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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 02:09:34 UTC

Update Date

2022-03-07 02:56:39 UTC

HMDB ID

HMDB0040600

Secondary Accession Numbers

HMDB40600

Metabolite Identification

Common Name

(1x,2x)-Guaiacylglycerol 3-glucoside

Description

(1x,2x)-Guaiacylglycerol 3-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 (1x,2x)-Guaiacylglycerol 3-glucoside.

Structure

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

  Mrv0541 05061311582D          

 26 27  0  0  0  0            999 V2000
   -1.4289    0.8250    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
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
    2.1434    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
   -1.4289    2.4750    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
   -0.7145    2.0625    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
    6.4302    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
   -0.7145    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
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  7  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 10  8  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17  5  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  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 15  1  0  0  0  0
 24  1  1  0  0  0  0
 24 10  1  0  0  0  0
 25  6  1  0  0  0  0
 25 16  1  0  0  0  0
 26 11  1  0  0  0  0
 26 16  1  0  0  0  0
M  END

HMDB0040600
     RDKit          3D
(1x,2x)-Guaiacylglycerol 3-glucoside
 50 51  0  0  0  0  0  0  0  0999 V2000
    5.3144    2.5766    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8859    1.3131    0.2595 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1051    0.1873    0.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7814    0.2965   -0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0458   -0.8745   -0.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6173   -0.7570   -0.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9829    0.2528    0.0139 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8387   -2.0302   -0.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8326   -2.3360    0.8730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6191   -1.7040   -0.8349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9947   -0.6299   -0.0517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3021   -0.2307   -0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9736   -0.2906    0.9331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3328   -0.1087    0.7006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0419   -0.3591    2.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7421   -1.6700    2.3888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6435    1.2487    0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2544    1.9941    1.1646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4492    2.0056   -0.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0566    2.9429    0.6653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2937    1.1794   -0.7551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1903    1.1360   -2.1636 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6236   -2.1039   -0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9671   -2.1841    0.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7090   -1.0346    0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0488   -1.1260    0.7160 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4007    2.7339    0.6354 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0379    2.7299   -1.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0526    3.3517    0.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3134    1.2569   -0.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5334   -0.4829   -1.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0817    1.0977   -0.4751 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1995   -2.8739   -1.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5626   -1.8254    1.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2604   -2.5854   -0.7126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6185   -1.3844   -1.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7668   -0.8818   -1.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6953   -0.8762   -0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1338   -0.2661    1.9312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6631    0.3214    2.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4149   -1.6959    3.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4015    1.1909   -0.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2065    1.7609    1.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7530    2.6450   -1.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2484    2.5257    1.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3497    1.6820   -0.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3845    2.0608   -2.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128   -2.9981   -0.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -3.1718    0.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4807   -2.0084    0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  5 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25  3  1  0
 21 12  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  6 31  1  0
  7 32  1  0
  8 33  1  0
  9 34  1  0
 10 35  1  0
 10 36  1  0
 12 37  1  0
 14 38  1  0
 15 39  1  0
 15 40  1  0
 16 41  1  0
 17 42  1  0
 18 43  1  0
 19 44  1  0
 20 45  1  0
 21 46  1  0
 22 47  1  0
 23 48  1  0
 24 49  1  0
 26 50  1  0
M  END

  Mrv0541 05061311582D          

 26 27  0  0  0  0            999 V2000
   -1.4289    0.8250    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
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
    2.1434    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
   -1.4289    2.4750    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
   -0.7145    2.0625    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
    6.4302    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
   -0.7145    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
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  7  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 10  8  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17  5  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  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 15  1  0  0  0  0
 24  1  1  0  0  0  0
 24 10  1  0  0  0  0
 25  6  1  0  0  0  0
 25 16  1  0  0  0  0
 26 11  1  0  0  0  0
 26 16  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0040600

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(O)C=CC(=C1)C(O)C(O)COC1OC(CO)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C16H24O10/c1-24-10-4-7(2-3-8(10)18)12(20)9(19)6-25-16-15(23)14(22)13(21)11(5-17)26-16/h2-4,9,11-23H,5-6H2,1H3

> <INCHI_KEY>
JUYHDXTVLYGGTJ-UHFFFAOYSA-N

> <FORMULA>
C16H24O10

> <MOLECULAR_WEIGHT>
376.3558

> <EXACT_MASS>
376.136946988

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
36.99396207626333

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[2,3-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-1.71

> <JCHEM_LOGP>
-2.2868460683333325

> <ALOGPS_LOGS>
-1.39

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.163181747816973

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.906421949184221

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083422323702

> <JCHEM_POLAR_SURFACE_AREA>
169.29999999999998

> <JCHEM_REFRACTIVITY>
85.6563

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.55e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[2,3-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0040600
     RDKit          3D
(1x,2x)-Guaiacylglycerol 3-glucoside
 50 51  0  0  0  0  0  0  0  0999 V2000
    5.3144    2.5766    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8859    1.3131    0.2595 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1051    0.1873    0.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7814    0.2965   -0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0458   -0.8745   -0.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6173   -0.7570   -0.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9829    0.2528    0.0139 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8387   -2.0302   -0.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8326   -2.3360    0.8730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6191   -1.7040   -0.8349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9947   -0.6299   -0.0517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3021   -0.2307   -0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9736   -0.2906    0.9331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3328   -0.1087    0.7006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0419   -0.3591    2.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7421   -1.6700    2.3888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6435    1.2487    0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2544    1.9941    1.1646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4492    2.0056   -0.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0566    2.9429    0.6653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2937    1.1794   -0.7551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1903    1.1360   -2.1636 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6236   -2.1039   -0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9671   -2.1841    0.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7090   -1.0346    0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0488   -1.1260    0.7160 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4007    2.7339    0.6354 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0379    2.7299   -1.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0526    3.3517    0.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3134    1.2569   -0.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5334   -0.4829   -1.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0817    1.0977   -0.4751 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1995   -2.8739   -1.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5626   -1.8254    1.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2604   -2.5854   -0.7126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6185   -1.3844   -1.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7668   -0.8818   -1.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6953   -0.8762   -0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1338   -0.2661    1.9312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6631    0.3214    2.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4149   -1.6959    3.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4015    1.1909   -0.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2065    1.7609    1.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7530    2.6450   -1.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2484    2.5257    1.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3497    1.6820   -0.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3845    2.0608   -2.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128   -2.9981   -0.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -3.1718    0.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4807   -2.0084    0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  5 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25  3  1  0
 21 12  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  6 31  1  0
  7 32  1  0
  8 33  1  0
  9 34  1  0
 10 35  1  0
 10 36  1  0
 12 37  1  0
 14 38  1  0
 15 39  1  0
 15 40  1  0
 16 41  1  0
 17 42  1  0
 18 43  1  0
 19 44  1  0
 20 45  1  0
 21 46  1  0
 22 47  1  0
 23 48  1  0
 24 49  1  0
 26 50  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   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334   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       0.000   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       4.001   6.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.336   6.930   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.336   8.470   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.002   9.240   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.668   8.470   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668   6.930   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      12.003   6.930   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -4.001   3.850   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       2.667   4.620   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       1.334   8.470   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      10.669   9.240   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       8.002  10.780   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       5.335   9.240   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       5.335   6.160   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       8.002   6.160   0.000  0.00  0.00           O+0
CONECT    1   24                                                            
CONECT    2    3    7                                                       
CONECT    3    2    8                                                       
CONECT    4    7   10                                                       
CONECT    5   11   17                                                       
CONECT    6    9   25                                                       
CONECT    7    2    4   12                                                  
CONECT    8    3   10   18                                                  
CONECT    9    6   12   19                                                  
CONECT   10    4    8   24                                                  
CONECT   11    5   13   26                                                  
CONECT   12    7    9   20                                                  
CONECT   13   11   14   21                                                  
CONECT   14   13   15   22                                                  
CONECT   15   14   16   23                                                  
CONECT   16   15   25   26                                                  
CONECT   17    5                                                            
CONECT   18    8                                                            
CONECT   19    9                                                            
CONECT   20   12                                                            
CONECT   21   13                                                            
CONECT   22   14                                                            
CONECT   23   15                                                            
CONECT   24    1   10                                                       
CONECT   25    6   16                                                       
CONECT   26   11   16                                                       
MASTER        0    0    0    0    0    0    0    0   26    0   54    0
END

COMPND    HMDB0040600
HETATM    1  C1  UNL     1       5.314   2.577   0.031  1.00  0.00           C  
HETATM    2  O1  UNL     1       5.886   1.313   0.260  1.00  0.00           O  
HETATM    3  C2  UNL     1       5.105   0.187   0.130  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.781   0.297  -0.219  1.00  0.00           C  
HETATM    5  C4  UNL     1       3.046  -0.875  -0.334  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.617  -0.757  -0.709  1.00  0.00           C  
HETATM    7  O2  UNL     1       0.983   0.253   0.014  1.00  0.00           O  
HETATM    8  C6  UNL     1       0.839  -2.030  -0.483  1.00  0.00           C  
HETATM    9  O3  UNL     1       0.833  -2.336   0.873  1.00  0.00           O  
HETATM   10  C7  UNL     1      -0.619  -1.704  -0.835  1.00  0.00           C  
HETATM   11  O4  UNL     1      -0.995  -0.630  -0.052  1.00  0.00           O  
HETATM   12  C8  UNL     1      -2.302  -0.231  -0.273  1.00  0.00           C  
HETATM   13  O5  UNL     1      -2.974  -0.291   0.933  1.00  0.00           O  
HETATM   14  C9  UNL     1      -4.333  -0.109   0.701  1.00  0.00           C  
HETATM   15  C10 UNL     1      -5.042  -0.359   2.022  1.00  0.00           C  
HETATM   16  O6  UNL     1      -4.742  -1.670   2.389  1.00  0.00           O  
HETATM   17  C11 UNL     1      -4.644   1.249   0.134  1.00  0.00           C  
HETATM   18  O7  UNL     1      -5.254   1.994   1.165  1.00  0.00           O  
HETATM   19  C12 UNL     1      -3.449   2.006  -0.317  1.00  0.00           C  
HETATM   20  O8  UNL     1      -3.057   2.943   0.665  1.00  0.00           O  
HETATM   21  C13 UNL     1      -2.294   1.179  -0.755  1.00  0.00           C  
HETATM   22  O9  UNL     1      -2.190   1.136  -2.164  1.00  0.00           O  
HETATM   23  C14 UNL     1       3.624  -2.104  -0.106  1.00  0.00           C  
HETATM   24  C15 UNL     1       4.967  -2.184   0.246  1.00  0.00           C  
HETATM   25  C16 UNL     1       5.709  -1.035   0.364  1.00  0.00           C  
HETATM   26  O10 UNL     1       7.049  -1.126   0.716  1.00  0.00           O  
HETATM   27  H1  UNL     1       4.401   2.734   0.635  1.00  0.00           H  
HETATM   28  H2  UNL     1       5.038   2.730  -1.029  1.00  0.00           H  
HETATM   29  H3  UNL     1       6.053   3.352   0.366  1.00  0.00           H  
HETATM   30  H4  UNL     1       3.313   1.257  -0.401  1.00  0.00           H  
HETATM   31  H5  UNL     1       1.533  -0.483  -1.785  1.00  0.00           H  
HETATM   32  H6  UNL     1       1.082   1.098  -0.475  1.00  0.00           H  
HETATM   33  H7  UNL     1       1.200  -2.874  -1.112  1.00  0.00           H  
HETATM   34  H8  UNL     1       1.563  -1.825   1.303  1.00  0.00           H  
HETATM   35  H9  UNL     1      -1.260  -2.585  -0.713  1.00  0.00           H  
HETATM   36  H10 UNL     1      -0.618  -1.384  -1.891  1.00  0.00           H  
HETATM   37  H11 UNL     1      -2.767  -0.882  -1.051  1.00  0.00           H  
HETATM   38  H12 UNL     1      -4.695  -0.876  -0.014  1.00  0.00           H  
HETATM   39  H13 UNL     1      -6.134  -0.266   1.931  1.00  0.00           H  
HETATM   40  H14 UNL     1      -4.663   0.321   2.795  1.00  0.00           H  
HETATM   41  H15 UNL     1      -4.415  -1.696   3.312  1.00  0.00           H  
HETATM   42  H16 UNL     1      -5.401   1.191  -0.678  1.00  0.00           H  
HETATM   43  H17 UNL     1      -6.207   1.761   1.214  1.00  0.00           H  
HETATM   44  H18 UNL     1      -3.753   2.645  -1.198  1.00  0.00           H  
HETATM   45  H19 UNL     1      -3.248   2.526   1.531  1.00  0.00           H  
HETATM   46  H20 UNL     1      -1.350   1.682  -0.413  1.00  0.00           H  
HETATM   47  H21 UNL     1      -2.384   2.061  -2.489  1.00  0.00           H  
HETATM   48  H22 UNL     1       3.013  -2.998  -0.206  1.00  0.00           H  
HETATM   49  H23 UNL     1       5.362  -3.172   0.412  1.00  0.00           H  
HETATM   50  H24 UNL     1       7.481  -2.008   0.884  1.00  0.00           H  
CONECT    1    2   27   28   29
CONECT    2    3
CONECT    3    4    4   25
CONECT    4    5   30
CONECT    5    6   23   23
CONECT    6    7    8   31
CONECT    7   32
CONECT    8    9   10   33
CONECT    9   34
CONECT   10   11   35   36
CONECT   11   12
CONECT   12   13   21   37
CONECT   13   14
CONECT   14   15   17   38
CONECT   15   16   39   40
CONECT   16   41
CONECT   17   18   19   42
CONECT   18   43
CONECT   19   20   21   44
CONECT   20   45
CONECT   21   22   46
CONECT   22   47
CONECT   23   24   48
CONECT   24   25   25   49
CONECT   25   26
CONECT   26   50
END

HMDB0040600
     RDKit          3D
(1x,2x)-Guaiacylglycerol 3-glucoside
 50 51  0  0  0  0  0  0  0  0999 V2000
    5.3144    2.5766    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8859    1.3131    0.2595 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1051    0.1873    0.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7814    0.2965   -0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0458   -0.8745   -0.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6173   -0.7570   -0.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9829    0.2528    0.0139 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8387   -2.0302   -0.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8326   -2.3360    0.8730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6191   -1.7040   -0.8349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9947   -0.6299   -0.0517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3021   -0.2307   -0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9736   -0.2906    0.9331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3328   -0.1087    0.7006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0419   -0.3591    2.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7421   -1.6700    2.3888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6435    1.2487    0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2544    1.9941    1.1646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4492    2.0056   -0.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0566    2.9429    0.6653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2937    1.1794   -0.7551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1903    1.1360   -2.1636 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6236   -2.1039   -0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9671   -2.1841    0.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7090   -1.0346    0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0488   -1.1260    0.7160 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4007    2.7339    0.6354 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0379    2.7299   -1.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0526    3.3517    0.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3134    1.2569   -0.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5334   -0.4829   -1.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0817    1.0977   -0.4751 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1995   -2.8739   -1.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5626   -1.8254    1.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2604   -2.5854   -0.7126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6185   -1.3844   -1.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7668   -0.8818   -1.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6953   -0.8762   -0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1338   -0.2661    1.9312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6631    0.3214    2.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4149   -1.6959    3.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4015    1.1909   -0.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2065    1.7609    1.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7530    2.6450   -1.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2484    2.5257    1.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3497    1.6820   -0.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3845    2.0608   -2.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128   -2.9981   -0.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -3.1718    0.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4807   -2.0084    0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  5 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25  3  1  0
 21 12  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  6 31  1  0
  7 32  1  0
  8 33  1  0
  9 34  1  0
 10 35  1  0
 10 36  1  0
 12 37  1  0
 14 38  1  0
 15 39  1  0
 15 40  1  0
 16 41  1  0
 17 42  1  0
 18 43  1  0
 19 44  1  0
 20 45  1  0
 21 46  1  0
 22 47  1  0
 23 48  1  0
 24 49  1  0
 26 50  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₁₆H₂₄O₁₀

Average Molecular Weight

376.3558

Monoisotopic Molecular Weight

376.136946988

IUPAC Name

2-[2,3-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

2-[2,3-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

7094-73-7

SMILES

COC1=C(O)C=CC(=C1)C(O)C(O)COC1OC(CO)C(O)C(O)C1O

InChI Identifier

InChI=1S/C16H24O10/c1-24-10-4-7(2-3-8(10)18)12(20)9(19)6-25-16-15(23)14(22)13(21)11(5-17)26-16/h2-4,9,11-23H,5-6H2,1H3

InChI Key

JUYHDXTVLYGGTJ-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
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Methoxyphenol
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Monocyclic benzene moiety
Benzenoid
Monosaccharide
Oxane
Secondary alcohol
Organoheterocyclic compound
Ether
Acetal
Oxacycle
Polyol
Organic oxygen compound
Aromatic alcohol
Alcohol
Primary alcohol
Organooxygen compound
Hydrocarbon derivative
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0040600)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0040600)

Source

Endogenous

Endogenous (HMDB: HMDB0040600)

Animal

Animal (HMDB: HMDB0040600)

Exogenous

Food

Food (HMDB: HMDB0040600)

Exogenous (HMDB: HMDB0040600)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0040600)

Biochemical pathway

Metabolic pathway

Fatty Acid Metabolism (HMDB: HMDB0040600)

Lipid metabolism pathway (HMDB: HMDB0040600)

Biochemical process

Lipid transport (HMDB: HMDB0040600)

Role

Biological role

Energy source (HMDB: HMDB0040600)

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	15.5 g/L	ALOGPS
logP	-1.7	ALOGPS
logP	-2.3	ChemAxon
logS	-1.4	ALOGPS
pKa (Strongest Acidic)	9.91	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	169.3 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	85.66 m³·mol⁻¹	ChemAxon
Polarizability	36.99 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	185.812	31661259
DarkChem	[M-H]-	183.351	31661259
DeepCCS	[M+H]+	184.334	30932474
DeepCCS	[M-H]-	181.942	30932474
DeepCCS	[M-2H]-	216.268	30932474
DeepCCS	[M+Na]+	191.495	30932474
AllCCS	[M+H]+	188.7	32859911
AllCCS	[M+H-H2O]+	186.0	32859911
AllCCS	[M+NH4]+	191.2	32859911
AllCCS	[M+Na]+	192.0	32859911
AllCCS	[M-H]-	184.2	32859911
AllCCS	[M+Na-2H]-	184.5	32859911
AllCCS	[M+HCOO]-	185.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(1x,2x)-Guaiacylglycerol 3-glucoside	COC1=C(O)C=CC(=C1)C(O)C(O)COC1OC(CO)C(O)C(O)C1O	4495.4	Standard polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside	COC1=C(O)C=CC(=C1)C(O)C(O)COC1OC(CO)C(O)C(O)C1O	3471.6	Standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside	COC1=C(O)C=CC(=C1)C(O)C(O)COC1OC(CO)C(O)C(O)C1O	3255.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(1x,2x)-Guaiacylglycerol 3-glucoside,1TMS,isomer #1	COC1=CC(C(O)C(O)COC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C	3354.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,1TMS,isomer #2	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO)C(O)C(O)C2O)=CC=C1O	3324.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,1TMS,isomer #3	COC1=CC(C(O)C(COC2OC(CO)C(O)C(O)C2O)O[Si](C)(C)C)=CC=C1O	3342.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,1TMS,isomer #4	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O	3317.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,1TMS,isomer #5	COC1=CC(C(O)C(O)COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	3304.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,1TMS,isomer #6	COC1=CC(C(O)C(O)COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	3284.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,1TMS,isomer #7	COC1=CC(C(O)C(O)COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	3292.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TMS,isomer #1	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C	3259.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TMS,isomer #10	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	3190.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TMS,isomer #11	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	3199.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TMS,isomer #12	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)O[Si](C)(C)C)=CC=C1O	3235.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TMS,isomer #13	COC1=CC(C(O)C(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)O[Si](C)(C)C)=CC=C1O	3224.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TMS,isomer #14	COC1=CC(C(O)C(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)O[Si](C)(C)C)=CC=C1O	3215.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TMS,isomer #15	COC1=CC(C(O)C(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	3216.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TMS,isomer #16	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	3201.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TMS,isomer #17	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	3186.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TMS,isomer #18	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	3202.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TMS,isomer #19	COC1=CC(C(O)C(O)COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	3186.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TMS,isomer #2	COC1=CC(C(O)C(COC2OC(CO)C(O)C(O)C2O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3288.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TMS,isomer #20	COC1=CC(C(O)C(O)COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	3168.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TMS,isomer #21	COC1=CC(C(O)C(O)COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3198.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TMS,isomer #3	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C	3249.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TMS,isomer #4	COC1=CC(C(O)C(O)COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C	3251.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TMS,isomer #5	COC1=CC(C(O)C(O)COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	3222.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TMS,isomer #6	COC1=CC(C(O)C(O)COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3241.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TMS,isomer #7	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO)C(O)C(O)C2O)O[Si](C)(C)C)=CC=C1O	3262.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TMS,isomer #8	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O	3206.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TMS,isomer #9	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	3214.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #1	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO)C(O)C(O)C2O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3179.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #10	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C	3144.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #11	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	3112.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #12	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3141.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #13	COC1=CC(C(O)C(O)COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	3129.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #14	COC1=CC(C(O)C(O)COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3127.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #15	COC1=CC(C(O)C(O)COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3139.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #16	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)O[Si](C)(C)C)=CC=C1O	3103.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #17	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)O[Si](C)(C)C)=CC=C1O	3126.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #18	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)O[Si](C)(C)C)=CC=C1O	3104.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #19	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	3123.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #2	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C	3122.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #20	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	3104.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #21	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	3087.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #22	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	3104.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #23	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	3099.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #24	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	3112.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #25	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3112.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #26	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)O[Si](C)(C)C)=CC=C1O	3118.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #27	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)O[Si](C)(C)C)=CC=C1O	3108.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #28	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	3117.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #29	COC1=CC(C(O)C(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)O[Si](C)(C)C)=CC=C1O	3126.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #3	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C	3139.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #30	COC1=CC(C(O)C(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	3131.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #31	COC1=CC(C(O)C(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	3135.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #32	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	3111.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #33	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	3153.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #34	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3118.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #35	COC1=CC(C(O)C(O)COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3132.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #4	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	3119.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #5	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3130.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #6	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3145.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #7	COC1=CC(C(O)C(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3158.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #8	COC1=CC(C(O)C(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3135.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TMS,isomer #9	COC1=CC(C(O)C(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3150.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #1	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3029.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #10	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3051.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #11	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3082.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #12	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3048.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #13	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3080.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #14	COC1=CC(C(O)C(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3088.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #15	COC1=CC(C(O)C(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3105.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #16	COC1=CC(C(O)C(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3091.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #17	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	3090.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #18	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3143.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #19	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3095.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #2	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3066.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #20	COC1=CC(C(O)C(O)COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3105.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #21	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)O[Si](C)(C)C)=CC=C1O	3036.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #22	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)O[Si](C)(C)C)=CC=C1O	2987.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #23	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	3033.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #24	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)O[Si](C)(C)C)=CC=C1O	3029.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #25	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	3057.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #26	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	3033.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #27	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	3032.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #28	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	3097.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #29	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3034.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #3	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3024.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #30	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3046.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #31	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)O[Si](C)(C)C)=CC=C1O	3074.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #32	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	3145.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #33	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	3071.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #34	COC1=CC(C(O)C(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	3079.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #35	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3149.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #4	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3058.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #5	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C	3045.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #6	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	3008.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #7	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3043.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #8	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	3041.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TMS,isomer #9	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3059.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,5TMS,isomer #1	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2998.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,5TMS,isomer #10	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3020.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,5TMS,isomer #11	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3063.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,5TMS,isomer #12	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3109.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,5TMS,isomer #13	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3057.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,5TMS,isomer #14	COC1=CC(C(O)C(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3065.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,5TMS,isomer #15	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3143.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,5TMS,isomer #16	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)O[Si](C)(C)C)=CC=C1O	3000.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,5TMS,isomer #17	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	3061.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,5TMS,isomer #18	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	2994.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,5TMS,isomer #19	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	3004.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,5TMS,isomer #2	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2959.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,5TMS,isomer #20	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3080.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,5TMS,isomer #21	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	3122.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,5TMS,isomer #3	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2990.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,5TMS,isomer #4	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2997.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,5TMS,isomer #5	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3010.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,5TMS,isomer #6	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2990.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,5TMS,isomer #7	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	3007.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,5TMS,isomer #8	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3061.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,5TMS,isomer #9	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3004.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,6TMS,isomer #1	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3009.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,6TMS,isomer #2	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3051.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,6TMS,isomer #3	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2996.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,6TMS,isomer #4	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2993.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,6TMS,isomer #5	COC1=CC(C(O[Si](C)(C)C)C(O)COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3069.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,6TMS,isomer #6	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3102.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,6TMS,isomer #7	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	3061.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,7TMS,isomer #1	COC1=CC(C(O[Si](C)(C)C)C(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3068.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,1TBDMS,isomer #1	COC1=CC(C(O)C(O)COC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3607.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,1TBDMS,isomer #2	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO)C(O)C(O)C2O)=CC=C1O	3581.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,1TBDMS,isomer #3	COC1=CC(C(O)C(COC2OC(CO)C(O)C(O)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O	3619.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,1TBDMS,isomer #4	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O	3573.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,1TBDMS,isomer #5	COC1=CC(C(O)C(O)COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	3592.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,1TBDMS,isomer #6	COC1=CC(C(O)C(O)COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	3578.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,1TBDMS,isomer #7	COC1=CC(C(O)C(O)COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3573.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TBDMS,isomer #1	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3729.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TBDMS,isomer #10	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	3700.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TBDMS,isomer #11	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3699.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TBDMS,isomer #12	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O	3713.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TBDMS,isomer #13	COC1=CC(C(O)C(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O	3760.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TBDMS,isomer #14	COC1=CC(C(O)C(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O	3746.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TBDMS,isomer #15	COC1=CC(C(O)C(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O	3734.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TBDMS,isomer #16	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	3684.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TBDMS,isomer #17	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	3672.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TBDMS,isomer #18	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3671.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TBDMS,isomer #19	COC1=CC(C(O)C(O)COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	3691.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TBDMS,isomer #2	COC1=CC(C(O)C(COC2OC(CO)C(O)C(O)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3775.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TBDMS,isomer #20	COC1=CC(C(O)C(O)COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3688.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TBDMS,isomer #21	COC1=CC(C(O)C(O)COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3702.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TBDMS,isomer #3	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3705.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TBDMS,isomer #4	COC1=CC(C(O)C(O)COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3733.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TBDMS,isomer #5	COC1=CC(C(O)C(O)COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3708.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TBDMS,isomer #6	COC1=CC(C(O)C(O)COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3709.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TBDMS,isomer #7	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO)C(O)C(O)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O	3737.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TBDMS,isomer #8	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O	3688.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,2TBDMS,isomer #9	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	3725.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #1	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO)C(O)C(O)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3854.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #10	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3843.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #11	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3831.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #12	COC1=CC(C(O)C(O)COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3821.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #13	COC1=CC(C(O)C(O)COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3835.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #14	COC1=CC(C(O)C(O)COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3833.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #15	COC1=CC(C(O)C(O)COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3851.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #16	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O	3806.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #17	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O	3833.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #18	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O	3811.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #19	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O	3809.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #2	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3831.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #20	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	3826.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #21	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	3811.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #22	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3803.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #23	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	3819.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #24	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3820.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #25	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3839.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #26	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O	3832.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #27	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O	3834.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #28	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O	3814.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #29	COC1=CC(C(O)C(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O	3832.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #3	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3861.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #30	COC1=CC(C(O)C(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O	3837.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #31	COC1=CC(C(O)C(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O	3853.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #32	COC1=CC(C(O)C(O)COC2OC(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)C2O)=CC=C1O	3802.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #33	COC1=CC(C(O)C(O)COC2OC(CO[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)=CC=C1O	3821.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #34	COC1=CC(C(O)C(O)COC2OC(CO[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)=CC=C1O	3800.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #35	COC1=CC(C(O)C(O)COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3799.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #4	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3849.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #5	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3835.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #6	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3852.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #7	COC1=CC(C(O)C(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3886.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #8	COC1=CC(C(O)C(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3877.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,3TBDMS,isomer #9	COC1=CC(C(O)C(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3863.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #1	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3938.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #10	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3988.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #11	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	4002.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #12	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3998.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #13	COC1=CC(C(O)C(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3982.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #14	COC1=CC(C(O)C(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3997.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #15	COC1=CC(C(O)C(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3998.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #16	COC1=CC(C(O)C(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	4015.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #17	COC1=CC(C(O)C(O)COC2OC(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)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3987.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #18	COC1=CC(C(O)C(O)COC2OC(CO[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)=CC=C1O[Si](C)(C)C(C)(C)C	4012.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #19	COC1=CC(C(O)C(O)COC2OC(CO[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)=CC=C1O[Si](C)(C)C(C)(C)C	3992.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #2	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3957.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #20	COC1=CC(C(O)C(O)COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3981.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #21	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O	3951.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #22	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O	3945.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #23	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O	3934.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #24	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O	3940.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #25	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O	3938.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #26	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O	3955.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #27	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(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)C2O)=CC=C1O	3979.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #28	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO[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)=CC=C1O	4018.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #29	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO[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)=CC=C1O	3985.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #3	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3957.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #30	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3954.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #31	COC1=CC(C(O)C(COC2OC(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)C2O)O[Si](C)(C)C(C)(C)C)=CC=C1O	3987.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #32	COC1=CC(C(O)C(COC2OC(CO[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)O[Si](C)(C)C(C)(C)C)=CC=C1O	4022.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #33	COC1=CC(C(O)C(COC2OC(CO[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)O[Si](C)(C)C(C)(C)C)=CC=C1O	3986.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #34	COC1=CC(C(O)C(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O	3959.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #35	COC1=CC(C(O)C(O)COC2OC(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)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3988.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #4	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3942.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #5	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3978.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #6	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3982.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #7	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3956.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #8	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3978.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 3-glucoside,4TBDMS,isomer #9	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(O)COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3966.2	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - (1x,2x)-Guaiacylglycerol 3-glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a4i-5926000000-925ba27a2a2b29ea422e	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1x,2x)-Guaiacylglycerol 3-glucoside GC-MS (4 TMS) - 70eV, Positive	splash10-0f6t-3652129000-293c89a267600f87f3e1	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1x,2x)-Guaiacylglycerol 3-glucoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 3-glucoside 10V, Negative-QTOF	splash10-004i-2829000000-0a4f2a26968fa39b336c	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 3-glucoside 20V, Negative-QTOF	splash10-08or-2912000000-25a130f17a5eb457bb6a	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 3-glucoside 40V, Negative-QTOF	splash10-0m4o-9820000000-b5998a739cca145c9b2c	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 3-glucoside 10V, Negative-QTOF	splash10-004i-0219000000-eff130d890e2ad18e094	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 3-glucoside 20V, Negative-QTOF	splash10-0k9t-3901000000-e5e0637145679c42fc07	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 3-glucoside 40V, Negative-QTOF	splash10-05fu-5914000000-c8f22242df4d20222f33	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 3-glucoside 10V, Positive-QTOF	splash10-056r-0419000000-e889d06482389558bdbc	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 3-glucoside 20V, Positive-QTOF	splash10-00kb-1922000000-62bd1448752ad69f51bd	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 3-glucoside 40V, Positive-QTOF	splash10-03fv-4911000000-d759f4890359f10dd7ed	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 3-glucoside 10V, Positive-QTOF	splash10-002b-0914000000-30d32d4309f98973f311	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 3-glucoside 20V, Positive-QTOF	splash10-004s-2901000000-67bf3a6f23beeb9afd14	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 3-glucoside 40V, Positive-QTOF	splash10-00b9-9632000000-6fb4ef347b1df0c96e96	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	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

FDB020388

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

73118380

PDB ID

Not Available

ChEBI ID

175826

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 (1x,2x)-Guaiacylglycerol 3-glucoside (HMDB0040600)

MOL for HMDB0040600 ((1x,2x)-Guaiacylglycerol 3-glucoside)

3D MOL for HMDB0040600 ((1x,2x)-Guaiacylglycerol 3-glucoside)

3D SDF for HMDB0040600 ((1x,2x)-Guaiacylglycerol 3-glucoside)

3D-SDF for HMDB0040600 ((1x,2x)-Guaiacylglycerol 3-glucoside)

PDB for HMDB0040600 ((1x,2x)-Guaiacylglycerol 3-glucoside)

3D PDB for HMDB0040600 ((1x,2x)-Guaiacylglycerol 3-glucoside)

SMILES for HMDB0040600 ((1x,2x)-Guaiacylglycerol 3-glucoside)

INCHI for HMDB0040600 ((1x,2x)-Guaiacylglycerol 3-glucoside)

Structure for HMDB0040600 ((1x,2x)-Guaiacylglycerol 3-glucoside)

3D Structure for HMDB0040600 ((1x,2x)-Guaiacylglycerol 3-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra