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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2012-09-12 01:15:33 UTC

Update Date

2022-09-22 18:35:11 UTC

HMDB ID

HMDB0039721

Secondary Accession Numbers

HMDB39721

Metabolite Identification

Common Name

4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid

Description

4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond. Based on a literature review very few articles have been published on 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid.

Structure

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

HMDB0039721
     RDKit          3D
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid
 43 44  0  0  0  0  0  0  0  0999 V2000
   -4.5525    2.5588    1.0436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5119    1.9360    1.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9643    2.0671    2.6410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8296    1.0339    0.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7152    0.4552    0.9755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9489   -0.0805   -0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2888   -0.4630    0.4159 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3653    0.1536   -0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3258    0.8143    0.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    1.3186    1.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9984    0.9158    3.1030 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6191    2.2423    1.8946 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3426   -0.0880    1.1409 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2882   -0.1837    0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0479   -1.3217    0.1902 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5410   -0.2104   -1.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2823   -0.8919   -2.1848 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2171   -0.8894   -0.9519 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6033   -1.3518   -2.0838 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6575   -1.2937   -0.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4909   -1.3039   -1.9826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1087   -1.3706   -0.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2788   -2.1881    0.8796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7739   -0.0612   -0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5076    0.3998   -1.1042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4676    2.9149    2.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5725    1.6113   -0.5239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8762    0.6857   -0.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0698    0.8770   -0.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6613    0.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5005    2.9331    2.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9736    0.6900    0.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480   -2.0771    0.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4269    0.8503   -1.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8071   -0.2365   -2.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3888   -1.7039   -0.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9581   -2.2809   -2.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1604   -2.2105   -0.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4669   -0.3487   -2.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6520   -1.8918   -1.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2302   -3.1308    0.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5217   -0.1772    0.8218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9126   -0.3637   -1.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  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  2  0
 10 12  1  0
  9 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  6 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24  4  1  0
 18  8  1  0
  3 26  1  0
  4 27  1  0
  6 28  1  0
  8 29  1  0
  9 30  1  0
 12 31  1  0
 14 32  1  0
 15 33  1  0
 16 34  1  0
 17 35  1  0
 18 36  1  0
 19 37  1  0
 20 38  1  0
 21 39  1  0
 22 40  1  0
 23 41  1  0
 24 42  1  0
 25 43  1  0
M  END


  Mrv1652305052017402D          

 25 26  0  0  0  0            999 V2000
    1.1487   -0.5025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2803   -0.5025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342   -0.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342   -1.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2803   -2.1525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7092   -4.6275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1381   -4.6275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4237   -4.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4237   -3.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1381   -2.9775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8526   -1.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1381   -2.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4237   -1.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4237   -0.9150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8632   -3.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1487   -2.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1487   -2.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8632   -1.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9947   -1.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7092   -2.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7092   -2.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9947   -3.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2803   -2.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342   -3.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342   -4.2150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039721

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1OC(C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)

> <INCHI_KEY>
IGSYEZFZPOZFNC-UHFFFAOYSA-N

> <FORMULA>
C12H18O13

> <MOLECULAR_WEIGHT>
370.2635

> <EXACT_MASS>
370.074740662

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
31.29270493848251

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-[(2-carboxy-4,5,6-trihydroxyoxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
-1.82

> <JCHEM_LOGP>
-4.062825787666667

> <ALOGPS_LOGS>
-0.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.4605700344066297

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.7975348767104853

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7319808284975666

> <JCHEM_POLAR_SURFACE_AREA>
223.66999999999996

> <JCHEM_REFRACTIVITY>
68.0715

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.25e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-[(2-carboxy-4,5,6-trihydroxyoxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0039721
     RDKit          3D
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid
 43 44  0  0  0  0  0  0  0  0999 V2000
   -4.5525    2.5588    1.0436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5119    1.9360    1.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9643    2.0671    2.6410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8296    1.0339    0.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7152    0.4552    0.9755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9489   -0.0805   -0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2888   -0.4630    0.4159 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3653    0.1536   -0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3258    0.8143    0.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    1.3186    1.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9984    0.9158    3.1030 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6191    2.2423    1.8946 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3426   -0.0880    1.1409 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2882   -0.1837    0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0479   -1.3217    0.1902 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5410   -0.2104   -1.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2823   -0.8919   -2.1848 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2171   -0.8894   -0.9519 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6033   -1.3518   -2.0838 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6575   -1.2937   -0.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4909   -1.3039   -1.9826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1087   -1.3706   -0.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2788   -2.1881    0.8796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7739   -0.0612   -0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5076    0.3998   -1.1042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4676    2.9149    2.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5725    1.6113   -0.5239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8762    0.6857   -0.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0698    0.8770   -0.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6613    0.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5005    2.9331    2.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9736    0.6900    0.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480   -2.0771    0.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4269    0.8503   -1.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8071   -0.2365   -2.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3888   -1.7039   -0.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9581   -2.2809   -2.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1604   -2.2105   -0.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4669   -0.3487   -2.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6520   -1.8918   -1.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2302   -3.1308    0.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5217   -0.1772    0.8218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9126   -0.3637   -1.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  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  2  0
 10 12  1  0
  9 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  6 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24  4  1  0
 18  8  1  0
  3 26  1  0
  4 27  1  0
  6 28  1  0
  8 29  1  0
  9 30  1  0
 12 31  1  0
 14 32  1  0
 15 33  1  0
 16 34  1  0
 17 35  1  0
 18 36  1  0
 19 37  1  0
 20 38  1  0
 21 39  1  0
 22 40  1  0
 23 41  1  0
 24 42  1  0
 25 43  1  0
M  END

HEADER    PROTEIN                                 05-MAY-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-MAY-20         0                                  
HETATM    1  O   UNK     0       2.144  -0.938   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      -0.523  -0.938   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       0.811  -1.708   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.811  -3.248   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -0.523  -4.018   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      -3.191  -8.638   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      -5.858  -8.638   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -4.524  -7.868   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.524  -6.328   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -5.858  -5.558   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -7.192  -3.248   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -5.858  -4.018   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.524  -3.248   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -4.524  -1.708   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       3.478  -6.328   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       2.144  -5.558   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.144  -4.018   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       3.478  -3.248   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -1.857  -3.248   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -3.191  -4.018   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -3.191  -5.558   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.857  -6.328   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -0.523  -5.558   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.811  -6.328   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       0.811  -7.868   0.000  0.00  0.00           O+0
CONECT    1    3                                                            
CONECT    2    3                                                            
CONECT    3    1    2    4                                                  
CONECT    4    3    5   17                                                  
CONECT    5    4   23                                                       
CONECT    6    8                                                            
CONECT    7    8                                                            
CONECT    8    6    7    9                                                  
CONECT    9    8   10   21                                                  
CONECT   10    9   12                                                       
CONECT   11   12                                                            
CONECT   12   10   11   13                                                  
CONECT   13   12   14   20                                                  
CONECT   14   13                                                            
CONECT   15   16                                                            
CONECT   16   15   17   24                                                  
CONECT   17    4   16   18                                                  
CONECT   18   17                                                            
CONECT   19   20                                                            
CONECT   20   13   19   21                                                  
CONECT   21    9   20   22                                                  
CONECT   22   21   23                                                       
CONECT   23    5   22   24                                                  
CONECT   24   16   23   25                                                  
CONECT   25   24                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   52    0
END

COMPND    HMDB0039721
HETATM    1  O1  UNL     1      -4.552   2.559   1.044  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.512   1.936   1.373  1.00  0.00           C  
HETATM    3  O2  UNL     1      -2.964   2.067   2.641  1.00  0.00           O  
HETATM    4  C2  UNL     1      -2.830   1.034   0.412  1.00  0.00           C  
HETATM    5  O3  UNL     1      -1.715   0.455   0.975  1.00  0.00           O  
HETATM    6  C3  UNL     1      -0.949  -0.080  -0.056  1.00  0.00           C  
HETATM    7  O4  UNL     1       0.289  -0.463   0.416  1.00  0.00           O  
HETATM    8  C4  UNL     1       1.365   0.154  -0.205  1.00  0.00           C  
HETATM    9  C5  UNL     1       2.326   0.814   0.761  1.00  0.00           C  
HETATM   10  C6  UNL     1       1.649   1.319   1.967  1.00  0.00           C  
HETATM   11  O5  UNL     1       1.998   0.916   3.103  1.00  0.00           O  
HETATM   12  O6  UNL     1       0.619   2.242   1.895  1.00  0.00           O  
HETATM   13  O7  UNL     1       3.343  -0.088   1.141  1.00  0.00           O  
HETATM   14  C7  UNL     1       4.288  -0.184   0.115  1.00  0.00           C  
HETATM   15  O8  UNL     1       5.048  -1.322   0.190  1.00  0.00           O  
HETATM   16  C8  UNL     1       3.541  -0.210  -1.223  1.00  0.00           C  
HETATM   17  O9  UNL     1       4.282  -0.892  -2.185  1.00  0.00           O  
HETATM   18  C9  UNL     1       2.217  -0.889  -0.952  1.00  0.00           C  
HETATM   19  O10 UNL     1       1.603  -1.352  -2.084  1.00  0.00           O  
HETATM   20  C10 UNL     1      -1.657  -1.294  -0.598  1.00  0.00           C  
HETATM   21  O11 UNL     1      -1.491  -1.304  -1.983  1.00  0.00           O  
HETATM   22  C11 UNL     1      -3.109  -1.371  -0.256  1.00  0.00           C  
HETATM   23  O12 UNL     1      -3.279  -2.188   0.880  1.00  0.00           O  
HETATM   24  C12 UNL     1      -3.774  -0.061  -0.013  1.00  0.00           C  
HETATM   25  O13 UNL     1      -4.508   0.400  -1.104  1.00  0.00           O  
HETATM   26  H1  UNL     1      -2.468   2.915   2.850  1.00  0.00           H  
HETATM   27  H2  UNL     1      -2.572   1.611  -0.524  1.00  0.00           H  
HETATM   28  H3  UNL     1      -0.876   0.686  -0.872  1.00  0.00           H  
HETATM   29  H4  UNL     1       1.070   0.877  -0.989  1.00  0.00           H  
HETATM   30  H5  UNL     1       2.858   1.661   0.248  1.00  0.00           H  
HETATM   31  H6  UNL     1       0.501   2.933   2.641  1.00  0.00           H  
HETATM   32  H7  UNL     1       4.974   0.690   0.164  1.00  0.00           H  
HETATM   33  H8  UNL     1       4.648  -2.077   0.647  1.00  0.00           H  
HETATM   34  H9  UNL     1       3.427   0.850  -1.524  1.00  0.00           H  
HETATM   35  H10 UNL     1       4.807  -0.236  -2.673  1.00  0.00           H  
HETATM   36  H11 UNL     1       2.389  -1.704  -0.193  1.00  0.00           H  
HETATM   37  H12 UNL     1       1.958  -2.281  -2.252  1.00  0.00           H  
HETATM   38  H13 UNL     1      -1.160  -2.211  -0.219  1.00  0.00           H  
HETATM   39  H14 UNL     1      -1.467  -0.349  -2.264  1.00  0.00           H  
HETATM   40  H15 UNL     1      -3.652  -1.892  -1.074  1.00  0.00           H  
HETATM   41  H16 UNL     1      -3.230  -3.131   0.565  1.00  0.00           H  
HETATM   42  H17 UNL     1      -4.522  -0.177   0.822  1.00  0.00           H  
HETATM   43  H18 UNL     1      -4.913  -0.364  -1.607  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   26
CONECT    4    5   24   27
CONECT    5    6
CONECT    6    7   20   28
CONECT    7    8
CONECT    8    9   18   29
CONECT    9   10   13   30
CONECT   10   11   11   12
CONECT   12   31
CONECT   13   14
CONECT   14   15   16   32
CONECT   15   33
CONECT   16   17   18   34
CONECT   17   35
CONECT   18   19   36
CONECT   19   37
CONECT   20   21   22   38
CONECT   21   39
CONECT   22   23   24   40
CONECT   23   41
CONECT   24   25   42
CONECT   25   43
END

HMDB0039721
     RDKit          3D
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid
 43 44  0  0  0  0  0  0  0  0999 V2000
   -4.5525    2.5588    1.0436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5119    1.9360    1.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9643    2.0671    2.6410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8296    1.0339    0.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7152    0.4552    0.9755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9489   -0.0805   -0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2888   -0.4630    0.4159 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3653    0.1536   -0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3258    0.8143    0.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    1.3186    1.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9984    0.9158    3.1030 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6191    2.2423    1.8946 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3426   -0.0880    1.1409 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2882   -0.1837    0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0479   -1.3217    0.1902 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5410   -0.2104   -1.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2823   -0.8919   -2.1848 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2171   -0.8894   -0.9519 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6033   -1.3518   -2.0838 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6575   -1.2937   -0.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4909   -1.3039   -1.9826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1087   -1.3706   -0.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2788   -2.1881    0.8796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7739   -0.0612   -0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5076    0.3998   -1.1042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4676    2.9149    2.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5725    1.6113   -0.5239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8762    0.6857   -0.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0698    0.8770   -0.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6613    0.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5005    2.9331    2.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9736    0.6900    0.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480   -2.0771    0.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4269    0.8503   -1.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8071   -0.2365   -2.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3888   -1.7039   -0.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9581   -2.2809   -2.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1604   -2.2105   -0.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4669   -0.3487   -2.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6520   -1.8918   -1.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2302   -3.1308    0.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5217   -0.1772    0.8218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9126   -0.3637   -1.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  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  2  0
 10 12  1  0
  9 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  6 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24  4  1  0
 18  8  1  0
  3 26  1  0
  4 27  1  0
  6 28  1  0
  8 29  1  0
  9 30  1  0
 12 31  1  0
 14 32  1  0
 15 33  1  0
 16 34  1  0
 17 35  1  0
 18 36  1  0
 19 37  1  0
 20 38  1  0
 21 39  1  0
 22 40  1  0
 23 41  1  0
 24 42  1  0
 25 43  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
4-O-a-D-Galactopyranuronosyl-D-galacturonate	Generator
4-O-a-D-Galactopyranuronosyl-D-galacturonic acid	Generator
4-O-alpha-D-Galactopyranuronosyl-D-galacturonate	Generator
4-O-Α-D-galactopyranuronosyl-D-galacturonate	Generator
4-O-Α-D-galactopyranuronosyl-D-galacturonic acid	Generator
Digalacturonate	HMDB, MeSH
Digalacturonic acid	HMDB
6-[(2-Carboxy-4,5,6-trihydroxyoxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate	Generator
Digalacturonic acid, (D,alpha-D)-isomer	MeSH
Sodium digalacturonate	MeSH
O-(alpha-D-Galactopyranosyluronic acid)-(1-4)-alpha-D-galactopyranuronic acid	MeSH

Chemical Formula

C₁₂H₁₈O₁₃

Average Molecular Weight

370.2635

Monoisotopic Molecular Weight

370.074740662

IUPAC Name

6-[(2-carboxy-4,5,6-trihydroxyoxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Traditional Name

6-[(2-carboxy-4,5,6-trihydroxyoxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS Registry Number

5894-59-7

SMILES

OC1OC(C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1O)C(O)=O

InChI Identifier

InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)

InChI Key

IGSYEZFZPOZFNC-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glucuronides

Alternative Parents

Substituents

O-glucuronide
1-o-glucuronide
Disaccharide
Glycosyl compound
O-glycosyl compound
Beta-hydroxy acid
Dicarboxylic acid or derivatives
Pyran
Oxane
Hydroxy acid
Secondary alcohol
Hemiacetal
Acetal
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Organic oxide
Carbonyl group
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Feces (PMID: 29808030)

Source

Exogenous

Food

Food (HMDB: HMDB0039721)

Endogenous

Microbe

Microbe (HMDB: HMDB0039721)

Not Available

Nutrient (HMDB: HMDB0039721)

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	125 g/L	ALOGPS
logP	-1.8	ALOGPS
logP	-4.1	ChemAxon
logS	-0.47	ALOGPS
pKa (Strongest Acidic)	2.8	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	223.67 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	68.07 m³·mol⁻¹	ChemAxon
Polarizability	31.29 Å³	ChemAxon
Number of Rings	2	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]+	181.198	31661259
DarkChem	[M-H]-	176.431	31661259
DeepCCS	[M+H]+	175.431	30932474
DeepCCS	[M-H]-	173.073	30932474
DeepCCS	[M-2H]-	206.294	30932474
DeepCCS	[M+Na]+	181.524	30932474
AllCCS	[M+H]+	181.3	32859911
AllCCS	[M+H-H2O]+	178.5	32859911
AllCCS	[M+NH4]+	183.8	32859911
AllCCS	[M+Na]+	184.6	32859911
AllCCS	[M-H]-	175.7	32859911
AllCCS	[M+Na-2H]-	175.1	32859911
AllCCS	[M+HCOO]-	174.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid	OC1OC(C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1O)C(O)=O	5017.9	Standard polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid	OC1OC(C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1O)C(O)=O	3322.6	Standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid	OC1OC(C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1O)C(O)=O	3066.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,1TMS,isomer #1	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C1O	3195.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,1TMS,isomer #2	C[Si](C)(C)OC1C(C(=O)O)OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C1O	3199.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,1TMS,isomer #3	C[Si](C)(C)OC1C(O)C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(C(=O)O)C1O	3203.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,1TMS,isomer #4	C[Si](C)(C)OC1C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(C(=O)O)C(O)C1O	3202.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,1TMS,isomer #5	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C(O)C1O	3162.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,1TMS,isomer #6	C[Si](C)(C)OC1C(O)C(O)OC(C(=O)O)C1OC1OC(C(=O)O)C(O)C(O)C1O	3194.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,1TMS,isomer #7	C[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C1O	3203.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,1TMS,isomer #8	C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1O	3166.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #1	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1O	3133.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #10	C[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O)C1O	3168.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #11	C[Si](C)(C)OC1C(C(=O)O)OC(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C)C(O)C1O	3161.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #12	C[Si](C)(C)OC1C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(C(=O)O)C(O[Si](C)(C)C)C1O	3157.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #13	C[Si](C)(C)OC1C(C(=O)O)OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C1O[Si](C)(C)C	3175.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #14	C[Si](C)(C)OC1C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(C(=O)O)C(O)C1O[Si](C)(C)C	3168.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #15	C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O	3139.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #16	C[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O)C1O	3164.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #17	C[Si](C)(C)OC1C(O)C(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C)OC(C(=O)O)C1O	3157.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #18	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	3139.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #19	C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C	3151.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #2	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	3129.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #20	C[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C)C1O	3171.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #21	C[Si](C)(C)OC1C(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C)OC(C(=O)O)C(O)C1O	3166.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #22	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	3149.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #23	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O)C(O)C2O)C(O)C(O)C1O	3127.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #24	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3131.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #25	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	3134.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #26	C[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C1O[Si](C)(C)C	3168.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #27	C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O)C(O)C1O	3143.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #28	C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1O	3151.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #3	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	3158.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #4	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	3157.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #5	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O	3165.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #6	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O	3133.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #7	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C	3151.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #8	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	3153.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TMS,isomer #9	C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O	3149.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1O	3114.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #10	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	3118.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #11	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	3136.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #12	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	3162.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #13	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	3150.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #14	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	3135.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #15	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C	3162.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #16	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	3158.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #17	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	3131.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #18	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	3152.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #19	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3137.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O)C(O)C1O	3073.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #20	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3160.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #21	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3158.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #22	C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3084.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #23	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3134.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #24	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3142.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #25	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3140.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #26	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3132.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #27	C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O	3147.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #28	C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O	3138.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #29	C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3140.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	3055.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #30	C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3129.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #31	C[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1O	3182.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #32	C[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1O	3171.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #33	C[Si](C)(C)OC1C(C(=O)O)OC(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	3173.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #34	C[Si](C)(C)OC1C(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C)OC(C(=O)O)C(O[Si](C)(C)C)C1O	3159.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #35	C[Si](C)(C)OC1C(C(=O)O)OC(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3171.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #36	C[Si](C)(C)OC1C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3186.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #37	C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3128.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #38	C[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	3178.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #39	C[Si](C)(C)OC1C(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C)OC(C(=O)O)C(O)C1O[Si](C)(C)C	3166.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #4	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O	3125.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #40	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3124.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #41	C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O	3124.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #42	C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O	3110.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #43	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	3052.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #44	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3116.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #45	C[Si](C)(C)OC1C(O)C(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(C(=O)O)C1O	3163.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #46	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3119.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #47	C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C	3144.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #48	C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C	3129.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #49	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	3078.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O	3102.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #50	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3132.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #51	C[Si](C)(C)OC1C(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(C(=O)O)C(O)C1O	3173.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #52	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3137.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #53	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3054.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #54	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	3049.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #55	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3105.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #56	C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O)C(O)C1O	3110.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #6	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C	3118.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #7	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3110.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #8	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	3088.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TMS,isomer #9	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	3133.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O)C(O)C1O	2967.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #10	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	2945.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #11	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	2914.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #12	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O)C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2945.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #13	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2991.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #14	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2966.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #15	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2975.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #16	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3002.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #17	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	2999.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #18	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	2991.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #19	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3003.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #2	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	2945.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #20	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2963.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #21	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2965.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #22	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2970.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #23	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2972.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #24	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2985.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #25	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2985.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #26	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	3091.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #27	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	3044.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #28	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	3097.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #29	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3020.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #3	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O	2997.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #30	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3059.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #31	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3110.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #32	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3020.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #33	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3076.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #34	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3086.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #35	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3098.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #36	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	2945.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #37	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2942.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #38	C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2941.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #39	C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2954.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #4	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O	2977.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #40	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2997.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #41	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2985.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #42	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2982.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #43	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2991.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #44	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2988.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #45	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3000.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #46	C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O	2978.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #47	C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3007.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #48	C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2985.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #49	C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2991.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #5	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C	2984.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #50	C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2969.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #51	C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3007.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #52	C[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	3089.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #53	C[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C	3072.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #54	C[Si](C)(C)OC1C(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(C(=O)O)C(O[Si](C)(C)C)C1O	3053.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #55	C[Si](C)(C)OC1C(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3102.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #56	C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2988.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #57	C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2973.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #58	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2933.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #59	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2968.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #6	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	2901.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #60	C[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O[Si](C)(C)C	3048.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #61	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2974.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #62	C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O	2949.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #63	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	2906.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #64	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2907.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #65	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2973.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #66	C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C	2956.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #67	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	2941.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #68	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2934.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #69	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2989.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #7	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O	2942.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #70	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	2920.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #8	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O	2929.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TMS,isomer #9	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C	2922.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	2863.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #10	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2911.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #11	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2855.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2813.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #13	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2861.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #14	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2895.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #15	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2888.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #16	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2869.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #17	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2868.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #18	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O)C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2890.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #19	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O)C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2861.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O	2902.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #20	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2924.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #21	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2935.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #22	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2921.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #23	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2942.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #24	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2922.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #25	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2938.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #26	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2928.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #27	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2901.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #28	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2928.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #29	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2915.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O	2879.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #30	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2934.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #31	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2984.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #32	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2998.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #33	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3006.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #34	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2999.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #35	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2982.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #36	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2880.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #37	C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2898.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #38	C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2865.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #39	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2880.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #4	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C	2892.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #40	C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2859.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #41	C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2920.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #42	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(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	2936.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #43	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(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	2921.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #44	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(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	2934.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #45	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(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	2923.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #46	C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2913.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #47	C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2908.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #48	C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2939.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #49	C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2912.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #5	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	2884.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #50	C[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O[Si](C)(C)C	2996.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #51	C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2889.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #52	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2874.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #53	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2856.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #54	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(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	2907.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #55	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2832.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #56	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2877.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #6	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	2835.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #7	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	2876.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #8	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2922.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,5TMS,isomer #9	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2918.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #1	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2790.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #10	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2853.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #11	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2754.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #12	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2777.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #13	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2764.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #14	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2829.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #15	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O)C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2804.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #16	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2839.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #17	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2878.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #18	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2851.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #19	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2878.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #2	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2747.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #20	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2867.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #21	C[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2952.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #22	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(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	2809.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #23	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(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	2785.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #24	C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2831.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #25	C[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2805.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #26	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(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	2872.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #27	C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2849.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #28	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(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	2776.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #3	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2788.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #4	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2831.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #5	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2836.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #6	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2814.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #7	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2778.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #8	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2813.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,6TMS,isomer #9	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2780.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,7TMS,isomer #1	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2743.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,7TMS,isomer #2	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2764.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,7TMS,isomer #3	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C)OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2757.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,7TMS,isomer #4	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2785.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,7TMS,isomer #5	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2784.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,7TMS,isomer #6	C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2766.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,7TMS,isomer #7	C[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C)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	2827.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,7TMS,isomer #8	C[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2780.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C1O	3462.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C1O	3446.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(O)C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(C(=O)O)C1O	3453.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(C(=O)O)C(O)C1O	3443.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C(O)C1O	3419.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(O)C(O)OC(C(=O)O)C1OC1OC(C(=O)O)C(O)C(O)C1O	3439.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C1O	3455.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1O	3424.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1O	3568.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1O	3593.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3588.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O	3593.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3610.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C	3606.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3563.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	3590.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1C(O)C(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC(C(=O)O)C1O	3582.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3576.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3571.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	3570.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	3591.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(O)C1O	3586.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3578.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(O)C(O)C2O)C(O)C(O)C1O	3550.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	3564.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3558.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C1O[Si](C)(C)C(C)(C)C	3584.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(C(=O)O)C(O)C(O)C1O	3558.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1O	3570.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O	3609.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	3608.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3609.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3582.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3603.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3578.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3574.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1O	3690.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3712.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3688.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	3717.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3703.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3701.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3708.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3717.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3723.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3727.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3691.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(C(=O)O)C(O)C(O)C1O	3668.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3702.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3710.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3661.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3679.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3671.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3696.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3697.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3682.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3674.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3694.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	3653.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3690.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	3712.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	3695.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3698.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1C(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O	3680.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3694.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3713.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3695.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O	3710.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1C(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C	3690.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3685.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3696.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3707.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3692.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3666.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3710.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1C(O)C(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(C(=O)O)C1O	3710.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3693.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3677.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3667.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3658.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3703.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3675.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1C(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(O)C1O	3690.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3665.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	3652.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3648.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3677.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(C(=O)O)C(O)C(O)C1O	3678.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3681.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	3688.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3678.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3685.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1OC(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)C1OC1OC(C(=O)O)C(O)C(O)C1O	3779.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3758.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3786.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1OC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3757.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3804.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3797.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3802.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(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)C(O)C(O)C1O	3787.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3788.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3829.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3802.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	3751.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3794.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3842.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3811.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3802.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3809.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3810.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)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)C(O)C1O	3818.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3858.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3843.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3852.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3793.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3841.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3827.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(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)C1O	3845.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3836.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3855.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3814.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3767.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3756.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)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)C1O	3768.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)O[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	3778.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3825.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(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	3797.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(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	3819.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(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	3817.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(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	3800.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(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	3803.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(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	3804.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3785.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3814.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3808.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3802.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3788.4	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3791.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O)C1OC1OC(C(=O)O)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	3795.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)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)C1O	3831.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C1O[Si](C)(C)C(C)(C)C	3845.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1C(OC2C(C(=O)O)OC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O	3842.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1C(OC2C(C(=O)O)OC(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3804.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3814.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3799.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3769.1	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #59	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(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	3810.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3752.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #60	CC(C)(C)[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3838.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(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	3793.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3825.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3801.8	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #64	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3787.2	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(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	3824.6	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #66	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3779.3	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #67	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3767.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #68	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3753.0	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #69	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O)OC(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	3784.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3788.5	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #70	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2C(C(=O)O[Si](C)(C)C(C)(C)C)OC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3747.7	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3825.9	Semi standard non polar	33892256
4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3775.5	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 - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-0ufr-2497000000-82e31b4b049c52858d1e	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (4 TMS) - 70eV, Positive	splash10-0006-8400059000-420d032381142c9881f5	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (TMS_3_51) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (TMS_4_26) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (TMS_4_52) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (TMS_4_54) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (TMS_4_69) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (TMS_4_70) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (TMS_5_1) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (TMS_5_21) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (TMS_5_32) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (TMS_5_36) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (TMS_5_42) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (TMS_5_54) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (TMS_5_55) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (TMS_5_56) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (TMS_6_1) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (TMS_6_2) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (TMS_6_3) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (TMS_6_16) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (TMS_6_17) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (TMS_6_22) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid GC-MS (TMS_6_23) - 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 - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid 10V, Positive-QTOF	splash10-0udi-0409000000-19dd12c844429cae6835	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid 20V, Positive-QTOF	splash10-004j-1904000000-63e05f274614995c5763	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid 40V, Positive-QTOF	splash10-00mt-2910000000-62249a033c0bed86be61	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid 10V, Negative-QTOF	splash10-016r-0259000000-5253b442bf407bd1b3cb	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid 20V, Negative-QTOF	splash10-0kbf-2936000000-f92e5242dd94879b0b5f	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid 40V, Negative-QTOF	splash10-0007-4920000000-f5d4c39326b0c58f06f9	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid 10V, Negative-QTOF	splash10-014i-2109000000-756217ddfc9a4e22f100	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid 20V, Negative-QTOF	splash10-0a6v-4943000000-0f910993bde24b191573	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid 40V, Negative-QTOF	splash10-0a5c-9720000000-01a3fbd9e80b92173672	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid 10V, Positive-QTOF	splash10-00di-0009000000-5810299fac33c0f4711b	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid 20V, Positive-QTOF	splash10-0f9b-1912000000-b6ac0a054be622758df5	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid 40V, Positive-QTOF	splash10-0103-4980000000-508358a8b494a88c90e5	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Feces
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	29808030	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Asthma	33739820	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Asthma	33739820	details

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

FDB019359

KNApSAcK ID

Not Available

Chemspider ID

3726961

KEGG Compound ID

C02273

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

4532283

PDB ID

Not Available

ChEBI ID

33809

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 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid (HMDB0039721)

MOL for HMDB0039721 (4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid)

3D MOL for HMDB0039721 (4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid)

3D SDF for HMDB0039721 (4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid)

3D-SDF for HMDB0039721 (4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid)

PDB for HMDB0039721 (4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid)

3D PDB for HMDB0039721 (4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid)

SMILES for HMDB0039721 (4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid)

INCHI for HMDB0039721 (4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid)

Structure for HMDB0039721 (4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid)

3D Structure for HMDB0039721 (4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra