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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 22:07:13 UTC

Update Date

2022-03-07 02:55:07 UTC

HMDB ID

HMDB0036932

Secondary Accession Numbers

HMDB36932

Metabolite Identification

Common Name

2-O-Galloylgalactaric acid

Description

2-O-Galloylgalactaric acid belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. 2-O-Galloylgalactaric acid has been detected, but not quantified in, fruits. This could make 2-O-galloylgalactaric acid a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on 2-O-Galloylgalactaric acid.

Structure

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

HMDB0036932
     RDKit          3D
2-O-Galloylgalactaric acid
 39 39  0  0  0  0  0  0  0  0999 V2000
    0.8690    1.2557   -1.4341 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2381    0.3971   -0.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3209   -0.5470   -0.2018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0156   -0.5749   -0.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2149   -1.8290   -1.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -2.1603   -2.1035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1855   -2.7740   -1.4716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9116   -0.3624    0.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6840   -1.4231    1.3331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3613   -0.2280    0.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9522   -1.3394   -0.3804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7039    1.0211   -0.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3034    0.9634   -1.9456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1619    1.2374   -0.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8971    1.3480   -1.5047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7228    1.3189    0.7662 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5950    0.4668   -0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333   -0.4462    0.8841 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3132   -0.4160    1.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6938   -1.3623    2.3452 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1991    0.5568    0.9998 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5029    0.6090    1.5188 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7769    1.4793    0.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6472    2.4729   -0.3677 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4815    1.4381   -0.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1283    0.2649   -1.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2912   -3.7284   -1.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5557    0.5687    0.9571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0820   -2.2352    0.9101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8586   -0.0724    1.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7628   -1.6531    0.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1358    1.8603   -0.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0251    1.8487   -2.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4137    0.6894    1.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3201   -1.2018    1.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0605   -2.0740    2.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7814   -0.0723    2.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5752    2.5340   -0.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2009    2.1695   -1.1740 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  2  0
  5  7  1  0
  4  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 14 16  1  0
  2 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  2  0
 25 17  1  0
  4 26  1  0
  7 27  1  0
  8 28  1  0
  9 29  1  0
 10 30  1  0
 11 31  1  0
 12 32  1  0
 13 33  1  0
 16 34  1  0
 18 35  1  0
 20 36  1  0
 22 37  1  0
 24 38  1  0
 25 39  1  0
M  END


  Mrv0541 05061309252D          

 25 25  0  0  0  0            999 V2000
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  2  0  0  0  0
  6  5  1  0  0  0  0
  8  7  1  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 10  1  0  0  0  0
 13  3  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20 11  2  0  0  0  0
 21 11  1  0  0  0  0
 22 12  2  0  0  0  0
 23 12  1  0  0  0  0
 24 13  2  0  0  0  0
 25 10  1  0  0  0  0
 25 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0036932

> <DATABASE_NAME>
hmdb

> <SMILES>
OC(C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O)C(O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C13H14O12/c14-4-1-3(2-5(15)6(4)16)13(24)25-10(12(22)23)8(18)7(17)9(19)11(20)21/h1-2,7-10,14-19H,(H,20,21)(H,22,23)

> <INCHI_KEY>
KJWXZHRHCSMFSY-UHFFFAOYSA-N

> <FORMULA>
C13H14O12

> <MOLECULAR_WEIGHT>
362.2431

> <EXACT_MASS>
362.048525912

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
30.754990624952104

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)hexanedioic acid

> <ALOGPS_LOGP>
0.48

> <JCHEM_LOGP>
-1.504865889

> <ALOGPS_LOGS>
-1.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.0772127835595167

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.4019871084074826

> <JCHEM_PKA_STRONGEST_BASIC>
-4.254057452255384

> <JCHEM_POLAR_SURFACE_AREA>
222.27999999999997

> <JCHEM_REFRACTIVITY>
73.90309999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.09e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)hexanedioic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0036932
     RDKit          3D
2-O-Galloylgalactaric acid
 39 39  0  0  0  0  0  0  0  0999 V2000
    0.8690    1.2557   -1.4341 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2381    0.3971   -0.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3209   -0.5470   -0.2018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0156   -0.5749   -0.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2149   -1.8290   -1.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -2.1603   -2.1035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1855   -2.7740   -1.4716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9116   -0.3624    0.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6840   -1.4231    1.3331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3613   -0.2280    0.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9522   -1.3394   -0.3804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7039    1.0211   -0.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3034    0.9634   -1.9456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1619    1.2374   -0.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8971    1.3480   -1.5047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7228    1.3189    0.7662 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5950    0.4668   -0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333   -0.4462    0.8841 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3132   -0.4160    1.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6938   -1.3623    2.3452 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1991    0.5568    0.9998 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5029    0.6090    1.5188 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7769    1.4793    0.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6472    2.4729   -0.3677 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4815    1.4381   -0.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1283    0.2649   -1.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2912   -3.7284   -1.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5557    0.5687    0.9571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0820   -2.2352    0.9101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8586   -0.0724    1.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7628   -1.6531    0.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1358    1.8603   -0.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0251    1.8487   -2.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4137    0.6894    1.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3201   -1.2018    1.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0605   -2.0740    2.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7814   -0.0723    2.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5752    2.5340   -0.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2009    2.1695   -1.1740 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  2  0
  5  7  1  0
  4  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 14 16  1  0
  2 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  2  0
 25 17  1  0
  4 26  1  0
  7 27  1  0
  8 28  1  0
  9 29  1  0
 10 30  1  0
 11 31  1  0
 12 32  1  0
 13 33  1  0
 16 34  1  0
 18 35  1  0
 20 36  1  0
 22 37  1  0
 24 38  1  0
 25 39  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      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000  -1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667  -1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334   0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335  -1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.002  -1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.001  -3.850   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -4.001   0.770   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       6.668  -3.850   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       8.002   0.000   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      10.669  -1.540   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       9.336  -3.850   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       1.334  -3.850   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       2.667  -1.540   0.000  0.00  0.00           O+0
CONECT    1    3    4                                                       
CONECT    2    3    5                                                       
CONECT    3    1    2   13                                                  
CONECT    4    1    6   14                                                  
CONECT    5    2    6   15                                                  
CONECT    6    4    5   16                                                  
CONECT    7    8    9   17                                                  
CONECT    8    7   10   18                                                  
CONECT    9    7   11   19                                                  
CONECT   10    8   12   25                                                  
CONECT   11    9   20   21                                                  
CONECT   12   10   22   23                                                  
CONECT   13    3   24   25                                                  
CONECT   14    4                                                            
CONECT   15    5                                                            
CONECT   16    6                                                            
CONECT   17    7                                                            
CONECT   18    8                                                            
CONECT   19    9                                                            
CONECT   20   11                                                            
CONECT   21   11                                                            
CONECT   22   12                                                            
CONECT   23   12                                                            
CONECT   24   13                                                            
CONECT   25   10   13                                                       
MASTER        0    0    0    0    0    0    0    0   25    0   50    0
END

COMPND    HMDB0036932
HETATM    1  O1  UNL     1       0.869   1.256  -1.434  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.238   0.397  -0.576  1.00  0.00           C  
HETATM    3  O2  UNL     1       0.321  -0.547  -0.202  1.00  0.00           O  
HETATM    4  C2  UNL     1      -1.016  -0.575  -0.755  1.00  0.00           C  
HETATM    5  C3  UNL     1      -1.215  -1.829  -1.470  1.00  0.00           C  
HETATM    6  O3  UNL     1      -2.242  -2.160  -2.104  1.00  0.00           O  
HETATM    7  O4  UNL     1      -0.185  -2.774  -1.472  1.00  0.00           O  
HETATM    8  C4  UNL     1      -1.912  -0.362   0.436  1.00  0.00           C  
HETATM    9  O5  UNL     1      -1.684  -1.423   1.333  1.00  0.00           O  
HETATM   10  C5  UNL     1      -3.361  -0.228   0.156  1.00  0.00           C  
HETATM   11  O6  UNL     1      -3.952  -1.339  -0.380  1.00  0.00           O  
HETATM   12  C6  UNL     1      -3.704   1.021  -0.630  1.00  0.00           C  
HETATM   13  O7  UNL     1      -3.303   0.963  -1.946  1.00  0.00           O  
HETATM   14  C7  UNL     1      -5.162   1.237  -0.494  1.00  0.00           C  
HETATM   15  O8  UNL     1      -5.897   1.348  -1.505  1.00  0.00           O  
HETATM   16  O9  UNL     1      -5.723   1.319   0.766  1.00  0.00           O  
HETATM   17  C8  UNL     1       2.595   0.467  -0.048  1.00  0.00           C  
HETATM   18  C9  UNL     1       3.033  -0.446   0.884  1.00  0.00           C  
HETATM   19  C10 UNL     1       4.313  -0.416   1.411  1.00  0.00           C  
HETATM   20  O10 UNL     1       4.694  -1.362   2.345  1.00  0.00           O  
HETATM   21  C11 UNL     1       5.199   0.557   1.000  1.00  0.00           C  
HETATM   22  O11 UNL     1       6.503   0.609   1.519  1.00  0.00           O  
HETATM   23  C12 UNL     1       4.777   1.479   0.067  1.00  0.00           C  
HETATM   24  O12 UNL     1       5.647   2.473  -0.368  1.00  0.00           O  
HETATM   25  C13 UNL     1       3.481   1.438  -0.458  1.00  0.00           C  
HETATM   26  H1  UNL     1      -1.128   0.265  -1.487  1.00  0.00           H  
HETATM   27  H2  UNL     1      -0.291  -3.728  -1.717  1.00  0.00           H  
HETATM   28  H3  UNL     1      -1.556   0.569   0.957  1.00  0.00           H  
HETATM   29  H4  UNL     1      -2.082  -2.235   0.910  1.00  0.00           H  
HETATM   30  H5  UNL     1      -3.859  -0.072   1.163  1.00  0.00           H  
HETATM   31  H6  UNL     1      -4.763  -1.653   0.098  1.00  0.00           H  
HETATM   32  H7  UNL     1      -3.136   1.860  -0.148  1.00  0.00           H  
HETATM   33  H8  UNL     1      -3.025   1.849  -2.249  1.00  0.00           H  
HETATM   34  H9  UNL     1      -6.414   0.689   1.127  1.00  0.00           H  
HETATM   35  H10 UNL     1       2.320  -1.202   1.192  1.00  0.00           H  
HETATM   36  H11 UNL     1       4.061  -2.074   2.652  1.00  0.00           H  
HETATM   37  H12 UNL     1       6.781  -0.072   2.194  1.00  0.00           H  
HETATM   38  H13 UNL     1       6.575   2.534  -0.018  1.00  0.00           H  
HETATM   39  H14 UNL     1       3.201   2.169  -1.174  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   17
CONECT    3    4
CONECT    4    5    8   26
CONECT    5    6    6    7
CONECT    7   27
CONECT    8    9   10   28
CONECT    9   29
CONECT   10   11   12   30
CONECT   11   31
CONECT   12   13   14   32
CONECT   13   33
CONECT   14   15   15   16
CONECT   16   34
CONECT   17   18   18   25
CONECT   18   19   35
CONECT   19   20   21   21
CONECT   20   36
CONECT   21   22   23
CONECT   22   37
CONECT   23   24   25   25
CONECT   24   38
CONECT   25   39
END

HMDB0036932
     RDKit          3D
2-O-Galloylgalactaric acid
 39 39  0  0  0  0  0  0  0  0999 V2000
    0.8690    1.2557   -1.4341 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2381    0.3971   -0.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3209   -0.5470   -0.2018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0156   -0.5749   -0.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2149   -1.8290   -1.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -2.1603   -2.1035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1855   -2.7740   -1.4716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9116   -0.3624    0.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6840   -1.4231    1.3331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3613   -0.2280    0.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9522   -1.3394   -0.3804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7039    1.0211   -0.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3034    0.9634   -1.9456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1619    1.2374   -0.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8971    1.3480   -1.5047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7228    1.3189    0.7662 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5950    0.4668   -0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333   -0.4462    0.8841 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3132   -0.4160    1.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6938   -1.3623    2.3452 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1991    0.5568    0.9998 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5029    0.6090    1.5188 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7769    1.4793    0.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6472    2.4729   -0.3677 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4815    1.4381   -0.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1283    0.2649   -1.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2912   -3.7284   -1.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5557    0.5687    0.9571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0820   -2.2352    0.9101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8586   -0.0724    1.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7628   -1.6531    0.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1358    1.8603   -0.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0251    1.8487   -2.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4137    0.6894    1.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3201   -1.2018    1.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0605   -2.0740    2.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7814   -0.0723    2.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5752    2.5340   -0.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2009    2.1695   -1.1740 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  2  0
  5  7  1  0
  4  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 14 16  1  0
  2 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  2  0
 25 17  1  0
  4 26  1  0
  7 27  1  0
  8 28  1  0
  9 29  1  0
 10 30  1  0
 11 31  1  0
 12 32  1  0
 13 33  1  0
 16 34  1  0
 18 35  1  0
 20 36  1  0
 22 37  1  0
 24 38  1  0
 25 39  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-O-Galloylgalactarate	Generator
2-O-Galloylmucic acid	HMDB
2,3,4-Trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)hexanedioate	Generator
2-Galloylgalactarate	Generator

Chemical Formula

C₁₃H₁₄O₁₂

Average Molecular Weight

362.2431

Monoisotopic Molecular Weight

362.048525912

IUPAC Name

2,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)hexanedioic acid

Traditional Name

2,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)hexanedioic acid

CAS Registry Number

Not Available

SMILES

OC(C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O)C(O)C(O)=O

InChI Identifier

InChI=1S/C13H14O12/c14-4-1-3(2-5(15)6(4)16)13(24)25-10(12(22)23)8(18)7(17)9(19)11(20)21/h1-2,7-10,14-19H,(H,20,21)(H,22,23)

InChI Key

KJWXZHRHCSMFSY-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Glucuronic acid derivatives

Alternative Parents

Substituents

Glucuronic acid or derivatives
Galloyl ester
Gallic acid or derivatives
P-hydroxybenzoic acid alkyl ester
M-hydroxybenzoic acid ester
P-hydroxybenzoic acid ester
Benzoate ester
Benzenetriol
Benzoic acid or derivatives
Tricarboxylic acid or derivatives
Pyrogallol derivative
Benzoyl
Phenol
Beta-hydroxy acid
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Monosaccharide
Hydroxy acid
Benzenoid
Alpha-hydroxy acid
Monocyclic benzene moiety
Secondary alcohol
Carboxylic acid ester
Polyol
Carboxylic acid
Carboxylic acid derivative
Hydrocarbon derivative
Organic oxide
Alcohol
Carbonyl group
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0036932)
Cytoplasm (HMDB: HMDB0036932)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0036932)

Source

Exogenous

Food

Food (HMDB: HMDB0036932)

Fruit

Fruits (FooDB: FOOD00871)

Endogenous

Plant

Plant (HMDB: HMDB0036932)

Not Available

Nutrient (HMDB: HMDB0036932)

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	8.09 g/L	ALOGPS
logP	0.48	ALOGPS
logP	-1.5	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	2.4	ChemAxon
pKa (Strongest Basic)	-4.3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	222.28 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	73.9 m³·mol⁻¹	ChemAxon
Polarizability	30.75 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	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]+	183.063	31661259
DarkChem	[M-H]-	174.558	31661259
DeepCCS	[M+H]+	175.66	30932474
DeepCCS	[M-H]-	173.301	30932474
DeepCCS	[M-2H]-	207.594	30932474
DeepCCS	[M+Na]+	183.673	30932474
AllCCS	[M+H]+	176.9	32859911
AllCCS	[M+H-H2O]+	174.2	32859911
AllCCS	[M+NH4]+	179.3	32859911
AllCCS	[M+Na]+	180.0	32859911
AllCCS	[M-H]-	173.6	32859911
AllCCS	[M+Na-2H]-	173.5	32859911
AllCCS	[M+HCOO]-	173.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
2-O-Galloylgalactaric acid	OC(C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O)C(O)C(O)=O	5061.2	Standard polar	33892256
2-O-Galloylgalactaric acid	OC(C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O)C(O)C(O)=O	2883.3	Standard non polar	33892256
2-O-Galloylgalactaric acid	OC(C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O)C(O)C(O)=O	3053.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
2-O-Galloylgalactaric acid,1TMS,isomer #1	C[Si](C)(C)OC(C(O)C(=O)O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3283.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,1TMS,isomer #2	C[Si](C)(C)OC(C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O)C(O)C(O)C(=O)O	3263.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,1TMS,isomer #3	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O)C(O)C(=O)O)=CC(O)=C1O	3206.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,1TMS,isomer #4	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC(C(=O)O)C(O)C(O)C(O)C(=O)O)C=C1O	3108.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,1TMS,isomer #5	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)C(O)C(O)C(=O)O	3236.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,1TMS,isomer #6	C[Si](C)(C)OC(C(=O)O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3308.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,1TMS,isomer #7	C[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3252.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TMS,isomer #1	C[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3282.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TMS,isomer #10	C[Si](C)(C)OC(C(=O)O)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3285.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TMS,isomer #11	C[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3221.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TMS,isomer #12	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C(O)C(O)C(=O)O	3166.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TMS,isomer #13	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O)C(O[Si](C)(C)C)C(=O)O)=CC(O)=C1O	3220.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TMS,isomer #14	C[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O	3159.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TMS,isomer #15	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O)C(O)C(=O)O)=CC(O[Si](C)(C)C)=C1O	3147.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TMS,isomer #16	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O)C(O)C(=O)O)=CC(O)=C1O[Si](C)(C)C	3072.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TMS,isomer #17	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C(O)C(O)C(=O)O	3064.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TMS,isomer #18	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC(C(=O)O)C(O)C(O)C(O[Si](C)(C)C)C(=O)O)C=C1O	3112.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TMS,isomer #19	C[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(=O)O	3059.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TMS,isomer #2	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3234.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TMS,isomer #20	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)C(O)C(O[Si](C)(C)C)C(=O)O	3245.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TMS,isomer #21	C[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O[Si](C)(C)C	3196.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TMS,isomer #22	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3243.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TMS,isomer #3	C[Si](C)(C)OC(C(O)C(=O)O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3269.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TMS,isomer #4	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O[Si](C)(C)C)C(O)C(=O)O)=CC(O)=C1O	3215.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TMS,isomer #5	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC(C(=O)O)C(O)C(O[Si](C)(C)C)C(O)C(=O)O)C=C1O	3094.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TMS,isomer #6	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)C(O[Si](C)(C)C)C(O)C(=O)O	3233.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TMS,isomer #7	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C)C(O)C(O)C(=O)O)=CC(O)=C1O	3210.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TMS,isomer #8	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC(C(=O)O)C(O[Si](C)(C)C)C(O)C(O)C(=O)O)C=C1O	3102.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TMS,isomer #9	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C(O)C(O)C(=O)O	3228.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3180.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #10	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)O)=CC(O)=C1O	3126.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #11	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)O)C=C1O	3002.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)O	3154.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #13	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C(O[Si](C)(C)C)C(O)C(=O)O	3096.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #14	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O[Si](C)(C)C)C(O)C(=O)O)=CC(O[Si](C)(C)C)=C1O	3077.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #15	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O[Si](C)(C)C)C(O)C(=O)O)=CC(O)=C1O[Si](C)(C)C	3014.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #16	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C(O[Si](C)(C)C)C(O)C(=O)O	2990.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #17	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(O)C(O)C(=O)O	3119.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #18	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(=O)O)=CC(O)=C1O	3139.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #19	C[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O	3082.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #2	C[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3201.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #20	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C)C(O)C(O)C(=O)O)=CC(O[Si](C)(C)C)=C1O	3085.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #21	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C)C(O)C(O)C(=O)O)=CC(O)=C1O[Si](C)(C)C	3021.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #22	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C(O)C(O)C(=O)O	3004.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #23	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC(C(=O)O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(=O)O)C=C1O	3030.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #24	C[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(=O)O	2986.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #25	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(=O)O	3193.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #26	C[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O[Si](C)(C)C	3134.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #27	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3178.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #28	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O)C(O)C(O)C(=O)O	3060.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #29	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C(O)C(O)C(=O)O	2995.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #3	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O)=CC(O)=C1O	3139.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #30	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C(O)C(O[Si](C)(C)C)C(=O)O	3110.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #31	C[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	3058.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #32	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O	3107.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #33	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O)C(O[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1O	3101.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #34	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O)C(O[Si](C)(C)C)C(=O)O)=CC(O)=C1O[Si](C)(C)C	3054.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #35	C[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O	3056.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #36	C[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	3005.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #37	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O)C(O)C(=O)O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	3035.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #38	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C(O)C(O[Si](C)(C)C)C(=O)O	3013.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #39	C[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(=O)O[Si](C)(C)C	2971.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #4	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC(C(=O)O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O)C=C1O	3033.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #40	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(=O)O	3008.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #41	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)C(O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3152.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O	3180.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #6	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3162.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #7	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O	3080.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(=O)O	2995.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TMS,isomer #9	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O[Si](C)(C)C	3135.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3146.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #10	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O)=CC(O)=C1O[Si](C)(C)C	3015.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #11	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O	2954.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #12	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O	3008.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #13	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(=O)O	2937.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #14	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O[Si](C)(C)C	3087.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #15	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O	2993.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #16	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	2958.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #17	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	2964.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #18	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(=O)O[Si](C)(C)C	2969.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #19	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)O	3031.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #2	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O	3027.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #20	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)O)=CC(O[Si](C)(C)C)=C1O	3032.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #21	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)O)=CC(O)=C1O[Si](C)(C)C	2993.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #22	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)O	2946.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #23	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O)C(O[Si](C)(C)C)C(O)C(=O)O	3002.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #24	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C(O[Si](C)(C)C)C(O)C(=O)O	2962.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #25	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O[Si](C)(C)C)C(O)C(=O)O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	3015.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #26	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(O)C(O)C(=O)O	3014.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #27	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(O)C(O)C(=O)O	2966.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #28	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(=O)O	3027.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #29	C[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	2975.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #3	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(=O)O	2955.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #30	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O	3029.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #31	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1O	3044.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #32	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(=O)O)=CC(O)=C1O[Si](C)(C)C	3007.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #33	C[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O	2999.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #34	C[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	2957.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #35	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C)C(O)C(O)C(=O)O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	3026.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #36	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(=O)O	2962.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #37	C[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(=O)O[Si](C)(C)C	2936.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #38	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(=O)O	2953.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #39	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O[Si](C)(C)C	3104.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #4	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3108.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #40	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C(O)C(O)C(=O)O	2996.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #41	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O)C(O)C(O[Si](C)(C)C)C(=O)O	3017.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #42	C[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	2981.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #43	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C(O)C(O[Si](C)(C)C)C(=O)O	2982.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #44	C[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	2940.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #45	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C(O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2985.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #46	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O	3006.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #47	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	2974.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #48	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O)C(O[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	3053.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #49	C[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	2993.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #5	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O)=CC(O)=C1O	3084.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #50	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C(O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2962.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #6	C[Si](C)(C)OC1=C(O)C=C(C(=O)OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O)C=C1O	2992.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #7	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O	3156.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O	3030.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TMS,isomer #9	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1O	3047.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O	2997.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #10	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O)=CC(O)=C1O[Si](C)(C)C	3013.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #11	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O	2951.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O	2995.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #13	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O	2984.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #14	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	3048.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #15	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O	2967.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #16	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	2953.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #17	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	2928.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #18	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(=O)O[Si](C)(C)C	2929.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #19	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	2992.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(=O)O	2941.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #20	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	2982.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #21	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	2971.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #22	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)O	2977.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #23	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)O	2963.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #24	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	3037.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #25	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C(O[Si](C)(C)C)C(O)C(=O)O	3008.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #26	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(O)C(O)C(=O)O	2997.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #27	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(=O)O	2995.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #28	C[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	2958.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #29	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(=O)O	2982.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3074.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #30	C[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	2946.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #31	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	2948.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #32	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O	2988.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #33	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	2976.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #34	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	3044.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #35	C[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	2989.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #36	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(=O)O[Si](C)(C)C	2953.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #37	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C(O)C(O[Si](C)(C)C)C(=O)O	3011.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #38	C[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	2962.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #39	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O)C(O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2983.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #4	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O	2983.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #40	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C(O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2968.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #41	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	3005.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #5	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	2974.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #6	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2947.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #7	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2948.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #8	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O	3003.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,5TMS,isomer #9	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1O	3032.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O	2979.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,6TMS,isomer #10	C[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	3039.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,6TMS,isomer #11	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O	3004.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,6TMS,isomer #12	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	2985.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,6TMS,isomer #13	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	2942.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,6TMS,isomer #14	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	2953.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,6TMS,isomer #15	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	2980.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,6TMS,isomer #16	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)O	2995.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,6TMS,isomer #17	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(=O)O	3007.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,6TMS,isomer #18	C[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	2964.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,6TMS,isomer #19	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	2973.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,6TMS,isomer #2	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	2973.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,6TMS,isomer #20	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	2978.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,6TMS,isomer #21	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	2997.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,6TMS,isomer #22	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C(O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2983.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,6TMS,isomer #3	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2932.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,6TMS,isomer #4	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2946.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,6TMS,isomer #5	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	3003.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,6TMS,isomer #6	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2971.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,6TMS,isomer #7	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2975.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,6TMS,isomer #8	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O	2986.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,6TMS,isomer #9	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O	2980.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,7TMS,isomer #1	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	3000.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,7TMS,isomer #2	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2966.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,7TMS,isomer #3	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2973.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,7TMS,isomer #4	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2990.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,7TMS,isomer #5	C[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O	3003.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,7TMS,isomer #6	C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	2975.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,7TMS,isomer #7	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(OC(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	2992.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(C(O)C(=O)O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3561.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O)C(O)C(O)C(=O)O	3538.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O)C(O)C(=O)O)=CC(O)=C1O	3474.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC(C(=O)O)C(O)C(O)C(O)C(=O)O)C=C1O	3405.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)C(O)C(O)C(=O)O	3529.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3567.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3542.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3710.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3706.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3658.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(O)C(O)C(=O)O	3609.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC(O)=C1O	3622.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	3581.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O)C(O)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	3563.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O)C(O)C(=O)O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	3517.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(O)C(O)C(O)C(=O)O	3562.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC(C(=O)O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1O	3593.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O	3559.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3664.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O	3682.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	3675.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3694.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(C(O)C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3711.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O)=CC(O)=C1O	3608.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O)C=C1O	3563.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O	3680.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)O)=CC(O)=C1O	3618.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)O)C=C1O	3554.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)O	3693.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3776.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O)=CC(O)=C1O	3686.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O)C=C1O	3674.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O	3758.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O	3686.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	3676.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	3654.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O	3711.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)O	3701.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC(O)=C1O	3700.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	3683.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3763.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	3683.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	3649.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)O	3686.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1O	3699.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O	3690.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O	3773.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	3752.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3772.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(O)C(O)C(=O)O	3684.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(O)C(O)C(=O)O	3648.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC(O)=C1O	3701.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O	3714.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C	3693.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	3717.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	3721.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	3699.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	3680.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	3661.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O)C(O)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	3648.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O	3735.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	3727.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1O	3706.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O	3737.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3787.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O	3768.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3748.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	3688.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O	3718.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	3754.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(O[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)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O	3872.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	3847.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O	3885.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	3833.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O	3881.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	3863.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(OC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	3882.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	3861.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C	3838.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	3930.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O	3828.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	3840.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	3841.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	3818.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O	3859.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O	3852.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O	3823.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	3824.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)O	3834.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)O	3800.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O	3836.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C	3827.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O	3899.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	3833.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	3862.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	3841.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	3850.3	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	3831.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	3813.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O	3900.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	3903.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(=O)O	3892.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	3870.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3866.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[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)=C1)C(O)C(O)C(O)C(=O)O	3813.8	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O	3888.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C	3880.4	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O	3861.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C	3848.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3834.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(OC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	3885.6	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	3860.2	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	3857.9	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O[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)=C1)C(=O)O	3833.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O[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)C(=O)O)=CC(O)=C1O	3835.5	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3928.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC(C(=O)O)C(O[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)C(=O)O)C=C1O	3858.1	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O[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)C(=O)O	3869.7	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(OC(=O)C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O	3828.0	Semi standard non polar	33892256
2-O-Galloylgalactaric acid,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	3868.3	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 - 2-O-Galloylgalactaric acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-0udi-8902000000-5a88bcee444dd9e8fd9c	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-O-Galloylgalactaric acid GC-MS (4 TMS) - 70eV, Positive	splash10-0udi-3901020000-4b3d4be072aabed502b8	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-O-Galloylgalactaric acid 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 - 2-O-Galloylgalactaric acid 10V, Positive-QTOF	splash10-0gxt-1928000000-5651842f5d1362e1a2d7	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-O-Galloylgalactaric acid 20V, Positive-QTOF	splash10-0zi9-6952000000-1258300a0ab1d3b30acf	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-O-Galloylgalactaric acid 40V, Positive-QTOF	splash10-0ufr-5900000000-4c744a5cc2a4f72d6675	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-O-Galloylgalactaric acid 10V, Negative-QTOF	splash10-00or-7893000000-282d0b9d979c7e4ebf4b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-O-Galloylgalactaric acid 20V, Negative-QTOF	splash10-0690-8960000000-748eefb1b21effff29b6	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-O-Galloylgalactaric acid 40V, Negative-QTOF	splash10-01di-3920000000-768c83e69086ca761c33	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-O-Galloylgalactaric acid 10V, Positive-QTOF	splash10-0gvk-1598000000-1c64f7d1733071499b03	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-O-Galloylgalactaric acid 20V, Positive-QTOF	splash10-06ri-9540000000-7938213ac3d4955a373a	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-O-Galloylgalactaric acid 40V, Positive-QTOF	splash10-0ufr-5900000000-2e78ff04222c412c0cbc	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-O-Galloylgalactaric acid 10V, Negative-QTOF	splash10-046s-6494000000-1593879ef8ca97b45b91	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-O-Galloylgalactaric acid 20V, Negative-QTOF	splash10-00n3-6970000000-b705df28236f3c9b313d	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-O-Galloylgalactaric acid 40V, Negative-QTOF	splash10-056r-5900000000-040fcabe1c836d1f36b5	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)	2021-09-25	Wishart Lab	View Spectrum
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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 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, 900 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

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

FDB015901

KNApSAcK ID

Not Available

Chemspider ID

35014322

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

75060826

PDB ID

Not Available

ChEBI ID

Not Available

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 2-O-Galloylgalactaric acid (HMDB0036932)

MOL for HMDB0036932 (2-O-Galloylgalactaric acid)

3D MOL for HMDB0036932 (2-O-Galloylgalactaric acid)

3D SDF for HMDB0036932 (2-O-Galloylgalactaric acid)

3D-SDF for HMDB0036932 (2-O-Galloylgalactaric acid)

PDB for HMDB0036932 (2-O-Galloylgalactaric acid)

3D PDB for HMDB0036932 (2-O-Galloylgalactaric acid)

SMILES for HMDB0036932 (2-O-Galloylgalactaric acid)

INCHI for HMDB0036932 (2-O-Galloylgalactaric acid)

Structure for HMDB0036932 (2-O-Galloylgalactaric acid)

3D Structure for HMDB0036932 (2-O-Galloylgalactaric acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra