 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
  8 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  3  1  0
 14  7  1  0
  1 20  1  0
  2 21  1  0
  2 22  1  0
  3 23  1  0
  5 24  1  0
  7 25  1  0
  8 26  1  0
  9 27  1  0
  9 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                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0       3.465  -2.233   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.924  -2.233   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.000  -3.465   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.385  -3.003   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -0.385  -1.463   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       1.000  -1.001   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       1.463   0.538   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       0.538   1.616   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.846   3.157   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.538   3.926   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -1.616   3.002   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -1.001   1.616   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.924   0.230   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -3.465   0.383   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -1.616  -3.927   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -1.463  -5.467   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       1.616  -4.852   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -0.693   5.467   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       2.232   3.771   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    6                                                  
CONECT    3    2    4   17                                                  
CONECT    4    3    5   15                                                  
CONECT    5    4    6                                                       
CONECT    6    2    5    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   12                                                  
CONECT    9    8   10   19                                                  
CONECT   10    9   11   18                                                  
CONECT   11   10   12                                                       
CONECT   12    8   11   13                                                  
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15    4   16                                                       
CONECT   16   15                                                            
CONECT   17    3                                                            
CONECT   18   10                                                            
CONECT   19    9                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   40    0
END

COMPND    HMDB0029918
HETATM    1  O1  UNL     1      -3.457  -0.681  -2.458  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.283  -0.892  -1.113  1.00  0.00           C  
HETATM    3  C2  UNL     1      -3.045   0.405  -0.351  1.00  0.00           C  
HETATM    4  O2  UNL     1      -1.903   1.038  -0.832  1.00  0.00           O  
HETATM    5  C3  UNL     1      -0.896   0.549  -0.040  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.345   1.024  -0.264  1.00  0.00           O  
HETATM    7  C4  UNL     1       1.324   0.121  -0.588  1.00  0.00           C  
HETATM    8  C5  UNL     1       2.395   0.212   0.476  1.00  0.00           C  
HETATM    9  C6  UNL     1       2.279  -0.881   1.496  1.00  0.00           C  
HETATM   10  O4  UNL     1       3.277  -0.681   2.447  1.00  0.00           O  
HETATM   11  O5  UNL     1       3.612   0.185  -0.125  1.00  0.00           O  
HETATM   12  C7  UNL     1       3.491   0.126  -1.480  1.00  0.00           C  
HETATM   13  O6  UNL     1       3.817  -1.109  -2.036  1.00  0.00           O  
HETATM   14  C8  UNL     1       2.100   0.559  -1.821  1.00  0.00           C  
HETATM   15  O7  UNL     1       1.704  -0.125  -2.961  1.00  0.00           O  
HETATM   16  C9  UNL     1      -1.465   0.799   1.335  1.00  0.00           C  
HETATM   17  O8  UNL     1      -1.771   2.125   1.566  1.00  0.00           O  
HETATM   18  C10 UNL     1      -2.825   0.111   1.106  1.00  0.00           C  
HETATM   19  O9  UNL     1      -3.799   0.623   1.928  1.00  0.00           O  
HETATM   20  H1  UNL     1      -3.608   0.259  -2.713  1.00  0.00           H  
HETATM   21  H2  UNL     1      -4.181  -1.393  -0.693  1.00  0.00           H  
HETATM   22  H3  UNL     1      -2.443  -1.594  -0.974  1.00  0.00           H  
HETATM   23  H4  UNL     1      -3.960   1.012  -0.474  1.00  0.00           H  
HETATM   24  H5  UNL     1      -0.880  -0.560  -0.173  1.00  0.00           H  
HETATM   25  H6  UNL     1       0.999  -0.921  -0.637  1.00  0.00           H  
HETATM   26  H7  UNL     1       2.317   1.184   1.044  1.00  0.00           H  
HETATM   27  H8  UNL     1       1.297  -0.834   2.015  1.00  0.00           H  
HETATM   28  H9  UNL     1       2.447  -1.889   1.058  1.00  0.00           H  
HETATM   29  H10 UNL     1       4.143  -0.456   2.009  1.00  0.00           H  
HETATM   30  H11 UNL     1       4.185   0.890  -1.933  1.00  0.00           H  
HETATM   31  H12 UNL     1       4.413  -1.635  -1.453  1.00  0.00           H  
HETATM   32  H13 UNL     1       2.009   1.652  -1.926  1.00  0.00           H  
HETATM   33  H14 UNL     1       1.041  -0.806  -2.685  1.00  0.00           H  
HETATM   34  H15 UNL     1      -0.907   0.312   2.139  1.00  0.00           H  
HETATM   35  H16 UNL     1      -1.677   2.284   2.536  1.00  0.00           H  
HETATM   36  H17 UNL     1      -2.667  -0.979   1.235  1.00  0.00           H  
HETATM   37  H18 UNL     1      -4.427  -0.035   2.287  1.00  0.00           H  
CONECT    1    2   20
CONECT    2    3   21   22
CONECT    3    4   18   23
CONECT    4    5
CONECT    5    6   16   24
CONECT    6    7
CONECT    7    8   14   25
CONECT    8    9   11   26
CONECT    9   10   27   28
CONECT   10   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

HMDB0029918
     RDKit          3D
Arabinofuranobiose
 37 38  0  0  0  0  0  0  0  0999 V2000
   -3.4568   -0.6811   -2.4582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -0.8915   -1.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0453    0.4055   -0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9028    1.0381   -0.8323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8960    0.5488   -0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3450    1.0241   -0.2636 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3239    0.1207   -0.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3947    0.2119    0.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2785   -0.8814    1.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2766   -0.6806    2.4470 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6119    0.1846   -0.1254 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914    0.1265   -1.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8174   -1.1093   -2.0361 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0997    0.5591   -1.8214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7038   -0.1250   -2.9612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4654    0.7990    1.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7714    2.1251    1.5658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8252    0.1112    1.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7993    0.6230    1.9278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6075    0.2587   -2.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1807   -1.3935   -0.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4434   -1.5942   -0.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9601    1.0122   -0.4735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8804   -0.5596   -0.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9992   -0.9215   -0.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172    1.1842    1.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2974   -0.8337    2.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4474   -1.8887    1.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1425   -0.4558    2.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1854    0.8904   -1.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4134   -1.6354   -1.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0093    1.6523   -1.9260 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0410   -0.8060   -2.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9073    0.3122    2.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6775    2.2841    2.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6666   -0.9788    1.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4271   -0.0354    2.2868 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
  8 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  3  1  0
 14  7  1  0
  1 20  1  0
  2 21  1  0
  2 22  1  0
  3 23  1  0
  5 24  1  0
  7 25  1  0
  8 26  1  0
  9 27  1  0
  9 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

Not Available

Chemical Formula

C₁₀H₁₈O₉

Average Molecular Weight

282.2445

Monoisotopic Molecular Weight

282.095082174

IUPAC Name

2-{[4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}-5-(hydroxymethyl)oxolane-3,4-diol

Traditional Name

2-{[4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}-5-(hydroxymethyl)oxolane-3,4-diol

CAS Registry Number

52287-00-0

SMILES

OCC1OC(OC2C(O)C(O)OC2CO)C(O)C1O

InChI Identifier

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

InChI Key

ODBYQUUVPXHMFN-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
Tetrahydrofuran
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0029918)
Cytoplasm (HMDB: HMDB0029918)

Source

Endogenous

Endogenous (HMDB: HMDB0029918)

Exogenous

Food

Food (HMDB: HMDB0029918)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	651 °C	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	606 g/L	ALOGPS
logP	-3	ALOGPS
logP	-3.4	ChemAxon
logS	0.33	ALOGPS
pKa (Strongest Acidic)	11.27	ChemAxon
pKa (Strongest Basic)	-3	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	4	ChemAxon
Refractivity	56.41 m³·mol⁻¹	ChemAxon
Polarizability	26.3 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]+	163.47	31661259
DarkChem	[M-H]-	159.167	31661259
DeepCCS	[M+H]+	155.307	30932474
DeepCCS	[M-H]-	152.949	30932474
DeepCCS	[M-2H]-	186.162	30932474
DeepCCS	[M+Na]+	161.4	30932474
AllCCS	[M+H]+	164.5	32859911
AllCCS	[M+H-H2O]+	161.1	32859911
AllCCS	[M+NH4]+	167.7	32859911
AllCCS	[M+Na]+	168.6	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
Arabinofuranobiose	OCC1OC(OC2C(O)C(O)OC2CO)C(O)C1O	3778.0	Standard polar	33892256
Arabinofuranobiose	OCC1OC(OC2C(O)C(O)OC2CO)C(O)C1O	2498.1	Standard non polar	33892256
Arabinofuranobiose	OCC1OC(OC2C(O)C(O)OC2CO)C(O)C1O	2388.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Arabinofuranobiose,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C2O)C(O)C1O	2515.5	Semi standard non polar	33892256
Arabinofuranobiose,1TMS,isomer #2	C[Si](C)(C)OC1C(O)OC(CO)C1OC1OC(CO)C(O)C1O	2508.3	Semi standard non polar	33892256
Arabinofuranobiose,1TMS,isomer #3	C[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O)C2O)C1O	2488.7	Semi standard non polar	33892256
Arabinofuranobiose,1TMS,isomer #4	C[Si](C)(C)OCC1OC(O)C(O)C1OC1OC(CO)C(O)C1O	2502.8	Semi standard non polar	33892256
Arabinofuranobiose,1TMS,isomer #5	C[Si](C)(C)OC1C(OC2C(CO)OC(O)C2O)OC(CO)C1O	2509.5	Semi standard non polar	33892256
Arabinofuranobiose,1TMS,isomer #6	C[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(O)C2O)C1O	2497.8	Semi standard non polar	33892256
Arabinofuranobiose,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C2O)C(O)C1O	2523.7	Semi standard non polar	33892256
Arabinofuranobiose,2TMS,isomer #10	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C1O	2515.3	Semi standard non polar	33892256
Arabinofuranobiose,2TMS,isomer #11	C[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O[Si](C)(C)C)C2O)C1O	2499.5	Semi standard non polar	33892256
Arabinofuranobiose,2TMS,isomer #12	C[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O)C2O[Si](C)(C)C)C1O	2507.5	Semi standard non polar	33892256
Arabinofuranobiose,2TMS,isomer #13	C[Si](C)(C)OCC1OC(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C1O	2503.9	Semi standard non polar	33892256
Arabinofuranobiose,2TMS,isomer #14	C[Si](C)(C)OCC1OC(O)C(O)C1OC1OC(CO)C(O)C1O[Si](C)(C)C	2515.5	Semi standard non polar	33892256
Arabinofuranobiose,2TMS,isomer #15	C[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(O)C2O)C1O[Si](C)(C)C	2490.7	Semi standard non polar	33892256
Arabinofuranobiose,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C2O)C(O)C1O	2515.1	Semi standard non polar	33892256
Arabinofuranobiose,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C2O[Si](C)(C)C)C(O)C1O	2528.0	Semi standard non polar	33892256
Arabinofuranobiose,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C2O)C(O[Si](C)(C)C)C1O	2518.5	Semi standard non polar	33892256
Arabinofuranobiose,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C2O)C(O)C1O[Si](C)(C)C	2499.1	Semi standard non polar	33892256
Arabinofuranobiose,2TMS,isomer #6	C[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O)C2O)C1O[Si](C)(C)C	2496.8	Semi standard non polar	33892256
Arabinofuranobiose,2TMS,isomer #7	C[Si](C)(C)OCC1OC(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C1O	2525.5	Semi standard non polar	33892256
Arabinofuranobiose,2TMS,isomer #8	C[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(O)C2O[Si](C)(C)C)C1O	2507.7	Semi standard non polar	33892256
Arabinofuranobiose,2TMS,isomer #9	C[Si](C)(C)OC1C(OC2C(CO)OC(O)C2O[Si](C)(C)C)OC(CO)C1O	2517.7	Semi standard non polar	33892256
Arabinofuranobiose,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C2O)C(O)C1O	2486.7	Semi standard non polar	33892256
Arabinofuranobiose,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2454.3	Semi standard non polar	33892256
Arabinofuranobiose,3TMS,isomer #11	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C1O	2454.7	Semi standard non polar	33892256
Arabinofuranobiose,3TMS,isomer #12	C[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C	2466.9	Semi standard non polar	33892256
Arabinofuranobiose,3TMS,isomer #13	C[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C	2474.4	Semi standard non polar	33892256
Arabinofuranobiose,3TMS,isomer #14	C[Si](C)(C)OCC1OC(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C1O	2485.2	Semi standard non polar	33892256
Arabinofuranobiose,3TMS,isomer #15	C[Si](C)(C)OCC1OC(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C1O[Si](C)(C)C	2499.0	Semi standard non polar	33892256
Arabinofuranobiose,3TMS,isomer #16	C[Si](C)(C)OC1C(O)OC(CO)C1OC1OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2479.2	Semi standard non polar	33892256
Arabinofuranobiose,3TMS,isomer #17	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C1O	2474.2	Semi standard non polar	33892256
Arabinofuranobiose,3TMS,isomer #18	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C1O[Si](C)(C)C	2484.3	Semi standard non polar	33892256
Arabinofuranobiose,3TMS,isomer #19	C[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	2467.4	Semi standard non polar	33892256
Arabinofuranobiose,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C2O[Si](C)(C)C)C(O)C1O	2504.0	Semi standard non polar	33892256
Arabinofuranobiose,3TMS,isomer #20	C[Si](C)(C)OCC1OC(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2475.5	Semi standard non polar	33892256
Arabinofuranobiose,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C2O)C(O[Si](C)(C)C)C1O	2493.1	Semi standard non polar	33892256
Arabinofuranobiose,3TMS,isomer #4	C[Si](C)(C)OCC1OC(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2476.2	Semi standard non polar	33892256
Arabinofuranobiose,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	2474.3	Semi standard non polar	33892256
Arabinofuranobiose,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	2475.8	Semi standard non polar	33892256
Arabinofuranobiose,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	2462.4	Semi standard non polar	33892256
Arabinofuranobiose,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2500.5	Semi standard non polar	33892256
Arabinofuranobiose,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2484.6	Semi standard non polar	33892256
Arabinofuranobiose,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	2407.2	Semi standard non polar	33892256
Arabinofuranobiose,4TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2430.5	Semi standard non polar	33892256
Arabinofuranobiose,4TMS,isomer #11	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C1O	2409.8	Semi standard non polar	33892256
Arabinofuranobiose,4TMS,isomer #12	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C1O[Si](C)(C)C	2417.6	Semi standard non polar	33892256
Arabinofuranobiose,4TMS,isomer #13	C[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O[Si](C)(C)C	2423.6	Semi standard non polar	33892256
Arabinofuranobiose,4TMS,isomer #14	C[Si](C)(C)OCC1OC(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2445.0	Semi standard non polar	33892256
Arabinofuranobiose,4TMS,isomer #15	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2423.5	Semi standard non polar	33892256
Arabinofuranobiose,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	2434.9	Semi standard non polar	33892256
Arabinofuranobiose,4TMS,isomer #3	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2424.9	Semi standard non polar	33892256
Arabinofuranobiose,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2453.6	Semi standard non polar	33892256
Arabinofuranobiose,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2444.3	Semi standard non polar	33892256
Arabinofuranobiose,4TMS,isomer #6	C[Si](C)(C)OCC1OC(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2427.2	Semi standard non polar	33892256
Arabinofuranobiose,4TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2422.1	Semi standard non polar	33892256
Arabinofuranobiose,4TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2411.8	Semi standard non polar	33892256
Arabinofuranobiose,4TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2398.6	Semi standard non polar	33892256
Arabinofuranobiose,5TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2349.9	Semi standard non polar	33892256
Arabinofuranobiose,5TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2337.3	Semi standard non polar	33892256
Arabinofuranobiose,5TMS,isomer #3	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2347.9	Semi standard non polar	33892256
Arabinofuranobiose,5TMS,isomer #4	C[Si](C)(C)OCC1OC(O)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2374.2	Semi standard non polar	33892256
Arabinofuranobiose,5TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2342.6	Semi standard non polar	33892256
Arabinofuranobiose,5TMS,isomer #6	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2337.5	Semi standard non polar	33892256
Arabinofuranobiose,6TMS,isomer #1	C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2311.1	Semi standard non polar	33892256
Arabinofuranobiose,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C2O)C(O)C1O	2758.4	Semi standard non polar	33892256
Arabinofuranobiose,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(O)OC(CO)C1OC1OC(CO)C(O)C1O	2753.3	Semi standard non polar	33892256
Arabinofuranobiose,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O)C2O)C1O	2739.9	Semi standard non polar	33892256
Arabinofuranobiose,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(O)C(O)C1OC1OC(CO)C(O)C1O	2746.9	Semi standard non polar	33892256
Arabinofuranobiose,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(OC2C(CO)OC(O)C2O)OC(CO)C1O	2756.6	Semi standard non polar	33892256
Arabinofuranobiose,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(O)C2O)C1O	2751.7	Semi standard non polar	33892256
Arabinofuranobiose,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O)C2O)C(O)C1O	2973.5	Semi standard non polar	33892256
Arabinofuranobiose,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(CO)C(O)C1O	2977.3	Semi standard non polar	33892256
Arabinofuranobiose,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	2967.9	Semi standard non polar	33892256
Arabinofuranobiose,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	2972.5	Semi standard non polar	33892256
Arabinofuranobiose,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	2968.2	Semi standard non polar	33892256
Arabinofuranobiose,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(O)C(O)C1OC1OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	2970.9	Semi standard non polar	33892256
Arabinofuranobiose,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(O)C2O)C1O[Si](C)(C)C(C)(C)C	2964.3	Semi standard non polar	33892256
Arabinofuranobiose,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	2972.9	Semi standard non polar	33892256
Arabinofuranobiose,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	2982.2	Semi standard non polar	33892256
Arabinofuranobiose,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	2973.3	Semi standard non polar	33892256
Arabinofuranobiose,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	2966.1	Semi standard non polar	33892256
Arabinofuranobiose,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O)C2O)C1O[Si](C)(C)C(C)(C)C	2979.9	Semi standard non polar	33892256
Arabinofuranobiose,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(CO)C(O)C1O	2981.9	Semi standard non polar	33892256
Arabinofuranobiose,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(O)C2O[Si](C)(C)C(C)(C)C)C1O	2980.0	Semi standard non polar	33892256
Arabinofuranobiose,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(OC2C(CO)OC(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C1O	2980.6	Semi standard non polar	33892256
Arabinofuranobiose,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	3189.3	Semi standard non polar	33892256
Arabinofuranobiose,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3157.8	Semi standard non polar	33892256
Arabinofuranobiose,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(CO)C(O)C1O	3176.4	Semi standard non polar	33892256
Arabinofuranobiose,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C1O[Si](C)(C)C(C)(C)C	3154.0	Semi standard non polar	33892256
Arabinofuranobiose,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3160.8	Semi standard non polar	33892256
Arabinofuranobiose,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	3174.7	Semi standard non polar	33892256
Arabinofuranobiose,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3179.4	Semi standard non polar	33892256
Arabinofuranobiose,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1C(O)OC(CO)C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3146.2	Semi standard non polar	33892256
Arabinofuranobiose,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	3170.4	Semi standard non polar	33892256
Arabinofuranobiose,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3178.1	Semi standard non polar	33892256
Arabinofuranobiose,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1OC(CO)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O	3147.2	Semi standard non polar	33892256
Arabinofuranobiose,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3188.8	Semi standard non polar	33892256
Arabinofuranobiose,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3163.0	Semi standard non polar	33892256
Arabinofuranobiose,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3181.9	Semi standard non polar	33892256
Arabinofuranobiose,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(O)C(O)C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3176.8	Semi standard non polar	33892256
Arabinofuranobiose,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3182.9	Semi standard non polar	33892256
Arabinofuranobiose,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3176.6	Semi standard non polar	33892256
Arabinofuranobiose,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3170.1	Semi standard non polar	33892256
Arabinofuranobiose,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3178.5	Semi standard non polar	33892256
Arabinofuranobiose,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3174.0	Semi standard non polar	33892256
Arabinofuranobiose,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3351.7	Semi standard non polar	33892256
Arabinofuranobiose,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(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	3327.9	Semi standard non polar	33892256
Arabinofuranobiose,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	3318.9	Semi standard non polar	33892256
Arabinofuranobiose,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3328.5	Semi standard non polar	33892256
Arabinofuranobiose,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1OC(CO)C(OC2OC(CO)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	3302.1	Semi standard non polar	33892256
Arabinofuranobiose,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3330.5	Semi standard non polar	33892256
Arabinofuranobiose,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3328.9	Semi standard non polar	33892256
Arabinofuranobiose,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3359.3	Semi standard non polar	33892256
Arabinofuranobiose,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3352.0	Semi standard non polar	33892256
Arabinofuranobiose,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3365.3	Semi standard non polar	33892256
Arabinofuranobiose,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3360.2	Semi standard non polar	33892256
Arabinofuranobiose,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(O)C(O)C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3347.5	Semi standard non polar	33892256
Arabinofuranobiose,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(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	3337.4	Semi standard non polar	33892256
Arabinofuranobiose,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(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	3332.2	Semi standard non polar	33892256
Arabinofuranobiose,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(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	3313.8	Semi standard non polar	33892256
Arabinofuranobiose,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(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	3465.8	Semi standard non polar	33892256
Arabinofuranobiose,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(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	3457.9	Semi standard non polar	33892256
Arabinofuranobiose,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3470.6	Semi standard non polar	33892256
Arabinofuranobiose,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3476.6	Semi standard non polar	33892256
Arabinofuranobiose,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(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	3418.8	Semi standard non polar	33892256
Arabinofuranobiose,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3410.0	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 - Arabinofuranobiose GC-MS (Non-derivatized) - 70eV, Positive	splash10-0229-9280000000-77e1f2f44dcba7ab4b06	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranobiose GC-MS (5 TMS) - 70eV, Positive	splash10-004i-3410159000-ecf7c60e51cbc9266929	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranobiose GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Arabinofuranobiose 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 - Arabinofuranobiose 10V, Positive-QTOF	splash10-0f89-1970000000-a560b3b69906cb471ed1	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinofuranobiose 20V, Positive-QTOF	splash10-0f89-0910000000-b7b8496d25a219e9f4f8	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinofuranobiose 40V, Positive-QTOF	splash10-001i-7900000000-2b2a945e668dfebf22bc	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinofuranobiose 10V, Negative-QTOF	splash10-001i-1690000000-5133ac5793505a4a266c	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinofuranobiose 20V, Negative-QTOF	splash10-001j-1920000000-7251adb4420613372a73	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinofuranobiose 40V, Negative-QTOF	splash10-0f8a-3900000000-e4dcc58145b73dc63cf9	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinofuranobiose 10V, Positive-QTOF	splash10-001i-0590000000-acd20f6c4ab0fc87f8a9	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinofuranobiose 20V, Positive-QTOF	splash10-00lr-3960000000-e4e328b42395b1f29e92	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinofuranobiose 40V, Positive-QTOF	splash10-0aor-9300000000-b444f31f59b1235ed23c	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinofuranobiose 10V, Negative-QTOF	splash10-01q9-1890000000-75f54b53d34a17da902d	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinofuranobiose 20V, Negative-QTOF	splash10-0kec-6920000000-1816617158d8dc067b8f	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arabinofuranobiose 40V, Negative-QTOF	splash10-052f-9300000000-366da147dd111d9f1d69	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	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

FDB001174

KNApSAcK ID

Not Available

Chemspider ID

35013098

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131750924

PDB ID

Not Available

ChEBI ID

174683

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 Arabinofuranobiose (HMDB0029918)

MOL for HMDB0029918 (Arabinofuranobiose)

3D MOL for HMDB0029918 (Arabinofuranobiose)

3D SDF for HMDB0029918 (Arabinofuranobiose)

3D-SDF for HMDB0029918 (Arabinofuranobiose)

PDB for HMDB0029918 (Arabinofuranobiose)

3D PDB for HMDB0029918 (Arabinofuranobiose)

SMILES for HMDB0029918 (Arabinofuranobiose)

INCHI for HMDB0029918 (Arabinofuranobiose)

Structure for HMDB0029918 (Arabinofuranobiose)

3D Structure for HMDB0029918 (Arabinofuranobiose)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra