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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:52:42 UTC

Update Date

2022-03-07 02:53:30 UTC

HMDB ID

HMDB0032924

Secondary Accession Numbers

HMDB32924

Metabolite Identification

Common Name

3-Furanmethanol glucoside

Description

3-Furanmethanol glucoside 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. 3-Furanmethanol glucoside has been detected, but not quantified in, pulses. This could make 3-furanmethanol glucoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 3-Furanmethanol glucoside.

Structure

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

HMDB0032924
     RDKit          3D
3-Furanmethanol glucoside
 34 35  0  0  0  0  0  0  0  0999 V2000
   -1.9543    2.7307   -0.3800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0300    1.7932    0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8329    0.7877    0.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0797   -0.2031    1.4963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3066   -0.8566    0.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8802   -0.2160    0.2575 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.8780    0.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1960   -0.0808    0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1882    1.1294   -0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960    1.5196   -0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2629    0.5850   -0.1169 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5449   -0.3701    0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1007   -1.3266   -0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8683   -2.6820   -0.8727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5702   -1.2357   -0.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7646   -1.9321    0.9590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9571    0.2193    0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1622    0.8993   -1.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2140    3.3834    0.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4306    1.4179   -0.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4131    2.3851    0.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3197    1.3500    1.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0415   -1.8095    1.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0691   -1.9251    0.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0440   -0.9411    1.7647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3324    1.7122   -0.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9036    2.3915   -1.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9103   -1.2503    0.8864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8973   -0.7622   -1.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5150   -3.1600   -0.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2015   -1.5769   -1.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6517   -1.6303    1.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8566    0.1706    0.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7600    0.3614   -1.8509 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  2  0
 10 11  1  0
 11 12  1  0
  5 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17  3  1  0
 12  8  2  0
  1 19  1  0
  2 20  1  0
  2 21  1  0
  3 22  1  0
  5 23  1  0
  7 24  1  0
  7 25  1  0
  9 26  1  0
 10 27  1  0
 12 28  1  0
 13 29  1  0
 14 30  1  0
 15 31  1  0
 16 32  1  0
 17 33  1  0
 18 34  1  0
M  END


  Mrv0541 05061306482D          

 18 19  0  0  0  0            999 V2000
    0.7615    4.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    3.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    8.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0964    4.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    8.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    8.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    8.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    9.2411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    9.2411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    8.4161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    6.7661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    3.4340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    5.9411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    7.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  6  1  1  0  0  0  0
  6  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16  2  1  0  0  0  0
 16  4  1  0  0  0  0
 17  5  1  0  0  0  0
 17 11  1  0  0  0  0
 18  7  1  0  0  0  0
 18 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0032924

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OCC2=COC=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C11H16O7/c12-3-7-8(13)9(14)10(15)11(18-7)17-5-6-1-2-16-4-6/h1-2,4,7-15H,3,5H2

> <INCHI_KEY>
SPFOGLIFWSAONR-UHFFFAOYSA-N

> <FORMULA>
C11H16O7

> <MOLECULAR_WEIGHT>
260.2405

> <EXACT_MASS>
260.089602866

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
25.123551801201792

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(furan-3-ylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-1.28

> <JCHEM_LOGP>
-1.4246940766666667

> <ALOGPS_LOGS>
-0.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.200064008498774

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.210494415421943

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083553661543

> <JCHEM_POLAR_SURFACE_AREA>
112.52000000000001

> <JCHEM_REFRACTIVITY>
57.80060000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.78e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(furan-3-ylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0032924
     RDKit          3D
3-Furanmethanol glucoside
 34 35  0  0  0  0  0  0  0  0999 V2000
   -1.9543    2.7307   -0.3800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0300    1.7932    0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8329    0.7877    0.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0797   -0.2031    1.4963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3066   -0.8566    0.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8802   -0.2160    0.2575 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.8780    0.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1960   -0.0808    0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1882    1.1294   -0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960    1.5196   -0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2629    0.5850   -0.1169 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5449   -0.3701    0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1007   -1.3266   -0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8683   -2.6820   -0.8727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5702   -1.2357   -0.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7646   -1.9321    0.9590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9571    0.2193    0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1622    0.8993   -1.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2140    3.3834    0.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4306    1.4179   -0.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4131    2.3851    0.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3197    1.3500    1.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0415   -1.8095    1.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0691   -1.9251    0.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0440   -0.9411    1.7647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3324    1.7122   -0.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9036    2.3915   -1.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9103   -1.2503    0.8864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8973   -0.7622   -1.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5150   -3.1600   -0.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2015   -1.5769   -1.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6517   -1.6303    1.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8566    0.1706    0.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7600    0.3614   -1.8509 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  2  0
 10 11  1  0
 11 12  1  0
  5 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17  3  1  0
 12  8  2  0
  1 19  1  0
  2 20  1  0
  2 21  1  0
  3 22  1  0
  5 23  1  0
  7 24  1  0
  7 25  1  0
  9 26  1  0
 10 27  1  0
 12 28  1  0
 13 29  1  0
 14 30  1  0
 15 31  1  0
 16 32  1  0
 17 33  1  0
 18 34  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       1.421   7.875   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.897   6.410   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668  15.710   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.913   7.875   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667  10.320   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667   8.780   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335  14.940   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001  15.710   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667  14.940   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667  13.400   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001  12.630   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       6.668  17.250   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       4.001  17.250   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       1.334  15.710   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       1.334  12.630   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       3.437   6.410   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       4.001  11.090   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       5.335  13.400   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1   16                                                       
CONECT    3    7   12                                                       
CONECT    4    6   16                                                       
CONECT    5    6   17                                                       
CONECT    6    1    4    5                                                  
CONECT    7    3    8   18                                                  
CONECT    8    7    9   13                                                  
CONECT    9    8   10   14                                                  
CONECT   10    9   11   15                                                  
CONECT   11   10   17   18                                                  
CONECT   12    3                                                            
CONECT   13    8                                                            
CONECT   14    9                                                            
CONECT   15   10                                                            
CONECT   16    2    4                                                       
CONECT   17    5   11                                                       
CONECT   18    7   11                                                       
MASTER        0    0    0    0    0    0    0    0   18    0   38    0
END

COMPND    HMDB0032924
HETATM    1  O1  UNL     1      -1.954   2.731  -0.380  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.030   1.793   0.145  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.833   0.788   0.902  1.00  0.00           C  
HETATM    4  O2  UNL     1      -1.080  -0.203   1.496  1.00  0.00           O  
HETATM    5  C3  UNL     1      -0.307  -0.857   0.592  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.880  -0.216   0.257  1.00  0.00           O  
HETATM    7  C4  UNL     1       2.017  -0.878   0.638  1.00  0.00           C  
HETATM    8  C5  UNL     1       3.196  -0.081   0.218  1.00  0.00           C  
HETATM    9  C6  UNL     1       3.188   1.129  -0.447  1.00  0.00           C  
HETATM   10  C7  UNL     1       4.496   1.520  -0.642  1.00  0.00           C  
HETATM   11  O4  UNL     1       5.263   0.585  -0.117  1.00  0.00           O  
HETATM   12  C8  UNL     1       4.545  -0.370   0.397  1.00  0.00           C  
HETATM   13  C9  UNL     1      -1.101  -1.327  -0.574  1.00  0.00           C  
HETATM   14  O5  UNL     1      -0.868  -2.682  -0.873  1.00  0.00           O  
HETATM   15  C10 UNL     1      -2.570  -1.236  -0.226  1.00  0.00           C  
HETATM   16  O6  UNL     1      -2.765  -1.932   0.959  1.00  0.00           O  
HETATM   17  C11 UNL     1      -2.957   0.219   0.059  1.00  0.00           C  
HETATM   18  O7  UNL     1      -3.162   0.899  -1.115  1.00  0.00           O  
HETATM   19  H1  UNL     1      -2.214   3.383   0.331  1.00  0.00           H  
HETATM   20  H2  UNL     1      -0.431   1.418  -0.683  1.00  0.00           H  
HETATM   21  H3  UNL     1      -0.413   2.385   0.874  1.00  0.00           H  
HETATM   22  H4  UNL     1      -2.320   1.350   1.747  1.00  0.00           H  
HETATM   23  H5  UNL     1       0.042  -1.809   1.121  1.00  0.00           H  
HETATM   24  H6  UNL     1       2.069  -1.925   0.278  1.00  0.00           H  
HETATM   25  H7  UNL     1       2.044  -0.941   1.765  1.00  0.00           H  
HETATM   26  H8  UNL     1       2.332   1.712  -0.780  1.00  0.00           H  
HETATM   27  H9  UNL     1       4.904   2.392  -1.115  1.00  0.00           H  
HETATM   28  H10 UNL     1       4.910  -1.250   0.886  1.00  0.00           H  
HETATM   29  H11 UNL     1      -0.897  -0.762  -1.524  1.00  0.00           H  
HETATM   30  H12 UNL     1      -0.515  -3.160  -0.092  1.00  0.00           H  
HETATM   31  H13 UNL     1      -3.202  -1.577  -1.051  1.00  0.00           H  
HETATM   32  H14 UNL     1      -3.652  -1.630   1.317  1.00  0.00           H  
HETATM   33  H15 UNL     1      -3.857   0.171   0.673  1.00  0.00           H  
HETATM   34  H16 UNL     1      -2.760   0.361  -1.851  1.00  0.00           H  
CONECT    1    2   19
CONECT    2    3   20   21
CONECT    3    4   17   22
CONECT    4    5
CONECT    5    6   13   23
CONECT    6    7
CONECT    7    8   24   25
CONECT    8    9   12   12
CONECT    9   10   10   26
CONECT   10   11   27
CONECT   11   12
CONECT   12   28
CONECT   13   14   15   29
CONECT   14   30
CONECT   15   16   17   31
CONECT   16   32
CONECT   17   18   33
CONECT   18   34
END

HMDB0032924
     RDKit          3D
3-Furanmethanol glucoside
 34 35  0  0  0  0  0  0  0  0999 V2000
   -1.9543    2.7307   -0.3800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0300    1.7932    0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8329    0.7877    0.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0797   -0.2031    1.4963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3066   -0.8566    0.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8802   -0.2160    0.2575 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.8780    0.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1960   -0.0808    0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1882    1.1294   -0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960    1.5196   -0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2629    0.5850   -0.1169 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5449   -0.3701    0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1007   -1.3266   -0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8683   -2.6820   -0.8727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5702   -1.2357   -0.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7646   -1.9321    0.9590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9571    0.2193    0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1622    0.8993   -1.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2140    3.3834    0.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4306    1.4179   -0.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4131    2.3851    0.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3197    1.3500    1.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0415   -1.8095    1.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0691   -1.9251    0.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0440   -0.9411    1.7647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3324    1.7122   -0.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9036    2.3915   -1.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9103   -1.2503    0.8864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8973   -0.7622   -1.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5150   -3.1600   -0.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2015   -1.5769   -1.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6517   -1.6303    1.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8566    0.1706    0.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7600    0.3614   -1.8509 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  2  0
 10 11  1  0
 11 12  1  0
  5 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17  3  1  0
 12  8  2  0
  1 19  1  0
  2 20  1  0
  2 21  1  0
  3 22  1  0
  5 23  1  0
  7 24  1  0
  7 25  1  0
  9 26  1  0
 10 27  1  0
 12 28  1  0
 13 29  1  0
 14 30  1  0
 15 31  1  0
 16 32  1  0
 17 33  1  0
 18 34  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
beta-Furfuryl-beta-glucoside	HMDB
3-Furfuryl-beta-glucoside	MeSH

Chemical Formula

C₁₁H₁₆O₇

Average Molecular Weight

260.2405

Monoisotopic Molecular Weight

260.089602866

IUPAC Name

2-(furan-3-ylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

2-(furan-3-ylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

86425-28-7

SMILES

OCC1OC(OCC2=COC=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C11H16O7/c12-3-7-8(13)9(14)10(15)11(18-7)17-5-6-1-2-16-4-6/h1-2,4,7-15H,3,5H2

InChI Key

SPFOGLIFWSAONR-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

Hexose monosaccharide
O-glycosyl compound
Oxane
Monosaccharide
Heteroaromatic compound
Furan
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0032924)
Cytoplasm (HMDB: HMDB0032924)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0032924)

Source

Exogenous

Exogenous (HMDB: HMDB0032924)

Food

Food (HMDB: HMDB0032924)

Pulse

Pulses (FooDB: FOOD00867)

Endogenous

Plant

Fabaceae (HMDB: HMDB0032924)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0032924)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	77.8 g/L	ALOGPS
logP	-1.3	ALOGPS
logP	-1.4	ChemAxon
logS	-0.52	ALOGPS
pKa (Strongest Acidic)	12.21	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	112.52 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	57.8 m³·mol⁻¹	ChemAxon
Polarizability	25.12 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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]+	158.985	31661259
DarkChem	[M-H]-	152.439	31661259
DeepCCS	[M+H]+	155.623	30932474
DeepCCS	[M-H]-	153.265	30932474
DeepCCS	[M-2H]-	186.676	30932474
DeepCCS	[M+Na]+	161.769	30932474
AllCCS	[M+H]+	160.7	32859911
AllCCS	[M+H-H2O]+	157.0	32859911
AllCCS	[M+NH4]+	164.1	32859911
AllCCS	[M+Na]+	165.1	32859911
AllCCS	[M-H]-	157.2	32859911
AllCCS	[M+Na-2H]-	157.2	32859911
AllCCS	[M+HCOO]-	157.3	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	2.05 minutes	32390414
Predicted by Siyang on May 30, 2022	10.0151 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	3.68 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	177.8 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	847.5 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	240.1 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	65.9 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	173.2 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	55.1 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	261.4 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	306.8 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	419.1 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	627.8 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	96.1 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	878.6 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	196.7 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	203.8 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	498.3 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	348.3 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	217.1 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
3-Furanmethanol glucoside	OCC1OC(OCC2=COC=C2)C(O)C(O)C1O	4243.8	Standard polar	33892256
3-Furanmethanol glucoside	OCC1OC(OCC2=COC=C2)C(O)C(O)C1O	2275.3	Standard non polar	33892256
3-Furanmethanol glucoside	OCC1OC(OCC2=COC=C2)C(O)C(O)C1O	2135.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
3-Furanmethanol glucoside,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OCC2=COC=C2)C(O)C(O)C1O	2289.9	Semi standard non polar	33892256
3-Furanmethanol glucoside,1TMS,isomer #2	C[Si](C)(C)OC1C(OCC2=COC=C2)OC(CO)C(O)C1O	2263.9	Semi standard non polar	33892256
3-Furanmethanol glucoside,1TMS,isomer #3	C[Si](C)(C)OC1C(O)C(CO)OC(OCC2=COC=C2)C1O	2255.4	Semi standard non polar	33892256
3-Furanmethanol glucoside,1TMS,isomer #4	C[Si](C)(C)OC1C(CO)OC(OCC2=COC=C2)C(O)C1O	2255.7	Semi standard non polar	33892256
3-Furanmethanol glucoside,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OCC2=COC=C2)C(O[Si](C)(C)C)C(O)C1O	2283.9	Semi standard non polar	33892256
3-Furanmethanol glucoside,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OCC2=COC=C2)C(O)C(O[Si](C)(C)C)C1O	2281.3	Semi standard non polar	33892256
3-Furanmethanol glucoside,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OCC2=COC=C2)C(O)C(O)C1O[Si](C)(C)C	2284.0	Semi standard non polar	33892256
3-Furanmethanol glucoside,2TMS,isomer #4	C[Si](C)(C)OC1C(CO)OC(OCC2=COC=C2)C(O[Si](C)(C)C)C1O	2266.0	Semi standard non polar	33892256
3-Furanmethanol glucoside,2TMS,isomer #5	C[Si](C)(C)OC1C(OCC2=COC=C2)OC(CO)C(O)C1O[Si](C)(C)C	2269.6	Semi standard non polar	33892256
3-Furanmethanol glucoside,2TMS,isomer #6	C[Si](C)(C)OC1C(CO)OC(OCC2=COC=C2)C(O)C1O[Si](C)(C)C	2255.5	Semi standard non polar	33892256
3-Furanmethanol glucoside,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OCC2=COC=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2272.3	Semi standard non polar	33892256
3-Furanmethanol glucoside,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OCC2=COC=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2292.9	Semi standard non polar	33892256
3-Furanmethanol glucoside,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OCC2=COC=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2274.1	Semi standard non polar	33892256
3-Furanmethanol glucoside,3TMS,isomer #4	C[Si](C)(C)OC1C(CO)OC(OCC2=COC=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2262.0	Semi standard non polar	33892256
3-Furanmethanol glucoside,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OCC2=COC=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2321.9	Semi standard non polar	33892256
3-Furanmethanol glucoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OCC2=COC=C2)C(O)C(O)C1O	2502.5	Semi standard non polar	33892256
3-Furanmethanol glucoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(OCC2=COC=C2)OC(CO)C(O)C1O	2496.5	Semi standard non polar	33892256
3-Furanmethanol glucoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OCC2=COC=C2)C1O	2484.7	Semi standard non polar	33892256
3-Furanmethanol glucoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2=COC=C2)C(O)C1O	2488.9	Semi standard non polar	33892256
3-Furanmethanol glucoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OCC2=COC=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	2708.8	Semi standard non polar	33892256
3-Furanmethanol glucoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OCC2=COC=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	2693.1	Semi standard non polar	33892256
3-Furanmethanol glucoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OCC2=COC=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	2711.2	Semi standard non polar	33892256
3-Furanmethanol glucoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2=COC=C2)C(O[Si](C)(C)C(C)(C)C)C1O	2706.2	Semi standard non polar	33892256
3-Furanmethanol glucoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(OCC2=COC=C2)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	2699.6	Semi standard non polar	33892256
3-Furanmethanol glucoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2=COC=C2)C(O)C1O[Si](C)(C)C(C)(C)C	2697.8	Semi standard non polar	33892256
3-Furanmethanol glucoside,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OCC2=COC=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	2907.5	Semi standard non polar	33892256
3-Furanmethanol glucoside,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OCC2=COC=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	2936.7	Semi standard non polar	33892256
3-Furanmethanol glucoside,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OCC2=COC=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2909.1	Semi standard non polar	33892256
3-Furanmethanol glucoside,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2=COC=C2)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2894.1	Semi standard non polar	33892256
3-Furanmethanol glucoside,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OCC2=COC=C2)C(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	3137.9	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Furanmethanol glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-000x-7950000000-2e6753876ced8e1957d3	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Furanmethanol glucoside GC-MS (4 TMS) - 70eV, Positive	splash10-001i-5111690000-7b1ba0ebb6552f3b6642	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Furanmethanol glucoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Furanmethanol glucoside 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 - 3-Furanmethanol glucoside 10V, Positive-QTOF	splash10-03di-2190000000-d77803defd9c27c169de	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Furanmethanol glucoside 20V, Positive-QTOF	splash10-0002-9230000000-500b7f278805cf7952e9	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Furanmethanol glucoside 40V, Positive-QTOF	splash10-0005-9200000000-a9e928730b579f7bf99b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Furanmethanol glucoside 10V, Negative-QTOF	splash10-0a4i-3390000000-9b1b1d78c581b9432d71	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Furanmethanol glucoside 20V, Negative-QTOF	splash10-082d-9540000000-cee740a0c0346a9c257e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Furanmethanol glucoside 40V, Negative-QTOF	splash10-05te-9300000000-6e7d488660b256511d32	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Furanmethanol glucoside 10V, Negative-QTOF	splash10-0a4i-4390000000-6318dde24ba3e9f01dbd	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Furanmethanol glucoside 20V, Negative-QTOF	splash10-066s-9210000000-e5693867be0783dbeac1	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Furanmethanol glucoside 40V, Negative-QTOF	splash10-014l-9000000000-483b97944bd39a50b21a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Furanmethanol glucoside 10V, Positive-QTOF	splash10-03dj-7590000000-b5d6fcd5e190f94aff72	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Furanmethanol glucoside 20V, Positive-QTOF	splash10-001i-9320000000-0544ef72856213412159	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Furanmethanol glucoside 40V, Positive-QTOF	splash10-001i-9000000000-1fa981f5c64ac2af2e95	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	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

FDB010909

KNApSAcK ID

Not Available

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

78302646

PDB ID

Not Available

ChEBI ID

168761

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 3-Furanmethanol glucoside (HMDB0032924)

MOL for HMDB0032924 (3-Furanmethanol glucoside)

3D MOL for HMDB0032924 (3-Furanmethanol glucoside)

3D SDF for HMDB0032924 (3-Furanmethanol glucoside)

3D-SDF for HMDB0032924 (3-Furanmethanol glucoside)

PDB for HMDB0032924 (3-Furanmethanol glucoside)

3D PDB for HMDB0032924 (3-Furanmethanol glucoside)

SMILES for HMDB0032924 (3-Furanmethanol glucoside)

INCHI for HMDB0032924 (3-Furanmethanol glucoside)

Structure for HMDB0032924 (3-Furanmethanol glucoside)

3D Structure for HMDB0032924 (3-Furanmethanol glucoside)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra