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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 18:22:32 UTC

Update Date

2022-03-07 02:53:47 UTC

HMDB ID

HMDB0033627

Secondary Accession Numbers

HMDB33627

Metabolite Identification

Common Name

D-Erythroascorbic acid 1'-a-D-glucoside

Description

D-Erythroascorbic acid 1'-a-D-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. D-Erythroascorbic acid 1'-a-D-glucoside has been detected, but not quantified in, a few different foods, such as common mushrooms (Agaricus bisporus), mushrooms, and oyster mushrooms (Pleurotus ostreatus). This could make D-erythroascorbic acid 1'-a-D-glucoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on D-Erythroascorbic acid 1'-a-D-glucoside.

Structure

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

HMDB0033627
     RDKit          3D
D-Erythroascorbic acid 1'-a-D-glucoside
 37 38  0  0  0  0  0  0  0  0999 V2000
    3.3985   -3.1560    0.1078 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2905   -1.8813    0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9529   -1.1252    1.2588 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9464    0.2215    0.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6231    0.8966    1.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    0.3143    0.5408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6157    0.9471    0.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1626    1.5344   -0.3005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7398    0.6420   -1.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2140    1.0089   -1.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2376    2.2956   -1.8802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.7944   -0.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3489   -1.5465   -1.7072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0568   -1.0799    0.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5284   -2.2817    1.0864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6060    0.0279    1.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0438   -0.4573    2.6828 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3056    0.2766   -0.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4338    1.4018   -1.3178 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5062   -0.9515   -0.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8712   -1.3061   -2.2453 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7283    0.7370    1.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7413    1.9721    1.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4479    0.7676    2.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4084    1.7710    1.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2632    0.7501   -2.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7818    0.9028   -0.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6377    0.3348   -2.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3499    2.9902   -1.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5373   -1.1006   -0.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2615   -1.7328   -1.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1712   -1.1834    0.5987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5544   -2.3415    0.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4783    0.6701    1.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    0.1643    3.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9903    1.4551   -2.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8616   -1.1435   -2.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  4 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 20  2  1  0
 16  7  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  7 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 11 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
 19 36  1  0
 21 37  1  0
M  END


  Mrv0541 05061307142D          

 21 22  0  0  0  0            999 V2000
    6.2895    3.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8810    4.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6764    3.8794    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
    5.8480    4.6864    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
    5.2349    5.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7615    4.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4502    4.9835    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
    4.2787    4.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0742    3.5823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6326    4.9413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.5286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4064    6.0454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0231    4.4736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8372    5.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5315    2.7666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4941    3.9216    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
    4.8918    3.6245    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  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  1  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  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 10  2  0  0  0  0
 19  2  1  0  0  0  0
 19 11  1  0  0  0  0
 20  4  1  0  0  0  0
 20 10  1  0  0  0  0
 21  3  1  0  0  0  0
 21 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0033627

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OCC2OC(=O)C(O)=C2O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C11H16O10/c12-1-3-5(13)7(15)9(17)11(21-3)19-2-4-6(14)8(16)10(18)20-4/h3-5,7,9,11-17H,1-2H2

> <INCHI_KEY>
VMBZDIQDNQIPAL-UHFFFAOYSA-N

> <FORMULA>
C11H16O10

> <MOLECULAR_WEIGHT>
308.2387

> <EXACT_MASS>
308.074346732

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
27.731535981225594

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,4-dihydroxy-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,5-dihydrofuran-2-one

> <ALOGPS_LOGP>
-2.34

> <JCHEM_LOGP>
-3.0540595793333334

> <ALOGPS_LOGS>
-0.20

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.051114873550075

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.452430439078072

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810834237611594

> <JCHEM_POLAR_SURFACE_AREA>
166.14

> <JCHEM_REFRACTIVITY>
63.48290000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.94e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,4-dihydroxy-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5H-furan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0033627
     RDKit          3D
D-Erythroascorbic acid 1'-a-D-glucoside
 37 38  0  0  0  0  0  0  0  0999 V2000
    3.3985   -3.1560    0.1078 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2905   -1.8813    0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9529   -1.1252    1.2588 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9464    0.2215    0.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6231    0.8966    1.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    0.3143    0.5408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6157    0.9471    0.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1626    1.5344   -0.3005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7398    0.6420   -1.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2140    1.0089   -1.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2376    2.2956   -1.8802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.7944   -0.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3489   -1.5465   -1.7072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0568   -1.0799    0.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5284   -2.2817    1.0864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6060    0.0279    1.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0438   -0.4573    2.6828 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3056    0.2766   -0.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4338    1.4018   -1.3178 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5062   -0.9515   -0.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8712   -1.3061   -2.2453 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7283    0.7370    1.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7413    1.9721    1.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4479    0.7676    2.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4084    1.7710    1.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2632    0.7501   -2.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7818    0.9028   -0.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6377    0.3348   -2.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3499    2.9902   -1.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5373   -1.1006   -0.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2615   -1.7328   -1.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1712   -1.1834    0.5987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5544   -2.3415    0.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4783    0.6701    1.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    0.1643    3.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9903    1.4551   -2.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8616   -1.1435   -2.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  4 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 20  2  1  0
 16  7  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  7 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 11 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
 19 36  1  0
 21 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      11.740   6.211   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.378   8.351   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.596   7.242   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      10.916   8.748   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       9.772   9.778   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.421   7.875   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.307   9.303   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.897   6.410   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.987   7.796   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      13.205   6.687   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      12.381   9.224   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       2.667  10.320   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      10.092  11.285   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -0.043   8.351   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       7.163  10.333   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       0.992   5.164   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       6.522   7.320   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       3.437   6.410   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       9.131   6.766   0.000  0.00  0.00           O+0
CONECT    1    3   12                                                       
CONECT    2    4   19                                                       
CONECT    3    1    5   21                                                  
CONECT    4    2    6   20                                                  
CONECT    5    3    7   13                                                  
CONECT    6    4    8   14                                                  
CONECT    7    5    9   15                                                  
CONECT    8    6   10   16                                                  
CONECT    9    7   11   17                                                  
CONECT   10    8   18   20                                                  
CONECT   11    9   19   21                                                  
CONECT   12    1                                                            
CONECT   13    5                                                            
CONECT   14    6                                                            
CONECT   15    7                                                            
CONECT   16    8                                                            
CONECT   17    9                                                            
CONECT   18   10                                                            
CONECT   19    2   11                                                       
CONECT   20    4   10                                                       
CONECT   21    3   11                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END

COMPND    HMDB0033627
HETATM    1  O1  UNL     1       3.399  -3.156   0.108  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.290  -1.881   0.166  1.00  0.00           C  
HETATM    3  O2  UNL     1       2.953  -1.125   1.259  1.00  0.00           O  
HETATM    4  C2  UNL     1       2.946   0.221   0.903  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.623   0.897   1.210  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.570   0.314   0.541  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.616   0.947   0.838  1.00  0.00           C  
HETATM    8  O4  UNL     1      -1.163   1.534  -0.300  1.00  0.00           O  
HETATM    9  C5  UNL     1      -1.740   0.642  -1.165  1.00  0.00           C  
HETATM   10  C6  UNL     1      -3.214   1.009  -1.357  1.00  0.00           C  
HETATM   11  O5  UNL     1      -3.238   2.296  -1.880  1.00  0.00           O  
HETATM   12  C7  UNL     1      -1.600  -0.794  -0.771  1.00  0.00           C  
HETATM   13  O6  UNL     1      -2.349  -1.547  -1.707  1.00  0.00           O  
HETATM   14  C8  UNL     1      -2.057  -1.080   0.625  1.00  0.00           C  
HETATM   15  O7  UNL     1      -1.528  -2.282   1.086  1.00  0.00           O  
HETATM   16  C9  UNL     1      -1.606   0.028   1.521  1.00  0.00           C  
HETATM   17  O8  UNL     1      -1.044  -0.457   2.683  1.00  0.00           O  
HETATM   18  C10 UNL     1       3.306   0.277  -0.503  1.00  0.00           C  
HETATM   19  O9  UNL     1       3.434   1.402  -1.318  1.00  0.00           O  
HETATM   20  C11 UNL     1       3.506  -0.952  -0.932  1.00  0.00           C  
HETATM   21  O10 UNL     1       3.871  -1.306  -2.245  1.00  0.00           O  
HETATM   22  H1  UNL     1       3.728   0.737   1.542  1.00  0.00           H  
HETATM   23  H2  UNL     1       1.741   1.972   1.030  1.00  0.00           H  
HETATM   24  H3  UNL     1       1.448   0.768   2.299  1.00  0.00           H  
HETATM   25  H4  UNL     1      -0.408   1.771   1.548  1.00  0.00           H  
HETATM   26  H5  UNL     1      -1.263   0.750  -2.177  1.00  0.00           H  
HETATM   27  H6  UNL     1      -3.782   0.903  -0.424  1.00  0.00           H  
HETATM   28  H7  UNL     1      -3.638   0.335  -2.132  1.00  0.00           H  
HETATM   29  H8  UNL     1      -3.350   2.990  -1.185  1.00  0.00           H  
HETATM   30  H9  UNL     1      -0.537  -1.101  -0.954  1.00  0.00           H  
HETATM   31  H10 UNL     1      -3.262  -1.733  -1.372  1.00  0.00           H  
HETATM   32  H11 UNL     1      -3.171  -1.183   0.599  1.00  0.00           H  
HETATM   33  H12 UNL     1      -0.554  -2.342   0.933  1.00  0.00           H  
HETATM   34  H13 UNL     1      -2.478   0.670   1.818  1.00  0.00           H  
HETATM   35  H14 UNL     1      -1.070   0.164   3.444  1.00  0.00           H  
HETATM   36  H15 UNL     1       2.990   1.455  -2.206  1.00  0.00           H  
HETATM   37  H16 UNL     1       4.862  -1.143  -2.458  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   20
CONECT    3    4
CONECT    4    5   18   22
CONECT    5    6   23   24
CONECT    6    7
CONECT    7    8   16   25
CONECT    8    9
CONECT    9   10   12   26
CONECT   10   11   27   28
CONECT   11   29
CONECT   12   13   14   30
CONECT   13   31
CONECT   14   15   16   32
CONECT   15   33
CONECT   16   17   34
CONECT   17   35
CONECT   18   19   20   20
CONECT   19   36
CONECT   20   21
CONECT   21   37
END

HMDB0033627
     RDKit          3D
D-Erythroascorbic acid 1'-a-D-glucoside
 37 38  0  0  0  0  0  0  0  0999 V2000
    3.3985   -3.1560    0.1078 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2905   -1.8813    0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9529   -1.1252    1.2588 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9464    0.2215    0.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6231    0.8966    1.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    0.3143    0.5408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6157    0.9471    0.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1626    1.5344   -0.3005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7398    0.6420   -1.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2140    1.0089   -1.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2376    2.2956   -1.8802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.7944   -0.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3489   -1.5465   -1.7072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0568   -1.0799    0.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5284   -2.2817    1.0864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6060    0.0279    1.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0438   -0.4573    2.6828 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3056    0.2766   -0.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4338    1.4018   -1.3178 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5062   -0.9515   -0.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8712   -1.3061   -2.2453 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7283    0.7370    1.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7413    1.9721    1.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4479    0.7676    2.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4084    1.7710    1.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2632    0.7501   -2.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7818    0.9028   -0.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6377    0.3348   -2.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3499    2.9902   -1.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5373   -1.1006   -0.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2615   -1.7328   -1.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1712   -1.1834    0.5987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5544   -2.3415    0.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4783    0.6701    1.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    0.1643    3.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9903    1.4551   -2.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8616   -1.1435   -2.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  4 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 20  2  1  0
 16  7  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  7 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 11 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
 19 36  1  0
 21 37  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
D-Erythroascorbate 1'-a-D-glucoside	Generator

Chemical Formula

C₁₁H₁₆O₁₀

Average Molecular Weight

308.2387

Monoisotopic Molecular Weight

308.074346732

IUPAC Name

3,4-dihydroxy-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,5-dihydrofuran-2-one

Traditional Name

3,4-dihydroxy-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5H-furan-2-one

CAS Registry Number

174339-86-7

SMILES

OCC1OC(OCC2OC(=O)C(O)=C2O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C11H16O10/c12-1-3-5(13)7(15)9(17)11(21-3)19-2-4-6(14)8(16)10(18)20-4/h3-5,7,9,11-17H,1-2H2

InChI Key

VMBZDIQDNQIPAL-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
2-furanone
Monosaccharide
Oxane
Dihydrofuran
Vinylogous acid
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Lactone
Enediol
Carboxylic acid ester
Secondary alcohol
Polyol
Organoheterocyclic compound
Oxacycle
Monocarboxylic acid or derivatives
Acetal
Carboxylic acid derivative
Alcohol
Hydrocarbon derivative
Carbonyl group
Primary alcohol
Organic oxide
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0033627)
Cytoplasm (HMDB: HMDB0033627)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0033627)

Source

Exogenous

Food

Food (HMDB: HMDB0033627)

Plant (HMDB: HMDB0033627)

Not Available

Nutrient (HMDB: HMDB0033627)

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	194 g/L	ALOGPS
logP	-2.3	ALOGPS
logP	-3.1	ChemAxon
logS	-0.2	ALOGPS
pKa (Strongest Acidic)	4.45	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	166.14 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	63.48 m³·mol⁻¹	ChemAxon
Polarizability	27.73 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
DeepCCS	[M+H]+	162.881	30932474
DeepCCS	[M-H]-	160.523	30932474
DeepCCS	[M-2H]-	193.408	30932474
DeepCCS	[M+Na]+	168.974	30932474
AllCCS	[M+H]+	169.3	32859911
AllCCS	[M+H-H2O]+	166.0	32859911
AllCCS	[M+NH4]+	172.4	32859911
AllCCS	[M+Na]+	173.3	32859911
AllCCS	[M-H]-	165.3	32859911
AllCCS	[M+Na-2H]-	164.9	32859911
AllCCS	[M+HCOO]-	164.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
D-Erythroascorbic acid 1'-a-D-glucoside	OCC1OC(OCC2OC(=O)C(O)=C2O)C(O)C(O)C1O	4016.7	Standard polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside	OCC1OC(OCC2OC(=O)C(O)=C2O)C(O)C(O)C1O	2751.2	Standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside	OCC1OC(OCC2OC(=O)C(O)=C2O)C(O)C(O)C1O	2488.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
D-Erythroascorbic acid 1'-a-D-glucoside,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O)C(O)C(O)C1O	2767.9	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,1TMS,isomer #2	C[Si](C)(C)OC1=C(O)C(COC2OC(CO)C(O)C(O)C2O)OC1=O	2782.7	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,1TMS,isomer #3	C[Si](C)(C)OC1=C(O)C(=O)OC1COC1OC(CO)C(O)C(O)C1O	2828.8	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,1TMS,isomer #4	C[Si](C)(C)OC1C(OCC2OC(=O)C(O)=C2O)OC(CO)C(O)C1O	2777.7	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,1TMS,isomer #5	C[Si](C)(C)OC1C(O)C(CO)OC(OCC2OC(=O)C(O)=C2O)C1O	2767.5	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,1TMS,isomer #6	C[Si](C)(C)OC1C(CO)OC(OCC2OC(=O)C(O)=C2O)C(O)C1O	2783.4	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C)=C2O)C(O)C(O)C1O	2754.1	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TMS,isomer #10	C[Si](C)(C)OC1=C(O)C(=O)OC1COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	2811.7	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TMS,isomer #11	C[Si](C)(C)OC1=C(O)C(=O)OC1COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	2809.3	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TMS,isomer #12	C[Si](C)(C)OC1=C(O)C(=O)OC1COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	2800.7	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TMS,isomer #13	C[Si](C)(C)OC1C(CO)OC(OCC2OC(=O)C(O)=C2O)C(O[Si](C)(C)C)C1O	2728.9	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TMS,isomer #14	C[Si](C)(C)OC1C(OCC2OC(=O)C(O)=C2O)OC(CO)C(O)C1O[Si](C)(C)C	2743.7	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TMS,isomer #15	C[Si](C)(C)OC1C(CO)OC(OCC2OC(=O)C(O)=C2O)C(O)C1O[Si](C)(C)C	2736.2	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O[Si](C)(C)C)C(O)C(O)C1O	2804.5	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O)C(O[Si](C)(C)C)C(O)C1O	2741.5	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O)C(O)C(O[Si](C)(C)C)C1O	2749.6	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O)C(O)C(O)C1O[Si](C)(C)C	2753.2	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TMS,isomer #6	C[Si](C)(C)OC1=C(O[Si](C)(C)C)C(COC2OC(CO)C(O)C(O)C2O)OC1=O	2813.1	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TMS,isomer #7	C[Si](C)(C)OC1=C(O)C(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC1=O	2757.7	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TMS,isomer #8	C[Si](C)(C)OC1=C(O)C(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC1=O	2750.6	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TMS,isomer #9	C[Si](C)(C)OC1=C(O)C(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC1=O	2745.9	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O)C(O)C1O	2811.9	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2754.3	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TMS,isomer #11	C[Si](C)(C)OC1=C(O[Si](C)(C)C)C(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC1=O	2831.8	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TMS,isomer #12	C[Si](C)(C)OC1=C(O[Si](C)(C)C)C(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC1=O	2824.5	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TMS,isomer #13	C[Si](C)(C)OC1=C(O[Si](C)(C)C)C(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC1=O	2815.0	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TMS,isomer #14	C[Si](C)(C)OC1=C(O)C(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC1=O	2761.8	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TMS,isomer #15	C[Si](C)(C)OC1=C(O)C(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC1=O	2761.7	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TMS,isomer #16	C[Si](C)(C)OC1=C(O)C(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC1=O	2763.9	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TMS,isomer #17	C[Si](C)(C)OC1=C(O)C(=O)OC1COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2818.9	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TMS,isomer #18	C[Si](C)(C)OC1=C(O)C(=O)OC1COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2816.2	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TMS,isomer #19	C[Si](C)(C)OC1=C(O)C(=O)OC1COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2824.3	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C)=C2O)C(O[Si](C)(C)C)C(O)C1O	2767.0	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TMS,isomer #20	C[Si](C)(C)OC1C(CO)OC(OCC2OC(=O)C(O)=C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2758.6	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C)=C2O)C(O)C(O[Si](C)(C)C)C1O	2767.0	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C)=C2O)C(O)C(O)C1O[Si](C)(C)C	2774.6	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2816.4	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2832.3	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2829.1	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2755.5	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2762.0	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2795.8	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TMS,isomer #10	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2796.1	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TMS,isomer #11	C[Si](C)(C)OC1=C(O[Si](C)(C)C)C(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC1=O	2805.9	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TMS,isomer #12	C[Si](C)(C)OC1=C(O[Si](C)(C)C)C(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC1=O	2801.4	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TMS,isomer #13	C[Si](C)(C)OC1=C(O[Si](C)(C)C)C(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC1=O	2808.4	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TMS,isomer #14	C[Si](C)(C)OC1=C(O)C(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC1=O	2764.8	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TMS,isomer #15	C[Si](C)(C)OC1=C(O)C(=O)OC1COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2836.3	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2806.0	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TMS,isomer #3	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2805.0	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2756.3	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2768.7	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TMS,isomer #6	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2759.1	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TMS,isomer #7	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2829.6	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TMS,isomer #8	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2844.0	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TMS,isomer #9	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2835.1	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,5TMS,isomer #1	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2795.3	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,5TMS,isomer #2	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2819.5	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,5TMS,isomer #3	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2797.2	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,5TMS,isomer #4	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2791.2	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,5TMS,isomer #5	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2857.0	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,5TMS,isomer #6	C[Si](C)(C)OC1=C(O[Si](C)(C)C)C(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC1=O	2785.7	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,6TMS,isomer #1	C[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2778.1	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O)C(O)C(O)C1O	3032.5	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=C(O)C(COC2OC(CO)C(O)C(O)C2O)OC1=O	3048.5	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=C(O)C(=O)OC1COC1OC(CO)C(O)C(O)C1O	3069.1	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(OCC2OC(=O)C(O)=C2O)OC(CO)C(O)C1O	3022.6	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OCC2OC(=O)C(O)=C2O)C1O	3011.1	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2OC(=O)C(O)=C2O)C(O)C1O	3028.9	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C(C)(C)C)=C2O)C(O)C(O)C1O	3219.4	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=C(O)C(=O)OC1COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3288.8	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=C(O)C(=O)OC1COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3285.6	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=C(O)C(=O)OC1COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3263.1	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2OC(=O)C(O)=C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3188.6	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(OCC2OC(=O)C(O)=C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3197.1	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2OC(=O)C(O)=C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3196.3	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3255.6	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3198.3	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3210.5	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3214.5	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO)C(O)C(O)C2O)OC1=O	3291.6	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=C(O)C(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC1=O	3260.7	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=C(O)C(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC1=O	3247.0	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=C(O)C(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC1=O	3231.8	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C(C)(C)C)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3460.0	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3400.1	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC1=O	3502.5	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC1=O	3518.0	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC1=O	3483.0	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=C(O)C(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC1=O	3449.5	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=C(O)C(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC1=O	3442.7	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=C(O)C(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC1=O	3454.4	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=C(O)C(=O)OC1COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3496.3	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=C(O)C(=O)OC1COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3480.8	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=C(O)C(=O)OC1COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3498.3	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C(C)(C)C)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3423.2	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2OC(=O)C(O)=C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3397.3	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C(C)(C)C)=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3443.7	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C(C)(C)C)=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3436.8	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3449.3	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3490.1	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3464.0	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3396.7	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3407.7	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(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)C(O)C1O	3651.5	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O)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	3625.8	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC1=O	3679.7	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC1=O	3669.4	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC1=O	3686.4	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=C(O)C(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC1=O	3630.1	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=C(O)C(=O)OC1COC1OC(CO)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	3687.1	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C(C)(C)C)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3694.7	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C(C)(C)C)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3667.6	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C(C)(C)C)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3645.9	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C(C)(C)C)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3650.8	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C(C)(C)C)=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3649.0	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3690.7	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3699.2	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3695.4	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(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)C(O[Si](C)(C)C(C)(C)C)C1O	3830.5	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(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)C(O)C1O[Si](C)(C)C(C)(C)C	3850.6	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C(C)(C)C)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3830.4	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O[Si](C)(C)C(C)(C)C)=C2O)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	3824.9	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(=O)C(O)=C2O[Si](C)(C)C(C)(C)C)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	3861.8	Semi standard non polar	33892256
D-Erythroascorbic acid 1'-a-D-glucoside,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC1=O	3797.2	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 - D-Erythroascorbic acid 1'-a-D-glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0f6x-4690000000-46a0575ad41676d95981	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Erythroascorbic acid 1'-a-D-glucoside GC-MS (5 TMS) - 70eV, Positive	splash10-0udi-2232029000-f9b1c4585d05cf639da0	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Erythroascorbic acid 1'-a-D-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 - D-Erythroascorbic acid 1'-a-D-glucoside 10V, Positive-QTOF	splash10-0a4l-1393000000-72ed7d000175dde2ded2	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Erythroascorbic acid 1'-a-D-glucoside 20V, Positive-QTOF	splash10-002b-1920000000-a4f00c5ab8378040f1f3	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Erythroascorbic acid 1'-a-D-glucoside 40V, Positive-QTOF	splash10-020d-9720000000-6d8c721aa39f1165fcbe	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Erythroascorbic acid 1'-a-D-glucoside 10V, Negative-QTOF	splash10-0a4i-3946000000-e1c3d58914950e675e44	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Erythroascorbic acid 1'-a-D-glucoside 20V, Negative-QTOF	splash10-03g0-4920000000-e9f32d942215e4e965e9	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Erythroascorbic acid 1'-a-D-glucoside 40V, Negative-QTOF	splash10-052g-9500000000-cf0cd28e1ba86d646886	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Erythroascorbic acid 1'-a-D-glucoside 10V, Negative-QTOF	splash10-0a4i-1379000000-9a507ddea16ad72d615f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Erythroascorbic acid 1'-a-D-glucoside 20V, Negative-QTOF	splash10-0a4i-9571000000-f655d8e483d04a77e028	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Erythroascorbic acid 1'-a-D-glucoside 40V, Negative-QTOF	splash10-0596-9200000000-397b2b94a82eeb606b7a	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Erythroascorbic acid 1'-a-D-glucoside 10V, Positive-QTOF	splash10-0a4i-0639000000-06dfdc59dfea54c5c3ed	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Erythroascorbic acid 1'-a-D-glucoside 20V, Positive-QTOF	splash10-0005-5941000000-912ebd87a9fa57b3d421	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Erythroascorbic acid 1'-a-D-glucoside 40V, Positive-QTOF	splash10-052b-9510000000-114d9a096bdf32457cf4	2021-09-22	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

FDB011716

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

131751466

PDB ID

Not Available

ChEBI ID

168002

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 D-Erythroascorbic acid 1'-a-D-glucoside (HMDB0033627)

MOL for HMDB0033627 (D-Erythroascorbic acid 1'-a-D-glucoside)

3D MOL for HMDB0033627 (D-Erythroascorbic acid 1'-a-D-glucoside)

3D SDF for HMDB0033627 (D-Erythroascorbic acid 1'-a-D-glucoside)

3D-SDF for HMDB0033627 (D-Erythroascorbic acid 1'-a-D-glucoside)

PDB for HMDB0033627 (D-Erythroascorbic acid 1'-a-D-glucoside)

3D PDB for HMDB0033627 (D-Erythroascorbic acid 1'-a-D-glucoside)

SMILES for HMDB0033627 (D-Erythroascorbic acid 1'-a-D-glucoside)

INCHI for HMDB0033627 (D-Erythroascorbic acid 1'-a-D-glucoside)

Structure for HMDB0033627 (D-Erythroascorbic acid 1'-a-D-glucoside)

3D Structure for HMDB0033627 (D-Erythroascorbic acid 1'-a-D-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra