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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 01:24:51 UTC

Update Date

2022-03-07 02:56:23 UTC

HMDB ID

HMDB0039876

Secondary Accession Numbers

HMDB39876

Metabolite Identification

Common Name

Fagopyritol A1

Description

Fagopyritol A1 belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Fagopyritol A1 has been detected, but not quantified in, several different foods, such as chives (Allium schoenoprasum), lupines (Lupinus), purple lavers (Porphyra laciniata), nances (Byrsonima crassifolia), and other bread. This could make fagopyritol A1 a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Fagopyritol A1.

Structure

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

HMDB0039876
     RDKit          3D
Fagopyritol A1
 45 46  0  0  0  0  0  0  0  0999 V2000
   -3.0317    3.3568    0.1106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5346    2.2133   -0.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9815    0.9802    0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6318    0.9952    0.0741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9676   -0.1819    0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2678   -0.0244    0.6582 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3372   -0.1661   -0.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1012    1.1625   -0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2267    2.1764   -0.5903 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2350    1.0348   -1.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9409    2.2492   -1.1276 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1877   -0.0300   -0.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9008    0.4277    0.4357 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5532   -1.3416   -0.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5668   -2.1459   -1.5393 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2038   -1.2907    0.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2800   -1.2295    1.6308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6942   -1.3856    0.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1399   -2.5608   -0.0302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1494   -1.4172    0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5718   -2.5956   -0.3216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4965   -0.2329   -0.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8612   -0.1400   -0.8328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5080    4.1647   -0.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6449    2.2503   -0.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2459    2.1656   -1.5930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3915    0.9205    1.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7249   -0.3861   -1.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0082   -0.3780   -1.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4032    1.3139    0.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7504    2.4869    0.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8222    0.8071   -2.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3369    3.0159   -1.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9380   -0.1771   -1.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    1.3508    0.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2307   -1.8801    0.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8378   -1.5904   -2.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6756   -2.2430   -0.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793   -1.9979    2.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5023   -1.4711    1.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4775   -3.3233    0.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7015   -1.2314    1.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1402   -3.1409    0.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9136   -0.3742   -1.5526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0172   -0.1363   -1.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  5 28  1  0
  7 29  1  0
  8 30  1  0
  9 31  1  0
 10 32  1  0
 11 33  1  0
 12 34  1  0
 13 35  1  0
 14 36  1  0
 15 37  1  0
 16 38  1  0
 17 39  1  0
 18 40  1  0
 19 41  1  0
 20 42  1  0
 21 43  1  0
 22 44  1  0
 23 45  1  0
M  END

Structure #1
  Mrv0541 02241206332D          

 23 24  0  0  0  0            999 V2000
    2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  8 11  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 11 23  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039876

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2

> <INCHI_KEY>
VCWMRQDBPZKXKG-UHFFFAOYSA-N

> <FORMULA>
C12H22O11

> <MOLECULAR_WEIGHT>
342.2965

> <EXACT_MASS>
342.116211546

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
31.253485604984206

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol

> <ALOGPS_LOGP>
-2.45

> <JCHEM_LOGP>
-5.552845297666666

> <ALOGPS_LOGS>
0.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.477290004677378

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.977980182144128

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6457742773358683

> <JCHEM_POLAR_SURFACE_AREA>
200.52999999999997

> <JCHEM_REFRACTIVITY>
68.1883

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.90e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0039876
     RDKit          3D
Fagopyritol A1
 45 46  0  0  0  0  0  0  0  0999 V2000
   -3.0317    3.3568    0.1106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5346    2.2133   -0.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9815    0.9802    0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6318    0.9952    0.0741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9676   -0.1819    0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2678   -0.0244    0.6582 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3372   -0.1661   -0.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1012    1.1625   -0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2267    2.1764   -0.5903 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2350    1.0348   -1.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9409    2.2492   -1.1276 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1877   -0.0300   -0.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9008    0.4277    0.4357 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5532   -1.3416   -0.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5668   -2.1459   -1.5393 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2038   -1.2907    0.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2800   -1.2295    1.6308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6942   -1.3856    0.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1399   -2.5608   -0.0302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1494   -1.4172    0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5718   -2.5956   -0.3216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4965   -0.2329   -0.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8612   -0.1400   -0.8328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5080    4.1647   -0.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6449    2.2503   -0.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2459    2.1656   -1.5930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3915    0.9205    1.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7249   -0.3861   -1.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0082   -0.3780   -1.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4032    1.3139    0.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7504    2.4869    0.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8222    0.8071   -2.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3369    3.0159   -1.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9380   -0.1771   -1.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    1.3508    0.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2307   -1.8801    0.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8378   -1.5904   -2.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6756   -2.2430   -0.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793   -1.9979    2.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5023   -1.4711    1.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4775   -3.3233    0.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7015   -1.2314    1.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1402   -3.1409    0.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9136   -0.3742   -1.5526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0172   -0.1363   -1.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  5 28  1  0
  7 29  1  0
  8 30  1  0
  9 31  1  0
 10 32  1  0
 11 33  1  0
 12 34  1  0
 13 35  1  0
 14 36  1  0
 15 37  1  0
 16 38  1  0
 17 39  1  0
 18 40  1  0
 19 41  1  0
 20 42  1  0
 21 43  1  0
 22 44  1  0
 23 45  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Structure #1                                      
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       4.001   8.470   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.669   6.160   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.336   6.930   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.002   6.160   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       2.667   9.240   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       1.334   6.930   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      12.003   6.930   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      12.003   3.850   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       9.336   8.470   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       6.668   6.930   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       5.335   6.160   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
CONECT    1    2   13                                                       
CONECT    2    1    3   22                                                  
CONECT    3    2    4   14                                                  
CONECT    4    3   10   15                                                  
CONECT    5    6    7   16                                                  
CONECT    6    5    8   17                                                  
CONECT    7    5    9   18                                                  
CONECT    8    6   11   19                                                  
CONECT    9    7   11   20                                                  
CONECT   10    4   12   21                                                  
CONECT   11    8    9   23                                                  
CONECT   12   10   22   23                                                  
CONECT   13    1                                                            
CONECT   14    3                                                            
CONECT   15    4                                                            
CONECT   16    5                                                            
CONECT   17    6                                                            
CONECT   18    7                                                            
CONECT   19    8                                                            
CONECT   20    9                                                            
CONECT   21   10                                                            
CONECT   22    2   12                                                       
CONECT   23   11   12                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

COMPND    HMDB0039876
HETATM    1  O1  UNL     1      -3.032   3.357   0.111  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.535   2.213  -0.524  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.981   0.980   0.159  1.00  0.00           C  
HETATM    4  O2  UNL     1      -1.632   0.995   0.074  1.00  0.00           O  
HETATM    5  C3  UNL     1      -0.968  -0.182   0.030  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.268  -0.024   0.658  1.00  0.00           O  
HETATM    7  C4  UNL     1       1.337  -0.166  -0.224  1.00  0.00           C  
HETATM    8  C5  UNL     1       2.101   1.163  -0.169  1.00  0.00           C  
HETATM    9  O4  UNL     1       1.227   2.176  -0.590  1.00  0.00           O  
HETATM   10  C6  UNL     1       3.235   1.035  -1.139  1.00  0.00           C  
HETATM   11  O5  UNL     1       3.941   2.249  -1.128  1.00  0.00           O  
HETATM   12  C7  UNL     1       4.188  -0.030  -0.677  1.00  0.00           C  
HETATM   13  O6  UNL     1       4.901   0.428   0.436  1.00  0.00           O  
HETATM   14  C8  UNL     1       3.553  -1.342  -0.387  1.00  0.00           C  
HETATM   15  O7  UNL     1       3.567  -2.146  -1.539  1.00  0.00           O  
HETATM   16  C9  UNL     1       2.204  -1.291   0.227  1.00  0.00           C  
HETATM   17  O8  UNL     1       2.280  -1.230   1.631  1.00  0.00           O  
HETATM   18  C10 UNL     1      -1.694  -1.386   0.529  1.00  0.00           C  
HETATM   19  O9  UNL     1      -1.140  -2.561  -0.030  1.00  0.00           O  
HETATM   20  C11 UNL     1      -3.149  -1.417   0.287  1.00  0.00           C  
HETATM   21  O10 UNL     1      -3.572  -2.596  -0.322  1.00  0.00           O  
HETATM   22  C12 UNL     1      -3.497  -0.233  -0.621  1.00  0.00           C  
HETATM   23  O11 UNL     1      -4.861  -0.140  -0.833  1.00  0.00           O  
HETATM   24  H1  UNL     1      -3.508   4.165  -0.198  1.00  0.00           H  
HETATM   25  H2  UNL     1      -4.645   2.250  -0.477  1.00  0.00           H  
HETATM   26  H3  UNL     1      -3.246   2.166  -1.593  1.00  0.00           H  
HETATM   27  H4  UNL     1      -3.392   0.921   1.184  1.00  0.00           H  
HETATM   28  H5  UNL     1      -0.725  -0.386  -1.052  1.00  0.00           H  
HETATM   29  H6  UNL     1       1.008  -0.378  -1.262  1.00  0.00           H  
HETATM   30  H7  UNL     1       2.403   1.314   0.869  1.00  0.00           H  
HETATM   31  H8  UNL     1       0.750   2.487   0.205  1.00  0.00           H  
HETATM   32  H9  UNL     1       2.822   0.807  -2.135  1.00  0.00           H  
HETATM   33  H10 UNL     1       3.337   3.016  -1.111  1.00  0.00           H  
HETATM   34  H11 UNL     1       4.938  -0.177  -1.485  1.00  0.00           H  
HETATM   35  H12 UNL     1       4.644   1.351   0.658  1.00  0.00           H  
HETATM   36  H13 UNL     1       4.231  -1.880   0.340  1.00  0.00           H  
HETATM   37  H14 UNL     1       3.838  -1.590  -2.330  1.00  0.00           H  
HETATM   38  H15 UNL     1       1.676  -2.243  -0.009  1.00  0.00           H  
HETATM   39  H16 UNL     1       1.879  -1.998   2.068  1.00  0.00           H  
HETATM   40  H17 UNL     1      -1.502  -1.471   1.619  1.00  0.00           H  
HETATM   41  H18 UNL     1      -1.478  -3.323   0.540  1.00  0.00           H  
HETATM   42  H19 UNL     1      -3.701  -1.231   1.231  1.00  0.00           H  
HETATM   43  H20 UNL     1      -4.140  -3.141   0.252  1.00  0.00           H  
HETATM   44  H21 UNL     1      -2.914  -0.374  -1.553  1.00  0.00           H  
HETATM   45  H22 UNL     1      -5.017  -0.136  -1.812  1.00  0.00           H  
CONECT    1    2   24
CONECT    2    3   25   26
CONECT    3    4   22   27
CONECT    4    5
CONECT    5    6   18   28
CONECT    6    7
CONECT    7    8   16   29
CONECT    8    9   10   30
CONECT    9   31
CONECT   10   11   12   32
CONECT   11   33
CONECT   12   13   14   34
CONECT   13   35
CONECT   14   15   16   36
CONECT   15   37
CONECT   16   17   38
CONECT   17   39
CONECT   18   19   20   40
CONECT   19   41
CONECT   20   21   22   42
CONECT   21   43
CONECT   22   23   44
CONECT   23   45
END

HMDB0039876
     RDKit          3D
Fagopyritol A1
 45 46  0  0  0  0  0  0  0  0999 V2000
   -3.0317    3.3568    0.1106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5346    2.2133   -0.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9815    0.9802    0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6318    0.9952    0.0741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9676   -0.1819    0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2678   -0.0244    0.6582 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3372   -0.1661   -0.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1012    1.1625   -0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2267    2.1764   -0.5903 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2350    1.0348   -1.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9409    2.2492   -1.1276 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1877   -0.0300   -0.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9008    0.4277    0.4357 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5532   -1.3416   -0.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5668   -2.1459   -1.5393 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2038   -1.2907    0.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2800   -1.2295    1.6308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6942   -1.3856    0.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1399   -2.5608   -0.0302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1494   -1.4172    0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5718   -2.5956   -0.3216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4965   -0.2329   -0.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8612   -0.1400   -0.8328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5080    4.1647   -0.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6449    2.2503   -0.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2459    2.1656   -1.5930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3915    0.9205    1.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7249   -0.3861   -1.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0082   -0.3780   -1.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4032    1.3139    0.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7504    2.4869    0.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8222    0.8071   -2.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3369    3.0159   -1.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9380   -0.1771   -1.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    1.3508    0.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2307   -1.8801    0.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8378   -1.5904   -2.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6756   -2.2430   -0.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793   -1.9979    2.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5023   -1.4711    1.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4775   -3.3233    0.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7015   -1.2314    1.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1402   -3.1409    0.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9136   -0.3742   -1.5526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0172   -0.1363   -1.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  5 28  1  0
  7 29  1  0
  8 30  1  0
  9 31  1  0
 10 32  1  0
 11 33  1  0
 12 34  1  0
 13 35  1  0
 14 36  1  0
 15 37  1  0
 16 38  1  0
 17 39  1  0
 18 40  1  0
 19 41  1  0
 20 42  1  0
 21 43  1  0
 22 44  1  0
 23 45  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
3-O-a-D-Galactopyranosyl-D-chiro-inositol	HMDB
O-alpha-D-Galactopyranosyl-(1-3)-D-chiro-inositol	MeSH

Chemical Formula

C₁₂H₂₂O₁₁

Average Molecular Weight

342.2965

Monoisotopic Molecular Weight

342.116211546

IUPAC Name

6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol

Traditional Name

6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol

CAS Registry Number

209287-65-0

SMILES

OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2

InChI Key

VCWMRQDBPZKXKG-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

O-glycosyl compound
Cyclohexanol
Oxane
Monosaccharide
Cyclitol or derivatives
Cyclic alcohol
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

a galactosyl inositol (CPD-8257 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0039876)
Cytoplasm (HMDB: HMDB0039876)

Source

Exogenous

Food

Cereal and cereal product

Cereal product

Breakfast cereal (FooDB: FOOD00270)

Cereals and cereal products (FooDB: FOOD00858)

Process

Not Available

Role

Not Available

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	1000000 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	490 g/L	ALOGPS
logP	-2.4	ALOGPS
logP	-5.6	ChemAxon
logS	0.16	ALOGPS
pKa (Strongest Acidic)	11.98	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	200.53 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	68.19 m³·mol⁻¹	ChemAxon
Polarizability	31.25 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]+	179.862	31661259
DarkChem	[M-H]-	173.258	31661259
DeepCCS	[M+H]+	168.793	30932474
DeepCCS	[M-H]-	166.435	30932474
DeepCCS	[M-2H]-	199.803	30932474
DeepCCS	[M+Na]+	175.03	30932474
AllCCS	[M+H]+	178.7	32859911
AllCCS	[M+H-H2O]+	175.8	32859911
AllCCS	[M+NH4]+	181.4	32859911
AllCCS	[M+Na]+	182.2	32859911
AllCCS	[M-H]-	173.7	32859911
AllCCS	[M+Na-2H]-	173.0	32859911
AllCCS	[M+HCOO]-	172.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Fagopyritol A1	OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O	5081.8	Standard polar	33892256
Fagopyritol A1	OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O	3655.9	Standard non polar	33892256
Fagopyritol A1	OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O	3100.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Fagopyritol A1,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O	3073.2	Semi standard non polar	33892256
Fagopyritol A1,1TMS,isomer #2	C[Si](C)(C)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	3120.4	Semi standard non polar	33892256
Fagopyritol A1,1TMS,isomer #3	C[Si](C)(C)OC1C(O)C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	3128.9	Semi standard non polar	33892256
Fagopyritol A1,1TMS,isomer #4	C[Si](C)(C)OC1C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O	3141.9	Semi standard non polar	33892256
Fagopyritol A1,1TMS,isomer #5	C[Si](C)(C)OC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O	3134.1	Semi standard non polar	33892256
Fagopyritol A1,1TMS,isomer #6	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O)C(O)C(O)C2O)C1O	3126.9	Semi standard non polar	33892256
Fagopyritol A1,1TMS,isomer #7	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C1O	3143.7	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	3076.7	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #10	C[Si](C)(C)OC1C(O)C(O)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	3092.1	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #11	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O	3095.3	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #12	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)C1O	3084.3	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #13	C[Si](C)(C)OC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	3101.8	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #14	C[Si](C)(C)OC1C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C	3111.9	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #15	C[Si](C)(C)OC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	3079.5	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #16	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	3087.7	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #17	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)C1O	3074.7	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #18	C[Si](C)(C)OC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	3092.4	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #19	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	3102.4	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3066.6	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #20	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)C1O	3087.1	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #21	C[Si](C)(C)OC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O	3107.3	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #22	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O	3092.3	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #23	C[Si](C)(C)OC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C	3102.1	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #24	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C	3110.9	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	3073.7	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	3087.1	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	3076.1	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	3089.0	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #7	C[Si](C)(C)OC1C(O)C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C	3114.7	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #8	C[Si](C)(C)OC1C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O	3086.8	Semi standard non polar	33892256
Fagopyritol A1,2TMS,isomer #9	C[Si](C)(C)OC1C(O)C(O)C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)C1O	3091.8	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	3077.1	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3099.8	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3073.0	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3095.4	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	3122.0	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	3090.5	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	3116.5	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3092.8	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3094.3	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3100.8	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #19	C[Si](C)(C)OC1C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3126.8	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	3083.7	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #20	C[Si](C)(C)OC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3099.3	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #21	C[Si](C)(C)OC1C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	3110.8	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #22	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	3116.4	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #23	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	3097.5	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #24	C[Si](C)(C)OC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	3123.8	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #25	C[Si](C)(C)OC1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O)C1O	3097.5	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #26	C[Si](C)(C)OC1C(O)C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O	3083.4	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #27	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	3102.1	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #28	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1O	3071.7	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #29	C[Si](C)(C)OC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	3106.9	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	3079.0	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #30	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O	3107.6	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #31	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C1O	3079.4	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #32	C[Si](C)(C)OC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	3113.0	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #33	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O	3098.8	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #34	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)C1O	3082.6	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #35	C[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	3108.8	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #36	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3100.3	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #37	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3113.4	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #38	C[Si](C)(C)OC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	3109.3	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #39	C[Si](C)(C)OC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3116.5	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3095.4	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #40	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	3123.3	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #41	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1O	3089.3	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #42	C[Si](C)(C)OC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	3130.2	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #43	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	3084.8	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #44	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C1O	3053.7	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #45	C[Si](C)(C)OC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	3087.0	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #46	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	3090.7	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #47	C[Si](C)(C)OC1C(O)C(O)C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1O	3098.8	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #48	C[Si](C)(C)OC1C(O)C(O)C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	3096.8	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #49	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	3113.4	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3104.6	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #50	C[Si](C)(C)OC1C(O)C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	3120.0	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #51	C[Si](C)(C)OC1C(O)C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	3119.0	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #52	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3117.2	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3085.1	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3099.5	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3066.3	Semi standard non polar	33892256
Fagopyritol A1,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3100.2	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3064.2	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3090.9	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3082.2	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3075.7	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3019.6	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3079.8	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3091.1	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3030.5	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3099.6	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3017.4	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3039.0	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	3006.5	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3042.5	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3045.7	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3038.1	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	2983.8	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3043.1	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3100.6	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3034.4	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3102.3	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2983.8	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3009.9	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3078.1	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3001.0	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3031.4	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3058.9	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3052.4	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3009.5	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #35	C[Si](C)(C)OC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3120.2	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #36	C[Si](C)(C)OC1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	3082.0	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #37	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	3147.6	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #38	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	3093.8	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #39	C[Si](C)(C)OC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	3140.8	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3020.5	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #40	C[Si](C)(C)OC1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C	3056.0	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #41	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	3107.4	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #42	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	3046.6	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #43	C[Si](C)(C)OC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	3102.6	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #44	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	3130.2	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #45	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	3080.7	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #46	C[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	3123.1	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #47	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3111.0	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #48	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3123.8	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #49	C[Si](C)(C)OC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	3114.0	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3088.2	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #50	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	3096.9	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #51	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1O	3025.5	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #52	C[Si](C)(C)OC1C(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	3083.4	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #53	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	3092.0	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #54	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1O	3030.9	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #55	C[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	3089.8	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #56	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3099.0	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #57	C[Si](C)(C)OC1C(O)C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	3107.2	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #58	C[Si](C)(C)OC1C(O)C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3090.6	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #59	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3107.5	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	3005.6	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #60	C[Si](C)(C)OC1C(O)C(O)C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1O	3113.7	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #61	C[Si](C)(C)OC1C(O)C(O)C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	3100.8	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #62	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3092.5	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #63	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3104.4	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #64	C[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	3092.4	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #65	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3126.8	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #66	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	3120.5	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #67	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1O	3068.7	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #68	C[Si](C)(C)OC1C(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	3121.3	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #69	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	3121.9	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3019.3	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #70	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	3120.2	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #71	C[Si](C)(C)OC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C	3114.6	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #72	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	3061.3	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #73	C[Si](C)(C)OC1C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3081.8	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #74	C[Si](C)(C)OC1C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3055.8	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #75	C[Si](C)(C)OC1C(O)C(O)C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	3105.3	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #76	C[Si](C)(C)OC1C(O)C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	3140.3	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3085.7	Semi standard non polar	33892256
Fagopyritol A1,4TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3029.2	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	2813.2	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2838.4	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2840.3	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	2860.9	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2843.7	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2808.5	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2859.9	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2834.7	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2801.5	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2853.9	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2829.3	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	2835.8	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2847.1	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2852.0	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	2871.8	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	2836.1	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	2899.6	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	2835.1	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	2856.3	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	2857.5	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	2828.6	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	2849.9	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2847.4	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	2858.7	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	2867.8	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	2850.6	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	2806.1	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	2866.2	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2796.1	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2814.8	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2808.2	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	2835.0	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #39	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	2858.1	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2812.6	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	2855.8	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	2849.9	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	2887.9	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #43	C[Si](C)(C)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2921.3	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #44	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	2948.7	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #45	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	2866.6	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #46	C[Si](C)(C)OC1C(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	2906.8	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #47	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	2905.9	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #48	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	2841.1	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #49	C[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	2876.4	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2880.3	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #50	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(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	2906.0	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #51	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(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	2936.5	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #52	C[Si](C)(C)OC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	2899.7	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #53	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	2878.8	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #54	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	2819.1	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #55	C[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	2847.7	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #56	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2869.0	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #57	C[Si](C)(C)OC1C(O)C(OC2OC(CO)C(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	2874.4	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #58	C[Si](C)(C)OC1C(O)C(OC2OC(CO)C(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	2848.8	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #59	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2885.9	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2834.1	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #60	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2905.7	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #61	C[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	2870.0	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #62	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(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	2910.2	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #63	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2869.2	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #64	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2869.1	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #65	C[Si](C)(C)OC1C(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	2848.6	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #66	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2867.1	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #67	C[Si](C)(C)OC1C(O)C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	2861.4	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #68	C[Si](C)(C)OC1C(O)C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2843.9	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #69	C[Si](C)(C)OC1C(O)C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2898.1	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2802.0	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #70	C[Si](C)(C)OC1C(O)C(O)C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	2903.3	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #71	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2890.1	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #72	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	2876.5	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #73	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	2885.7	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #74	C[Si](C)(C)OC1C(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C	2860.8	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #75	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(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	2917.9	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #76	C[Si](C)(C)OC1C(O)C(OC2OC(CO)C(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	2868.3	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2852.3	Semi standard non polar	33892256
Fagopyritol A1,5TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2815.3	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	2783.0	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(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	2768.9	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(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	2731.2	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(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	2761.6	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(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	2752.7	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(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	2810.2	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(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	2776.4	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(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	2735.0	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(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	2784.9	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(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	2738.5	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(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	2768.8	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2742.9	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(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	2762.6	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(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	2719.5	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(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	2750.2	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(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	2738.7	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(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	2795.2	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	2762.1	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	2790.8	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	2777.8	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	2810.7	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	2812.3	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2708.3	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(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	2724.7	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(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	2750.6	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(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	2740.4	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(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	2738.3	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	2800.1	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #35	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	2832.9	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #36	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	2765.8	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #37	C[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	2797.7	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #38	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2783.6	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #39	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2786.5	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2756.6	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #40	C[Si](C)(C)OC1C(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	2756.3	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #41	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(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	2767.9	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #42	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(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	2773.5	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #43	C[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	2747.8	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #44	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(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	2826.8	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #45	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2746.4	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #46	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2753.1	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #47	C[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	2726.2	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #48	C[Si](C)(C)OC1C(O)C(OC2OC(CO)C(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	2771.7	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #49	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(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	2810.2	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(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	2757.8	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #50	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2782.1	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #51	C[Si](C)(C)OC1C(O)C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2777.1	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #52	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2787.9	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(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	2725.2	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(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	2771.7	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(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	2750.6	Semi standard non polar	33892256
Fagopyritol A1,6TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(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	2777.2	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(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	2725.9	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(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	2722.5	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(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	2721.6	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(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	2707.1	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(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	2723.2	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(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	2719.7	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(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	2736.1	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(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	2717.2	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	2729.3	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C)C(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	2717.1	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #19	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2742.7	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(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	2725.1	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #20	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2754.4	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #21	C[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	2720.6	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #22	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C)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	2738.9	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #23	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(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	2726.6	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #24	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2716.4	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(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	2736.3	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(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	2679.6	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(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	2686.1	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(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	2694.8	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(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	2688.3	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(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	2696.1	Semi standard non polar	33892256
Fagopyritol A1,7TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(O)C(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	2708.0	Semi standard non polar	33892256
Fagopyritol A1,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O	3341.4	Semi standard non polar	33892256
Fagopyritol A1,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	3340.7	Semi standard non polar	33892256
Fagopyritol A1,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	3360.6	Semi standard non polar	33892256
Fagopyritol A1,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O	3377.5	Semi standard non polar	33892256
Fagopyritol A1,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O	3360.3	Semi standard non polar	33892256
Fagopyritol A1,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O)C(O)C(O)C2O)C1O	3368.6	Semi standard non polar	33892256
Fagopyritol A1,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C1O	3374.0	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3523.5	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	3535.7	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3540.0	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	3523.9	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3532.8	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3552.4	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3541.9	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	3542.8	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	3521.0	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C(O)C1O	3533.2	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O	3567.2	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	3515.3	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1O	3544.8	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC(CO)C(O)C1O	3558.6	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3529.6	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3538.3	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3546.9	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	3534.0	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3534.2	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3523.1	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3534.9	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C(C)(C)C	3546.4	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3541.4	Semi standard non polar	33892256
Fagopyritol A1,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)C1O	3543.1	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3625.9	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3631.7	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3627.6	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3641.7	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3662.9	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3657.6	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3670.6	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3644.6	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3655.3	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3649.7	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3694.5	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3636.2	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3681.6	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	3681.0	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3678.1	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O	3644.9	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3655.7	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(CO)C(O)C(O)C1O	3675.1	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1C(O)C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3673.2	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3678.2	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	3650.9	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3655.5	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3634.8	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3679.1	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	3651.2	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3655.5	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3667.0	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	3632.9	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3643.2	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3643.6	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3648.0	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3645.7	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3688.5	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3633.7	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	3686.0	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	3659.5	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C(O)C1O	3663.0	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	3686.1	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	3677.1	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C(O)C1O	3661.6	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3646.7	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	3648.4	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O	3647.8	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3670.6	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3630.8	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	3671.9	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3671.2	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3675.9	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3622.6	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3643.2	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	3644.9	Semi standard non polar	33892256
Fagopyritol A1,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	3644.3	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3743.6	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3778.6	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(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)C(O)C1O	3748.4	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(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)C(O)C1O	3753.7	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	3776.7	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	3772.1	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(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)C(O)C1O	3733.7	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	3743.9	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	3753.8	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	3728.2	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	3737.8	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3747.6	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	3755.0	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	3753.5	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3781.0	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3808.8	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3791.8	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(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)C(O)C1O	3765.7	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	3777.3	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	3777.8	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	3743.7	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	3751.3	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3717.2	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	3761.8	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	3764.9	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	3776.5	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	3787.7	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O)C(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	3775.1	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1C(O)C(OC2OC(CO)C(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	3823.2	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	3816.2	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(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	3817.5	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(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	3816.6	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(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)OC(CO)C(O)C1O	3794.1	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3737.7	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C(C)(C)C	3812.5	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3829.6	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O	3837.8	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3810.1	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3810.6	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O	3807.4	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3782.9	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(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	3772.8	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(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	3784.9	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3785.5	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3745.9	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3830.9	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	3836.1	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3808.7	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3822.9	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	3833.2	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3798.4	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(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	3791.4	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(OC2OC(CO)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	3806.5	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(OC2OC(CO)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	3802.8	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #59	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3794.4	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3754.9	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #60	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	3810.0	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O	3806.4	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3758.1	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3774.4	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #64	CC(C)(C)[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3769.2	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(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	3761.3	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #66	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	3832.7	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #67	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	3840.7	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #68	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C(O)C1O	3813.7	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #69	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(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	3798.9	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3751.0	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #70	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(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	3812.0	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #71	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3812.5	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #72	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3821.3	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #73	CC(C)(C)[Si](C)(C)OC1C(O)C(OC2OC(CO)C(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	3830.9	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #74	CC(C)(C)[Si](C)(C)OC1C(O)C(OC2OC(CO)C(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	3833.0	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #75	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O	3771.6	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #76	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3793.8	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3761.7	Semi standard non polar	33892256
Fagopyritol A1,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3777.9	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (Non-derivatized) - 70eV, Positive	splash10-0ik9-5967000000-17b9d05f3095d9ac55d6	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (4 TMS) - 70eV, Positive	splash10-014i-2330129000-c97141e99c3af2c5e419	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_4_40) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_4_46) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_5_3) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_5_49) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_5_55) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_5_59) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_5_61) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_6_2) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_6_5) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_6_8) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_6_9) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_6_37) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_6_41) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_6_43) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_6_45) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_6_47) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_6_49) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_7_1) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_7_4) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_7_5) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_7_7) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_7_8) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Fagopyritol A1 GC-MS (TMS_7_10) - 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 - Fagopyritol A1 10V, Positive-QTOF	splash10-001l-0905000000-4ea6c68b909791d2ae70	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fagopyritol A1 20V, Positive-QTOF	splash10-001i-0900000000-b1e06e2350121e50e8e6	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fagopyritol A1 40V, Positive-QTOF	splash10-01q9-3900000000-6bfe3e65941afa00c820	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fagopyritol A1 10V, Negative-QTOF	splash10-002f-1819000000-223a27c801d90be869ee	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fagopyritol A1 20V, Negative-QTOF	splash10-004i-1901000000-cc1115216d0adf2e6abe	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fagopyritol A1 40V, Negative-QTOF	splash10-004i-7900000000-c7ece37837a5f7c4400a	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fagopyritol A1 10V, Positive-QTOF	splash10-001l-0905000000-4ea6c68b909791d2ae70	2015-05-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fagopyritol A1 20V, Positive-QTOF	splash10-001i-0900000000-b1e06e2350121e50e8e6	2015-05-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fagopyritol A1 40V, Positive-QTOF	splash10-01q9-3900000000-6bfe3e65941afa00c820	2015-05-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fagopyritol A1 10V, Negative-QTOF	splash10-002f-1819000000-223a27c801d90be869ee	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fagopyritol A1 20V, Negative-QTOF	splash10-004i-1901000000-cc1115216d0adf2e6abe	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fagopyritol A1 40V, Negative-QTOF	splash10-004i-7900000000-c7ece37837a5f7c4400a	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fagopyritol A1 10V, Positive-QTOF	splash10-0006-0109000000-3399056784f6ba73b1fe	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fagopyritol A1 20V, Positive-QTOF	splash10-01qa-4912000000-5823f29f00432ab2477d	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fagopyritol A1 40V, Positive-QTOF	splash10-0f76-9220000000-97b68a095c65fd9c4aa4	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fagopyritol A1 10V, Negative-QTOF	splash10-0006-0119000000-986d3977526af044112f	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fagopyritol A1 20V, Negative-QTOF	splash10-0ntl-9777000000-cede7031a90b55343997	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Fagopyritol A1 40V, Negative-QTOF	splash10-0a4r-9210000000-f6e01d7f8cecb526e42c	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB021454

KNApSAcK ID

Not Available

Chemspider ID

96419

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

107148

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1880671

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 Fagopyritol A1 (HMDB0039876)

MOL for HMDB0039876 (Fagopyritol A1)

3D MOL for HMDB0039876 (Fagopyritol A1)

3D SDF for HMDB0039876 (Fagopyritol A1)

3D-SDF for HMDB0039876 (Fagopyritol A1)

PDB for HMDB0039876 (Fagopyritol A1)

3D PDB for HMDB0039876 (Fagopyritol A1)

SMILES for HMDB0039876 (Fagopyritol A1)

INCHI for HMDB0039876 (Fagopyritol A1)

Structure for HMDB0039876 (Fagopyritol A1)

3D Structure for HMDB0039876 (Fagopyritol A1)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra