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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:55:48 UTC

Update Date

2022-03-07 02:53:38 UTC

HMDB ID

HMDB0033216

Secondary Accession Numbers

HMDB33216

Metabolite Identification

Common Name

(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside

Description

(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Based on a literature review a small amount of articles have been published on (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside.

Structure

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

HMDB0033216
     RDKit          3D
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside
 55 55  0  0  0  0  0  0  0  0999 V2000
    1.1403   -1.8835    0.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7552   -0.6626    0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2391    0.1248   -0.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3424   -0.3714   -1.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6811   -0.5893   -0.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4633   -1.0702   -2.0872 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4164    0.6457   -0.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5297    1.6441   -1.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8357    0.2843   -0.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8404    1.2891    0.5174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2575   -0.0355    1.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3421    1.1795    1.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4662    0.7442    2.6728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3732    0.2169    0.5315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5077   -0.4767    0.9562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8541   -1.3574   -0.0190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9018   -1.0681   -0.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4131   -0.0778   -1.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3854   -0.6284   -2.6424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1081   -0.4868   -0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5681    0.6540   -0.8865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9431   -0.1067    1.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1671   -1.1730    2.1168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5535    0.4710    1.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3663    0.7530    2.7546 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7135   -2.3791    1.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8435   -2.4129    0.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3460    0.1892   -1.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3576    1.2256   -0.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0059   -1.3533   -1.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260    0.2977   -2.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8397   -1.3545   -0.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3246   -1.3714   -1.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5337    2.0268   -1.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2639    2.4230   -1.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9017    1.0505   -2.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2820    1.0707    0.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4943    0.1757   -1.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8658   -0.6889    0.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5114    1.6814    1.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4674   -0.7456    2.1364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3169    1.6188    2.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6124    1.9782    1.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7978    1.4566    3.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1791   -1.0657    1.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1604   -1.9945   -1.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2467    0.2551   -2.5350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9972    0.8420   -1.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6982   -0.9744   -3.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9314   -1.2332   -0.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1068    1.1688   -0.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6668    0.7057    1.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3436   -1.9722    1.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5568    1.4432    0.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1016   -0.0825    3.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  2 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 15  1  0
  1 26  1  0
  1 27  1  0
  3 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  5 32  1  0
  6 33  1  0
  8 34  1  0
  8 35  1  0
  8 36  1  0
  9 37  1  0
  9 38  1  0
  9 39  1  0
 10 40  1  0
 11 41  1  0
 12 42  1  0
 12 43  1  0
 13 44  1  0
 15 45  1  0
 17 46  1  0
 18 47  1  0
 18 48  1  0
 19 49  1  0
 20 50  1  0
 21 51  1  0
 22 52  1  0
 23 53  1  0
 24 54  1  0
 25 55  1  0
M  END


  Mrv0541 05061307002D          

 25 25  0  0  0  0            999 V2000
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    2.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    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
    1.4289    3.3000    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
    5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    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    4.9500    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
   -0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    4.0145    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
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  8  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  2  1  0  0  0  0
 16  3  1  0  0  0  0
 16 11  1  0  0  0  0
 17  6  1  0  0  0  0
 18  7  1  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22 14  1  0  0  0  0
 23 16  1  0  0  0  0
 24  9  1  0  0  0  0
 24 15  1  0  0  0  0
 25 10  1  0  0  0  0
 25 15  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0033216

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)(O)C(O)CCC(=C)C(CO)OC1OC(CO)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C16H30O9/c1-8(4-5-11(19)16(2,3)23)9(6-17)24-15-14(22)13(21)12(20)10(7-18)25-15/h9-15,17-23H,1,4-7H2,2-3H3

> <INCHI_KEY>
YTJFEBUQZTULAC-UHFFFAOYSA-N

> <FORMULA>
C16H30O9

> <MOLECULAR_WEIGHT>
366.404

> <EXACT_MASS>
366.188982558

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
37.658691034847706

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(hydroxymethyl)-6-[(1,6,7-trihydroxy-7-methyl-3-methylideneoctan-2-yl)oxy]oxane-3,4,5-triol

> <ALOGPS_LOGP>
-1.75

> <JCHEM_LOGP>
-2.425861097000001

> <ALOGPS_LOGS>
-1.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.10883358567969

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.198328633325586

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9645211803381644

> <JCHEM_POLAR_SURFACE_AREA>
160.07

> <JCHEM_REFRACTIVITY>
86.232

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.40e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(hydroxymethyl)-6-[(1,6,7-trihydroxy-7-methyl-3-methylideneoctan-2-yl)oxy]oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0033216
     RDKit          3D
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside
 55 55  0  0  0  0  0  0  0  0999 V2000
    1.1403   -1.8835    0.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7552   -0.6626    0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2391    0.1248   -0.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3424   -0.3714   -1.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6811   -0.5893   -0.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4633   -1.0702   -2.0872 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4164    0.6457   -0.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5297    1.6441   -1.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8357    0.2843   -0.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8404    1.2891    0.5174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2575   -0.0355    1.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3421    1.1795    1.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4662    0.7442    2.6728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3732    0.2169    0.5315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5077   -0.4767    0.9562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8541   -1.3574   -0.0190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9018   -1.0681   -0.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4131   -0.0778   -1.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3854   -0.6284   -2.6424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1081   -0.4868   -0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5681    0.6540   -0.8865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9431   -0.1067    1.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1671   -1.1730    2.1168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5535    0.4710    1.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3663    0.7530    2.7546 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7135   -2.3791    1.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8435   -2.4129    0.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3460    0.1892   -1.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3576    1.2256   -0.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0059   -1.3533   -1.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260    0.2977   -2.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8397   -1.3545   -0.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7978    1.4566    3.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1791   -1.0657    1.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1604   -1.9945   -1.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2467    0.2551   -2.5350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9972    0.8420   -1.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6982   -0.9744   -3.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9314   -1.2332   -0.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1068    1.1688   -0.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6668    0.7057    1.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3436   -1.9722    1.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5568    1.4432    0.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1016   -0.0825    3.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  2 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 15  1  0
  1 26  1  0
  1 27  1  0
  3 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  5 32  1  0
  6 33  1  0
  8 34  1  0
  8 35  1  0
  8 36  1  0
  9 37  1  0
  9 38  1  0
  9 39  1  0
 10 40  1  0
 11 41  1  0
 12 42  1  0
 12 43  1  0
 13 44  1  0
 15 45  1  0
 17 46  1  0
 18 47  1  0
 18 48  1  0
 19 49  1  0
 20 50  1  0
 21 51  1  0
 22 52  1  0
 23 53  1  0
 24 54  1  0
 25 55  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.001   5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.897   4.826   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001   8.470   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.669   6.160   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.336   6.930   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.336   8.470   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.002   9.240   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.668   8.470   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.668   6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       2.667   9.240   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      12.003   6.930   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -1.334   8.470   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      10.669   9.240   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       8.002  10.780   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       5.335   9.240   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -3.437   7.494   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       5.335   6.160   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       8.002   6.160   0.000  0.00  0.00           O+0
CONECT    1    8                                                            
CONECT    2   16                                                            
CONECT    3   16                                                            
CONECT    4    5    8                                                       
CONECT    5    4   11                                                       
CONECT    6    9   17                                                       
CONECT    7   10   18                                                       
CONECT    8    1    4    9                                                  
CONECT    9    6    8   24                                                  
CONECT   10    7   12   25                                                  
CONECT   11    5   16   19                                                  
CONECT   12   10   13   20                                                  
CONECT   13   12   14   21                                                  
CONECT   14   13   15   22                                                  
CONECT   15   14   24   25                                                  
CONECT   16    2    3   11   23                                             
CONECT   17    6                                                            
CONECT   18    7                                                            
CONECT   19   11                                                            
CONECT   20   12                                                            
CONECT   21   13                                                            
CONECT   22   14                                                            
CONECT   23   16                                                            
CONECT   24    9   15                                                       
CONECT   25   10   15                                                       
MASTER        0    0    0    0    0    0    0    0   25    0   50    0
END

COMPND    HMDB0033216
HETATM    1  C1  UNL     1       1.140  -1.883   0.707  1.00  0.00           C  
HETATM    2  C2  UNL     1       0.755  -0.663   0.418  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.239   0.125  -0.710  1.00  0.00           C  
HETATM    4  C4  UNL     1       2.342  -0.371  -1.531  1.00  0.00           C  
HETATM    5  C5  UNL     1       3.681  -0.589  -0.995  1.00  0.00           C  
HETATM    6  O1  UNL     1       4.463  -1.070  -2.087  1.00  0.00           O  
HETATM    7  C6  UNL     1       4.416   0.646  -0.542  1.00  0.00           C  
HETATM    8  C7  UNL     1       4.530   1.644  -1.689  1.00  0.00           C  
HETATM    9  C8  UNL     1       5.836   0.284  -0.155  1.00  0.00           C  
HETATM   10  O2  UNL     1       3.840   1.289   0.517  1.00  0.00           O  
HETATM   11  C9  UNL     1      -0.258  -0.036   1.312  1.00  0.00           C  
HETATM   12  C10 UNL     1       0.342   1.180   1.929  1.00  0.00           C  
HETATM   13  O3  UNL     1       1.466   0.744   2.673  1.00  0.00           O  
HETATM   14  O4  UNL     1      -1.373   0.217   0.532  1.00  0.00           O  
HETATM   15  C11 UNL     1      -2.508  -0.477   0.956  1.00  0.00           C  
HETATM   16  O5  UNL     1      -2.854  -1.357  -0.019  1.00  0.00           O  
HETATM   17  C12 UNL     1      -3.902  -1.068  -0.821  1.00  0.00           C  
HETATM   18  C13 UNL     1      -3.413  -0.078  -1.888  1.00  0.00           C  
HETATM   19  O6  UNL     1      -2.385  -0.628  -2.642  1.00  0.00           O  
HETATM   20  C14 UNL     1      -5.108  -0.487  -0.191  1.00  0.00           C  
HETATM   21  O7  UNL     1      -5.568   0.654  -0.887  1.00  0.00           O  
HETATM   22  C15 UNL     1      -4.943  -0.107   1.258  1.00  0.00           C  
HETATM   23  O8  UNL     1      -5.167  -1.173   2.117  1.00  0.00           O  
HETATM   24  C16 UNL     1      -3.554   0.471   1.403  1.00  0.00           C  
HETATM   25  O9  UNL     1      -3.366   0.753   2.755  1.00  0.00           O  
HETATM   26  H1  UNL     1       0.713  -2.379   1.577  1.00  0.00           H  
HETATM   27  H2  UNL     1       1.843  -2.413   0.113  1.00  0.00           H  
HETATM   28  H3  UNL     1       0.346   0.189  -1.418  1.00  0.00           H  
HETATM   29  H4  UNL     1       1.358   1.226  -0.447  1.00  0.00           H  
HETATM   30  H5  UNL     1       2.006  -1.353  -1.987  1.00  0.00           H  
HETATM   31  H6  UNL     1       2.426   0.298  -2.426  1.00  0.00           H  
HETATM   32  H7  UNL     1       3.840  -1.355  -0.223  1.00  0.00           H  
HETATM   33  H8  UNL     1       5.325  -1.371  -1.704  1.00  0.00           H  
HETATM   34  H9  UNL     1       3.534   2.027  -1.978  1.00  0.00           H  
HETATM   35  H10 UNL     1       5.264   2.423  -1.476  1.00  0.00           H  
HETATM   36  H11 UNL     1       4.902   1.050  -2.574  1.00  0.00           H  
HETATM   37  H12 UNL     1       6.282   1.071   0.497  1.00  0.00           H  
HETATM   38  H13 UNL     1       6.494   0.176  -1.033  1.00  0.00           H  
HETATM   39  H14 UNL     1       5.866  -0.689   0.410  1.00  0.00           H  
HETATM   40  H15 UNL     1       4.511   1.681   1.157  1.00  0.00           H  
HETATM   41  H16 UNL     1      -0.467  -0.746   2.136  1.00  0.00           H  
HETATM   42  H17 UNL     1      -0.317   1.619   2.740  1.00  0.00           H  
HETATM   43  H18 UNL     1       0.612   1.978   1.245  1.00  0.00           H  
HETATM   44  H19 UNL     1       1.798   1.457   3.270  1.00  0.00           H  
HETATM   45  H20 UNL     1      -2.179  -1.066   1.846  1.00  0.00           H  
HETATM   46  H21 UNL     1      -4.160  -1.994  -1.399  1.00  0.00           H  
HETATM   47  H22 UNL     1      -4.247   0.255  -2.535  1.00  0.00           H  
HETATM   48  H23 UNL     1      -2.997   0.842  -1.411  1.00  0.00           H  
HETATM   49  H24 UNL     1      -2.698  -0.974  -3.515  1.00  0.00           H  
HETATM   50  H25 UNL     1      -5.931  -1.233  -0.233  1.00  0.00           H  
HETATM   51  H26 UNL     1      -6.107   1.169  -0.236  1.00  0.00           H  
HETATM   52  H27 UNL     1      -5.667   0.706   1.475  1.00  0.00           H  
HETATM   53  H28 UNL     1      -5.344  -1.972   1.576  1.00  0.00           H  
HETATM   54  H29 UNL     1      -3.557   1.443   0.875  1.00  0.00           H  
HETATM   55  H30 UNL     1      -3.102  -0.082   3.255  1.00  0.00           H  
CONECT    1    2    2   26   27
CONECT    2    3   11
CONECT    3    4   28   29
CONECT    4    5   30   31
CONECT    5    6    7   32
CONECT    6   33
CONECT    7    8    9   10
CONECT    8   34   35   36
CONECT    9   37   38   39
CONECT   10   40
CONECT   11   12   14   41
CONECT   12   13   42   43
CONECT   13   44
CONECT   14   15
CONECT   15   16   24   45
CONECT   16   17
CONECT   17   18   20   46
CONECT   18   19   47   48
CONECT   19   49
CONECT   20   21   22   50
CONECT   21   51
CONECT   22   23   24   52
CONECT   23   53
CONECT   24   25   54
CONECT   25   55
END

HMDB0033216
     RDKit          3D
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside
 55 55  0  0  0  0  0  0  0  0999 V2000
    1.1403   -1.8835    0.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7552   -0.6626    0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2391    0.1248   -0.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3424   -0.3714   -1.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6811   -0.5893   -0.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4633   -1.0702   -2.0872 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4164    0.6457   -0.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5297    1.6441   -1.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8357    0.2843   -0.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8404    1.2891    0.5174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2575   -0.0355    1.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3421    1.1795    1.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4662    0.7442    2.6728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3732    0.2169    0.5315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5077   -0.4767    0.9562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8541   -1.3574   -0.0190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9018   -1.0681   -0.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4131   -0.0778   -1.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3854   -0.6284   -2.6424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1081   -0.4868   -0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5681    0.6540   -0.8865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9431   -0.1067    1.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1671   -1.1730    2.1168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5535    0.4710    1.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3663    0.7530    2.7546 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7135   -2.3791    1.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8435   -2.4129    0.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3460    0.1892   -1.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3576    1.2256   -0.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0059   -1.3533   -1.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260    0.2977   -2.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8397   -1.3545   -0.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3246   -1.3714   -1.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5337    2.0268   -1.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2639    2.4230   -1.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9017    1.0505   -2.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2820    1.0707    0.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4943    0.1757   -1.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8658   -0.6889    0.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5114    1.6814    1.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4674   -0.7456    2.1364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3169    1.6188    2.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6124    1.9782    1.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7978    1.4566    3.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1791   -1.0657    1.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1604   -1.9945   -1.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2467    0.2551   -2.5350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9972    0.8420   -1.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6982   -0.9744   -3.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9314   -1.2332   -0.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1068    1.1688   -0.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6668    0.7057    1.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3436   -1.9722    1.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5568    1.4432    0.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1016   -0.0825    3.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  2 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 15  1  0
  1 26  1  0
  1 27  1  0
  3 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  5 32  1  0
  6 33  1  0
  8 34  1  0
  8 35  1  0
  8 36  1  0
  9 37  1  0
  9 38  1  0
  9 39  1  0
 10 40  1  0
 11 41  1  0
 12 42  1  0
 12 43  1  0
 13 44  1  0
 15 45  1  0
 17 46  1  0
 18 47  1  0
 18 48  1  0
 19 49  1  0
 20 50  1  0
 21 51  1  0
 22 52  1  0
 23 53  1  0
 24 54  1  0
 25 55  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₁₆H₃₀O₉

Average Molecular Weight

366.404

Monoisotopic Molecular Weight

366.188982558

IUPAC Name

2-(hydroxymethyl)-6-[(1,6,7-trihydroxy-7-methyl-3-methylideneoctan-2-yl)oxy]oxane-3,4,5-triol

Traditional Name

2-(hydroxymethyl)-6-[(1,6,7-trihydroxy-7-methyl-3-methylideneoctan-2-yl)oxy]oxane-3,4,5-triol

CAS Registry Number

219814-32-1

SMILES

CC(C)(O)C(O)CCC(=C)C(CO)OC1OC(CO)C(O)C(O)C1O

InChI Identifier

InChI=1S/C16H30O9/c1-8(4-5-11(19)16(2,3)23)9(6-17)24-15-14(22)13(21)12(20)10(7-18)25-15/h9-15,17-23H,1,4-7H2,2-3H3

InChI Key

YTJFEBUQZTULAC-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acyl glycosides

Direct Parent

Fatty acyl glycosides of mono- and disaccharides

Alternative Parents

Substituents

Fatty acyl glycoside of mono- or disaccharide
Alkyl glycoside
Glycosyl compound
O-glycosyl compound
Fatty alcohol
Monosaccharide
Oxane
Tertiary alcohol
Secondary alcohol
Acetal
Organoheterocyclic compound
Oxacycle
Polyol
Organooxygen compound
Primary alcohol
Hydrocarbon derivative
Organic oxygen compound
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0033216)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0033216)

Source

Endogenous

Endogenous (HMDB: HMDB0033216)

Plant

Plant (HMDB: HMDB0033216)

Animal

Animal (HMDB: HMDB0033216)

Exogenous

Food

Food (HMDB: HMDB0033216)

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Exogenous (HMDB: HMDB0033216)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0033216)

Biochemical pathway

Metabolic pathway

Fatty Acid Metabolism (HMDB: HMDB0033216)

Lipid metabolism pathway (HMDB: HMDB0033216)

Cellular process

Cell signaling (HMDB: HMDB0033216)

Biochemical process

Lipid transport (HMDB: HMDB0033216)

Role

Biological role

Energy source (HMDB: HMDB0033216)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0033216)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	24 g/L	ALOGPS
logP	-1.8	ALOGPS
logP	-2.4	ChemAxon
logS	-1.2	ALOGPS
pKa (Strongest Acidic)	12.2	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	160.07 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	86.23 m³·mol⁻¹	ChemAxon
Polarizability	37.66 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	185.33	31661259
DarkChem	[M-H]-	181.708	31661259
DeepCCS	[M+H]+	184.563	30932474
DeepCCS	[M-H]-	182.205	30932474
DeepCCS	[M-2H]-	216.284	30932474
DeepCCS	[M+Na]+	191.637	30932474
AllCCS	[M+H]+	187.7	32859911
AllCCS	[M+H-H2O]+	185.2	32859911
AllCCS	[M+NH4]+	190.0	32859911
AllCCS	[M+Na]+	190.6	32859911
AllCCS	[M-H]-	186.8	32859911
AllCCS	[M+Na-2H]-	187.5	32859911
AllCCS	[M+HCOO]-	188.4	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022.	1.85 minutes	32390414
Predicted by Siyang on May 30, 2022	10.181 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	6.39 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	253.7 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	1013.0 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	193.4 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	71.6 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	170.8 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	58.3 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	297.0 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	324.1 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	332.7 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	615.5 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	102.7 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	859.4 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	183.1 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	220.9 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	436.7 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	330.0 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	169.8 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside	CC(C)(O)C(O)CCC(=C)C(CO)OC1OC(CO)C(O)C(O)C1O	3413.5	Standard polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside	CC(C)(O)C(O)CCC(=C)C(CO)OC1OC(CO)C(O)C(O)C1O	2928.0	Standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside	CC(C)(O)C(O)CCC(=C)C(CO)OC1OC(CO)C(O)C(O)C1O	2865.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,1TMS,isomer #1	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO)C(O)C(O)C1O	3014.0	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,1TMS,isomer #2	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO)OC1OC(CO)C(O)C(O)C1O	2932.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,1TMS,isomer #3	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO)C(O)C(O)C1O	2928.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,1TMS,isomer #4	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	2925.0	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,1TMS,isomer #5	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	2925.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,1TMS,isomer #6	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	2916.2	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,1TMS,isomer #7	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	2922.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TMS,isomer #1	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO)C(O)C(O)C1O	2969.0	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TMS,isomer #10	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	2878.1	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TMS,isomer #11	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	2886.0	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TMS,isomer #12	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	2848.8	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TMS,isomer #13	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	2872.1	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TMS,isomer #14	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	2842.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TMS,isomer #15	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	2862.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TMS,isomer #16	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2887.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TMS,isomer #17	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2877.2	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TMS,isomer #18	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2892.9	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TMS,isomer #19	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2889.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TMS,isomer #2	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO)C(O)C(O)C1O	2968.0	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TMS,isomer #20	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2878.1	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TMS,isomer #21	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2884.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TMS,isomer #3	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	2970.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TMS,isomer #4	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	2980.6	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TMS,isomer #5	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	2963.6	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TMS,isomer #6	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	2978.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TMS,isomer #7	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO)C(O)C(O)C1O	2863.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TMS,isomer #8	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	2883.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TMS,isomer #9	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	2898.6	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #1	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO)C(O)C(O)C1O	2879.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #10	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2911.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #11	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2906.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #12	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2916.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #13	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2928.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #14	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2926.1	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #15	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2927.6	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #16	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	2750.6	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #17	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	2779.1	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #18	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	2762.8	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #19	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	2762.2	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #2	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	2906.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #20	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2812.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #21	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2812.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #22	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2814.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #23	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2827.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #24	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2830.8	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #25	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2821.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #26	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2763.1	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #27	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2749.2	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #28	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2770.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #29	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2777.0	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #3	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	2926.2	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #30	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2774.6	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #31	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2772.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #32	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2819.9	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #33	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2814.6	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #34	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2811.9	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #35	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2837.9	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #4	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	2905.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #5	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	2920.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #6	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	2855.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #7	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	2884.0	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #8	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	2866.0	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TMS,isomer #9	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	2881.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #1	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	2805.0	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #10	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2852.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #11	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2804.2	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #12	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2813.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #13	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2804.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #14	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2812.1	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #15	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2822.8	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #16	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2803.0	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #17	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2862.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #18	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2864.1	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #19	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2851.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #2	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	2828.6	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #20	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2865.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #21	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2714.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #22	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2720.6	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #23	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2714.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #24	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2720.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #25	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2728.0	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #26	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2714.9	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #27	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2762.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #28	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2769.2	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #29	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2756.6	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #3	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	2809.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #30	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2766.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #31	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2736.8	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #32	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2740.2	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #33	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2734.9	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #34	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2750.9	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #35	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2801.1	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #4	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	2821.8	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #5	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2860.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #6	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2855.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #7	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2857.6	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #8	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2859.9	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TMS,isomer #9	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2873.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,5TMS,isomer #1	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2789.8	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,5TMS,isomer #10	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2800.9	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,5TMS,isomer #11	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2779.9	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,5TMS,isomer #12	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2781.8	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,5TMS,isomer #13	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2771.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,5TMS,isomer #14	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2755.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,5TMS,isomer #15	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2808.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,5TMS,isomer #16	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2684.1	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,5TMS,isomer #17	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2682.8	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,5TMS,isomer #18	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2688.0	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,5TMS,isomer #19	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2665.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,5TMS,isomer #2	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2806.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,5TMS,isomer #20	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2705.1	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,5TMS,isomer #21	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2727.2	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,5TMS,isomer #3	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2778.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,5TMS,isomer #4	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2787.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,5TMS,isomer #5	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2787.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,5TMS,isomer #6	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2776.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,5TMS,isomer #7	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2826.1	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,5TMS,isomer #8	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2821.6	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,5TMS,isomer #9	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2813.2	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,6TMS,isomer #1	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2783.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,6TMS,isomer #2	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2769.8	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,6TMS,isomer #3	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2778.0	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,6TMS,isomer #4	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2742.9	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,6TMS,isomer #5	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2789.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,6TMS,isomer #6	C=C(CCC(O)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2737.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,6TMS,isomer #7	C=C(CCC(O[Si](C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2652.9	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,7TMS,isomer #1	C=C(CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C(CO[Si](C)(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2764.8	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,1TBDMS,isomer #1	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO)C(O)C(O)C1O	3251.9	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,1TBDMS,isomer #2	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO)OC1OC(CO)C(O)C(O)C1O	3170.6	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,1TBDMS,isomer #3	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O)C(O)C1O	3146.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,1TBDMS,isomer #4	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3142.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,1TBDMS,isomer #5	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3165.1	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,1TBDMS,isomer #6	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3159.2	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,1TBDMS,isomer #7	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3162.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TBDMS,isomer #1	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO)C(O)C(O)C1O	3424.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TBDMS,isomer #10	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3346.9	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TBDMS,isomer #11	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3331.0	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TBDMS,isomer #12	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3271.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TBDMS,isomer #13	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3286.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TBDMS,isomer #14	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3269.6	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TBDMS,isomer #15	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3277.8	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TBDMS,isomer #16	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3297.6	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TBDMS,isomer #17	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3290.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TBDMS,isomer #18	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3285.2	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TBDMS,isomer #19	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3297.8	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TBDMS,isomer #2	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O)C(O)C1O	3409.2	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TBDMS,isomer #20	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3293.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TBDMS,isomer #21	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3300.1	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TBDMS,isomer #3	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3390.8	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TBDMS,isomer #4	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3414.2	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TBDMS,isomer #5	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3405.8	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TBDMS,isomer #6	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3398.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TBDMS,isomer #7	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O)C(O)C1O	3337.0	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TBDMS,isomer #8	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3324.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,2TBDMS,isomer #9	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3350.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #1	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O)C(O)C1O	3563.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #10	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3547.1	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #11	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3562.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #12	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3533.9	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #13	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3570.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #14	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3556.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #15	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3571.2	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #16	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3440.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #17	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3466.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #18	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3475.1	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #19	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3452.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #2	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3558.8	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #20	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3480.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #21	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3497.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #22	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3465.9	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #23	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3503.6	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #24	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3491.0	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #25	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3506.1	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #26	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3396.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #27	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3394.9	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #28	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3388.9	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #29	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3411.6	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #3	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3580.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #30	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3412.1	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #31	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3419.0	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #32	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO[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	3447.1	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #33	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO[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	3432.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #34	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO[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	3439.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #35	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3450.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #4	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3574.2	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #5	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3559.6	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #6	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3509.8	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #7	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3539.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #8	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3541.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,3TBDMS,isomer #9	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3525.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #1	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3665.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #10	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3729.6	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #11	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3659.2	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #12	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3683.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #13	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3654.0	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #14	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3681.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #15	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3673.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #16	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3689.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #17	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO[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	3716.9	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #18	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO[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	3705.6	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #19	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO[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	3712.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #2	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3675.1	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #20	C=C(CCC(O)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3721.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #21	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3615.6	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #22	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3637.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #23	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3613.0	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #24	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3635.8	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #25	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3626.0	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #26	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3645.8	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #27	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO)OC1OC(CO[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	3672.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #28	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO)OC1OC(CO[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	3663.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #29	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO)OC1OC(CO[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	3670.2	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #3	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3692.6	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #30	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O)C(CO)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3667.8	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #31	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO[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	3587.9	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #32	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO[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	3580.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #33	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO[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	3584.1	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #34	C=C(CCC(O)C(C)(C)O)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3593.0	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #35	C=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3625.3	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #4	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3670.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #5	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3693.7	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #6	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3717.4	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #7	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3685.8	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #8	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3722.5	Semi standard non polar	33892256
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,isomer #9	C=C(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C)C(CO)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3716.5	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0btj-9417000000-3c927d79f6165703b1c9	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside GC-MS (4 TMS) - 70eV, Positive	splash10-0f83-4930138000-ecf85515974cbb2ba901	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside GC-MS (TBDMS_4_24) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside GC-MS (TBDMS_4_27) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside GC-MS ("(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside,4TBDMS,#24" TMS) - 70eV, Positive	Not Available	2021-10-14	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 - (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside 10V, Positive-QTOF	splash10-05n1-0749000000-d7e21e43349522baeddb	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside 20V, Positive-QTOF	splash10-000i-1921000000-5f7147c2dceb48600ce8	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside 40V, Positive-QTOF	splash10-00kr-2910000000-ee28503b57c6527225c8	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside 10V, Negative-QTOF	splash10-0gb9-1449000000-a6eaf2fb7096e82a8273	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside 20V, Negative-QTOF	splash10-0uds-1964000000-33c40224eb695865b8be	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside 40V, Negative-QTOF	splash10-0f7c-7930000000-e82a6d2d43f0186a5b17	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside 10V, Negative-QTOF	splash10-014i-0109000000-ff14b1a012401840cb8f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside 20V, Negative-QTOF	splash10-0a4i-6749000000-d83668e45fb735815c6f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside 40V, Negative-QTOF	splash10-0abl-9710000000-3344490c7191aab36bf6	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside 10V, Positive-QTOF	splash10-015i-0809000000-52b83987743d6222211a	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside 20V, Positive-QTOF	splash10-014j-4902000000-3e2156effc175418bb51	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside 40V, Positive-QTOF	splash10-03y0-8920000000-b61f57414f10c7a92597	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Membrane

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

FDB011230

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

85242164

PDB ID

Not Available

ChEBI ID

169257

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside (HMDB0033216)

MOL for HMDB0033216 ((2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside)

3D MOL for HMDB0033216 ((2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside)

3D SDF for HMDB0033216 ((2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside)

3D-SDF for HMDB0033216 ((2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside)

PDB for HMDB0033216 ((2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside)

3D PDB for HMDB0033216 ((2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside)

SMILES for HMDB0033216 ((2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside)

INCHI for HMDB0033216 ((2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside)

Structure for HMDB0033216 ((2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside)

3D Structure for HMDB0033216 ((2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra