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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 18:00:58 UTC

Update Date

2022-03-07 02:53:39 UTC

HMDB ID

HMDB0033301

Secondary Accession Numbers

HMDB33301

Metabolite Identification

Common Name

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

Description

(1x,2x)-Guaiacylglycerol 2-glucoside belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Based on a literature review very few articles have been published on (1x,2x)-Guaiacylglycerol 2-glucoside.

Structure

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


  Mrv0541 02241211402D          

 26 27  0  0  0  0            999 V2000
    1.4566    2.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4441    1.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7211    1.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7073    0.4110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4139   -0.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4001   -0.8373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1053   -1.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0916   -2.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3685   -2.4869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0295    2.4869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0143    1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7073    1.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7211    0.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4428    0.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1508    0.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726    0.0619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1508    1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1356    0.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8422   -0.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8271   -0.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5351   -1.2881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4139    1.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1357    1.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8437    1.7116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5640    1.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5640    0.3629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END

HMDB0033301
     RDKit          3D
(1x,2x)-Guaiacylglycerol 2-glucoside
 50 51  0  0  0  0  0  0  0  0999 V2000
    6.1083    1.4130    0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0885    0.1984   -0.1853 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8846   -0.3110   -0.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6783    0.3297   -0.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4843   -0.1749   -0.8692 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2014    0.5151   -0.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4098    0.5700   -1.7573 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4145   -0.1197    0.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2924   -0.0939    1.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6061    1.2536    1.9887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6952    0.6172    0.7663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8985   -0.0405    0.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6283    0.6084   -0.3029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7898   -0.0691   -0.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4240    0.6985   -1.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7245    2.0171   -1.4130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7328    0.0145    0.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7717   -0.9079    0.2856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1125   -0.3096    1.8334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2587   -1.6702    2.1501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6864    0.0832    1.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6416    1.4199    2.3819 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5186   -1.3517   -1.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7155   -2.0109   -1.8299 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9059   -1.4928   -1.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1231   -2.1412   -1.6040 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5198    2.1780   -0.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1387    1.7800    0.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6712    1.2300    1.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130    1.2491    0.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4051    1.5764   -0.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7880    1.2045   -2.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2429   -1.1793    0.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6464   -0.4171    2.5977 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1927   -0.7215    1.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4773    1.3659    2.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7732   -1.1202    0.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6135   -1.0942   -0.9988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4048    0.2060   -2.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8008    0.6826   -2.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0243    2.6484   -1.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2460    1.0184    0.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4517   -1.6217   -0.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6953    0.2460    2.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1916   -1.9623    1.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2521   -0.5573    2.7930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9332    1.9535    1.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6188   -1.7767   -1.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7709   -2.9378   -2.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1345   -2.9961   -2.1226 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
  9 10  1  0
  8 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
  9 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 02241211402D          

 26 27  0  0  0  0            999 V2000
    1.4566    2.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4441    1.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7211    1.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7073    0.4110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4139   -0.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4001   -0.8373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1053   -1.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0916   -2.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3685   -2.4869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0295    2.4869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0143    1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7073    1.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7211    0.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4428    0.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1508    0.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726    0.0619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1508    1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1356    0.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8422   -0.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8271   -0.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5351   -1.2881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4139    1.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1357    1.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8437    1.7116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5640    1.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5640    0.3629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0033301

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(O)C=CC(=C1)C(O)C(CO)OC1OC(CO)C(O)C(O)C1O

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

> <INCHI_KEY>
UKYKCLFPJXHNON-UHFFFAOYSA-N

> <FORMULA>
C16H24O10

> <MOLECULAR_WEIGHT>
376.3558

> <EXACT_MASS>
376.136946988

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
36.96481277939971

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-1.74

> <JCHEM_LOGP>
-2.2868460683333325

> <ALOGPS_LOGS>
-1.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.1882277294415

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.906561405406135

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083565317106

> <JCHEM_POLAR_SURFACE_AREA>
169.29999999999998

> <JCHEM_REFRACTIVITY>
85.6563

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.69e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0033301
     RDKit          3D
(1x,2x)-Guaiacylglycerol 2-glucoside
 50 51  0  0  0  0  0  0  0  0999 V2000
    6.1083    1.4130    0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0885    0.1984   -0.1853 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8846   -0.3110   -0.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6783    0.3297   -0.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4843   -0.1749   -0.8692 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2014    0.5151   -0.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4098    0.5700   -1.7573 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4145   -0.1197    0.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2924   -0.0939    1.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6061    1.2536    1.9887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6952    0.6172    0.7663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8985   -0.0405    0.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6283    0.6084   -0.3029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7898   -0.0691   -0.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4240    0.6985   -1.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7245    2.0171   -1.4130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7328    0.0145    0.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7717   -0.9079    0.2856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1125   -0.3096    1.8334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2587   -1.6702    2.1501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6864    0.0832    1.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6416    1.4199    2.3819 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5186   -1.3517   -1.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7155   -2.0109   -1.8299 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9059   -1.4928   -1.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1231   -2.1412   -1.6040 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5198    2.1780   -0.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1387    1.7800    0.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6712    1.2300    1.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130    1.2491    0.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4051    1.5764   -0.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7880    1.2045   -2.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2429   -1.1793    0.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6464   -0.4171    2.5977 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1927   -0.7215    1.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4773    1.3659    2.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7732   -1.1202    0.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6135   -1.0942   -0.9988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4048    0.2060   -2.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8008    0.6826   -2.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0243    2.6484   -1.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2460    1.0184    0.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4517   -1.6217   -0.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6953    0.2460    2.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1916   -1.9623    1.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2521   -0.5573    2.7930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9332    1.9535    1.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6188   -1.7767   -1.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7709   -2.9378   -2.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1345   -2.9961   -2.1226 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
  9 10  1  0
  8 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
  9 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                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0       2.719   4.596   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.696   3.056   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.346   2.310   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       1.320   0.767   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       2.639  -0.026   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       2.614  -1.563   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       3.930  -2.356   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.904  -3.896   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.555  -4.642   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       0.055   4.642   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       0.027   3.103   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.320   2.353   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.346   0.816   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.693   0.069   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.015   0.865   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -5.362   0.116   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       4.015   2.263   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       3.986   0.724   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.305  -0.069   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.277  -1.609   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.599  -2.404   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -2.639   3.146   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -3.987   2.402   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -5.308   3.195   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -6.653   2.448   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       6.653   0.677   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   18                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   20                                                  
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10   11                                                            
CONECT   11    3   10   12                                                  
CONECT   12   11   13   22                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   23                                                  
CONECT   16   15                                                            
CONECT   17   18                                                            
CONECT   18    5   17   19                                                  
CONECT   19   18   20   26                                                  
CONECT   20    7   19   21                                                  
CONECT   21   20                                                            
CONECT   22   12   23                                                       
CONECT   23   15   22   24                                                  
CONECT   24   23   25                                                       
CONECT   25   24                                                            
CONECT   26   19                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   54    0
END

COMPND    HMDB0033301
HETATM    1  C1  UNL     1       6.108   1.413   0.556  1.00  0.00           C  
HETATM    2  O1  UNL     1       6.089   0.198  -0.185  1.00  0.00           O  
HETATM    3  C2  UNL     1       4.885  -0.311  -0.648  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.678   0.330  -0.411  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.484  -0.175  -0.869  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.201   0.515  -0.612  1.00  0.00           C  
HETATM    7  O2  UNL     1       0.410   0.570  -1.757  1.00  0.00           O  
HETATM    8  C6  UNL     1       0.414  -0.120   0.512  1.00  0.00           C  
HETATM    9  C7  UNL     1       1.292  -0.094   1.757  1.00  0.00           C  
HETATM   10  O3  UNL     1       1.606   1.254   1.989  1.00  0.00           O  
HETATM   11  O4  UNL     1      -0.695   0.617   0.766  1.00  0.00           O  
HETATM   12  C8  UNL     1      -1.899  -0.040   0.695  1.00  0.00           C  
HETATM   13  O5  UNL     1      -2.628   0.608  -0.303  1.00  0.00           O  
HETATM   14  C9  UNL     1      -3.790  -0.069  -0.637  1.00  0.00           C  
HETATM   15  C10 UNL     1      -4.424   0.698  -1.789  1.00  0.00           C  
HETATM   16  O6  UNL     1      -4.724   2.017  -1.413  1.00  0.00           O  
HETATM   17  C11 UNL     1      -4.733   0.015   0.523  1.00  0.00           C  
HETATM   18  O7  UNL     1      -5.772  -0.908   0.286  1.00  0.00           O  
HETATM   19  C12 UNL     1      -4.113  -0.310   1.833  1.00  0.00           C  
HETATM   20  O8  UNL     1      -4.259  -1.670   2.150  1.00  0.00           O  
HETATM   21  C13 UNL     1      -2.686   0.083   1.980  1.00  0.00           C  
HETATM   22  O9  UNL     1      -2.642   1.420   2.382  1.00  0.00           O  
HETATM   23  C14 UNL     1       2.519  -1.352  -1.581  1.00  0.00           C  
HETATM   24  C15 UNL     1       3.716  -2.011  -1.830  1.00  0.00           C  
HETATM   25  C16 UNL     1       4.906  -1.493  -1.364  1.00  0.00           C  
HETATM   26  O10 UNL     1       6.123  -2.141  -1.604  1.00  0.00           O  
HETATM   27  H1  UNL     1       5.520   2.178  -0.026  1.00  0.00           H  
HETATM   28  H2  UNL     1       7.139   1.780   0.696  1.00  0.00           H  
HETATM   29  H3  UNL     1       5.671   1.230   1.557  1.00  0.00           H  
HETATM   30  H4  UNL     1       3.713   1.249   0.153  1.00  0.00           H  
HETATM   31  H5  UNL     1       1.405   1.576  -0.329  1.00  0.00           H  
HETATM   32  H6  UNL     1       0.788   1.204  -2.399  1.00  0.00           H  
HETATM   33  H7  UNL     1       0.243  -1.179   0.272  1.00  0.00           H  
HETATM   34  H8  UNL     1       0.646  -0.417   2.598  1.00  0.00           H  
HETATM   35  H9  UNL     1       2.193  -0.721   1.633  1.00  0.00           H  
HETATM   36  H10 UNL     1       2.477   1.366   2.429  1.00  0.00           H  
HETATM   37  H11 UNL     1      -1.773  -1.120   0.429  1.00  0.00           H  
HETATM   38  H12 UNL     1      -3.614  -1.094  -0.999  1.00  0.00           H  
HETATM   39  H13 UNL     1      -5.405   0.206  -2.011  1.00  0.00           H  
HETATM   40  H14 UNL     1      -3.801   0.683  -2.695  1.00  0.00           H  
HETATM   41  H15 UNL     1      -4.024   2.648  -1.723  1.00  0.00           H  
HETATM   42  H16 UNL     1      -5.246   1.018   0.527  1.00  0.00           H  
HETATM   43  H17 UNL     1      -5.452  -1.622  -0.347  1.00  0.00           H  
HETATM   44  H18 UNL     1      -4.695   0.246   2.625  1.00  0.00           H  
HETATM   45  H19 UNL     1      -5.192  -1.962   1.972  1.00  0.00           H  
HETATM   46  H20 UNL     1      -2.252  -0.557   2.793  1.00  0.00           H  
HETATM   47  H21 UNL     1      -2.933   1.954   1.577  1.00  0.00           H  
HETATM   48  H22 UNL     1       1.619  -1.777  -1.953  1.00  0.00           H  
HETATM   49  H23 UNL     1       3.771  -2.938  -2.387  1.00  0.00           H  
HETATM   50  H24 UNL     1       6.134  -2.996  -2.123  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   11   33
CONECT    9   10   34   35
CONECT   10   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

HMDB0033301
     RDKit          3D
(1x,2x)-Guaiacylglycerol 2-glucoside
 50 51  0  0  0  0  0  0  0  0999 V2000
    6.1083    1.4130    0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0885    0.1984   -0.1853 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8846   -0.3110   -0.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6783    0.3297   -0.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4843   -0.1749   -0.8692 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2014    0.5151   -0.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4098    0.5700   -1.7573 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4145   -0.1197    0.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2924   -0.0939    1.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6061    1.2536    1.9887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6952    0.6172    0.7663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8985   -0.0405    0.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6283    0.6084   -0.3029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7898   -0.0691   -0.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4240    0.6985   -1.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7245    2.0171   -1.4130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7328    0.0145    0.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7717   -0.9079    0.2856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1125   -0.3096    1.8334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2587   -1.6702    2.1501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6864    0.0832    1.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6416    1.4199    2.3819 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5186   -1.3517   -1.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7155   -2.0109   -1.8299 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9059   -1.4928   -1.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1231   -2.1412   -1.6040 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5198    2.1780   -0.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1387    1.7800    0.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6712    1.2300    1.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130    1.2491    0.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4051    1.5764   -0.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7880    1.2045   -2.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2429   -1.1793    0.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6464   -0.4171    2.5977 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1927   -0.7215    1.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4773    1.3659    2.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7732   -1.1202    0.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6135   -1.0942   -0.9988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4048    0.2060   -2.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8008    0.6826   -2.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0243    2.6484   -1.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2460    1.0184    0.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4517   -1.6217   -0.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6953    0.2460    2.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1916   -1.9623    1.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2521   -0.5573    2.7930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9332    1.9535    1.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6188   -1.7767   -1.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7709   -2.9378   -2.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1345   -2.9961   -2.1226 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
  9 10  1  0
  8 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
  9 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-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

2-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

Not Available

SMILES

COC1=C(O)C=CC(=C1)C(O)C(CO)OC1OC(CO)C(O)C(O)C1O

InChI Identifier

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

InChI Key

UKYKCLFPJXHNON-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

Hexose monosaccharide
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
Aromatic alcohol
Hydrocarbon derivative
Alcohol
Primary alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cytoplasm (FooDB: )
Extracellular (FooDB: )

Source

Exogenous

Food

Food (FooDB: )

Not Available

Nutrient (FooDB: )

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	16.9 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	36.96 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]+	187.512	31661259
DarkChem	[M-H]-	182.595	31661259
DeepCCS	[M+H]+	187.35	30932474
DeepCCS	[M-H]-	184.913	30932474
DeepCCS	[M-2H]-	219.284	30932474
DeepCCS	[M+Na]+	194.511	30932474
AllCCS	[M+H]+	188.3	32859911
AllCCS	[M+H-H2O]+	185.6	32859911
AllCCS	[M+NH4]+	190.9	32859911
AllCCS	[M+Na]+	191.6	32859911
AllCCS	[M-H]-	183.9	32859911
AllCCS	[M+Na-2H]-	184.2	32859911
AllCCS	[M+HCOO]-	184.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(1x,2x)-Guaiacylglycerol 2-glucoside	COC1=C(O)C=CC(=C1)C(O)C(CO)OC1OC(CO)C(O)C(O)C1O	4327.1	Standard polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside	COC1=C(O)C=CC(=C1)C(O)C(CO)OC1OC(CO)C(O)C(O)C1O	3470.2	Standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside	COC1=C(O)C=CC(=C1)C(O)C(CO)OC1OC(CO)C(O)C(O)C1O	3228.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(1x,2x)-Guaiacylglycerol 2-glucoside,1TMS,isomer #1	COC1=CC(C(O)C(CO)OC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C	3336.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,1TMS,isomer #2	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO)C(O)C(O)C2O)=CC=C1O	3310.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,1TMS,isomer #3	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO)C(O)C(O)C2O)=CC=C1O	3321.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,1TMS,isomer #4	COC1=CC(C(O)C(CO)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O	3295.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,1TMS,isomer #5	COC1=CC(C(O)C(CO)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	3293.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,1TMS,isomer #6	COC1=CC(C(O)C(CO)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	3271.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,1TMS,isomer #7	COC1=CC(C(O)C(CO)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	3285.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TMS,isomer #1	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C	3257.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TMS,isomer #10	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	3182.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TMS,isomer #11	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	3205.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TMS,isomer #12	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O	3220.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TMS,isomer #13	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	3208.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TMS,isomer #14	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	3193.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TMS,isomer #15	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	3210.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TMS,isomer #16	COC1=CC(C(O)C(CO)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	3185.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TMS,isomer #17	COC1=CC(C(O)C(CO)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	3172.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TMS,isomer #18	COC1=CC(C(O)C(CO)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	3188.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TMS,isomer #19	COC1=CC(C(O)C(CO)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	3185.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TMS,isomer #2	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C	3267.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TMS,isomer #20	COC1=CC(C(O)C(CO)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	3165.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TMS,isomer #21	COC1=CC(C(O)C(CO)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3196.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TMS,isomer #3	COC1=CC(C(O)C(CO)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C	3217.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TMS,isomer #4	COC1=CC(C(O)C(CO)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C	3222.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TMS,isomer #5	COC1=CC(C(O)C(CO)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	3197.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TMS,isomer #6	COC1=CC(C(O)C(CO)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3218.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TMS,isomer #7	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO)C(O)C(O)C2O)=CC=C1O	3247.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TMS,isomer #8	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O	3204.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TMS,isomer #9	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	3205.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #1	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C	3135.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #10	COC1=CC(C(O)C(CO)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C	3113.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #11	COC1=CC(C(O)C(CO)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	3079.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #12	COC1=CC(C(O)C(CO)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3115.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #13	COC1=CC(C(O)C(CO)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	3111.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #14	COC1=CC(C(O)C(CO)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3118.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #15	COC1=CC(C(O)C(CO)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3120.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #16	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O	3059.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #17	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	3086.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #18	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	3059.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #19	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	3086.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #2	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C	3105.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #20	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	3079.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #21	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	3055.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #22	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	3083.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #23	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	3087.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #24	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	3096.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #25	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3094.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #26	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	3082.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #27	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	3062.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #28	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	3086.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #29	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	3091.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #3	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C	3127.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #30	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	3106.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #31	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3097.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #32	COC1=CC(C(O)C(CO)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	3087.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #33	COC1=CC(C(O)C(CO)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	3107.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #34	COC1=CC(C(O)C(CO)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3084.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #35	COC1=CC(C(O)C(CO)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3119.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #4	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	3089.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #5	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3126.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #6	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C	3112.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #7	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C	3126.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #8	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	3100.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TMS,isomer #9	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3129.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #1	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C	2973.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #10	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3011.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #11	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C	3022.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #12	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	2982.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #13	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3021.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #14	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	3025.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #15	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3056.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #16	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3021.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #17	COC1=CC(C(O)C(CO)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	3026.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #18	COC1=CC(C(O)C(CO)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3054.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #19	COC1=CC(C(O)C(CO)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3014.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #2	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C	3007.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #20	COC1=CC(C(O)C(CO)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3057.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #21	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	2964.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #22	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	2926.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #23	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	2961.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #24	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	2968.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #25	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	2999.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #26	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	2960.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #27	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	2982.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #28	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	3004.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #29	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	2970.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #3	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	2963.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #30	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3009.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #31	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	2987.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #32	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	3023.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #33	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	2975.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #34	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3008.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #35	COC1=CC(C(O)C(CO)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3027.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #4	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3000.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #5	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C	3011.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #6	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	2966.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #7	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3006.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #8	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	3017.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TMS,isomer #9	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3043.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,5TMS,isomer #1	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C	2932.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,5TMS,isomer #10	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2957.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,5TMS,isomer #11	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	2975.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,5TMS,isomer #12	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2985.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,5TMS,isomer #13	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2960.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,5TMS,isomer #14	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2987.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,5TMS,isomer #15	COC1=CC(C(O)C(CO)OC2OC(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	3000.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,5TMS,isomer #16	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	2903.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,5TMS,isomer #17	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	2911.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,5TMS,isomer #18	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	2889.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,5TMS,isomer #19	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	2914.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,5TMS,isomer #2	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	2900.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,5TMS,isomer #20	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	2933.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,5TMS,isomer #21	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	2960.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,5TMS,isomer #3	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2915.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,5TMS,isomer #4	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	2930.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,5TMS,isomer #5	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2946.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,5TMS,isomer #6	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2912.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,5TMS,isomer #7	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	2940.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,5TMS,isomer #8	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2950.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,5TMS,isomer #9	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2924.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,6TMS,isomer #1	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	2921.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,6TMS,isomer #2	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2916.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,6TMS,isomer #3	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2908.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,6TMS,isomer #4	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2909.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,6TMS,isomer #5	COC1=CC(C(O[Si](C)(C)C)C(CO)OC2OC(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	2934.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,6TMS,isomer #6	COC1=CC(C(O)C(CO[Si](C)(C)C)OC2OC(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	2947.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,6TMS,isomer #7	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	2889.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,7TMS,isomer #1	COC1=CC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)OC2OC(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	2921.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,1TBDMS,isomer #1	COC1=CC(C(O)C(CO)OC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3579.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,1TBDMS,isomer #2	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(CO)C(O)C(O)C2O)=CC=C1O	3561.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,1TBDMS,isomer #3	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O)C(O)C2O)=CC=C1O	3574.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,1TBDMS,isomer #4	COC1=CC(C(O)C(CO)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O	3533.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,1TBDMS,isomer #5	COC1=CC(C(O)C(CO)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	3578.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,1TBDMS,isomer #6	COC1=CC(C(O)C(CO)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	3565.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,1TBDMS,isomer #7	COC1=CC(C(O)C(CO)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3558.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TBDMS,isomer #1	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3707.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TBDMS,isomer #10	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	3675.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TBDMS,isomer #11	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3665.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TBDMS,isomer #12	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O	3658.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TBDMS,isomer #13	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	3702.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TBDMS,isomer #14	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	3692.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TBDMS,isomer #15	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3678.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TBDMS,isomer #16	COC1=CC(C(O)C(CO)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	3659.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TBDMS,isomer #17	COC1=CC(C(O)C(CO)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	3663.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TBDMS,isomer #18	COC1=CC(C(O)C(CO)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3648.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TBDMS,isomer #19	COC1=CC(C(O)C(CO)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	3686.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TBDMS,isomer #2	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3728.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TBDMS,isomer #20	COC1=CC(C(O)C(CO)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3674.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TBDMS,isomer #21	COC1=CC(C(O)C(CO)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3692.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TBDMS,isomer #3	COC1=CC(C(O)C(CO)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3672.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TBDMS,isomer #4	COC1=CC(C(O)C(CO)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3717.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TBDMS,isomer #5	COC1=CC(C(O)C(CO)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3698.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TBDMS,isomer #6	COC1=CC(C(O)C(CO)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3695.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TBDMS,isomer #7	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O)C(O)C2O)=CC=C1O	3706.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TBDMS,isomer #8	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O	3652.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,2TBDMS,isomer #9	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	3695.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #1	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3842.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #10	COC1=CC(C(O)C(CO)OC2OC(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	3816.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #11	COC1=CC(C(O)C(CO)OC2OC(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	3813.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #12	COC1=CC(C(O)C(CO)OC2OC(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	3797.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #13	COC1=CC(C(O)C(CO)OC2OC(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	3823.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #14	COC1=CC(C(O)C(CO)OC2OC(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	3812.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #15	COC1=CC(C(O)C(CO)OC2OC(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	3832.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #16	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O	3785.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #17	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	3812.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #18	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	3800.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #19	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3795.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #2	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3792.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #20	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	3783.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #21	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	3781.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #22	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3760.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #23	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	3784.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #24	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3779.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #25	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3793.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #26	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	3786.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #27	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	3796.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #28	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3764.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #29	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	3787.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #3	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3820.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #30	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3786.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #31	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3798.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #32	COC1=CC(C(O)C(CO)OC2OC(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	3785.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #33	COC1=CC(C(O)C(CO)OC2OC(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	3784.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #34	COC1=CC(C(O)C(CO)OC2OC(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	3781.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #35	COC1=CC(C(O)C(CO)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3771.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #4	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3813.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #5	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3797.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #6	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3810.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #7	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3844.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #8	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3842.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,3TBDMS,isomer #9	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3821.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #1	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3900.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #10	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(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	3918.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #11	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(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	3940.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #12	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(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	3950.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #13	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(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	3924.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #14	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3943.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #15	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(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	3948.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #16	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3950.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #17	COC1=CC(C(O)C(CO)OC2OC(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	3956.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #18	COC1=CC(C(O)C(CO)OC2OC(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	3953.6	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #19	COC1=CC(C(O)C(CO)OC2OC(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	3950.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #2	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3925.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #20	COC1=CC(C(O)C(CO)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3942.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #21	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	3907.1	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #22	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	3929.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #23	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3888.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #24	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	3919.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #25	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3918.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #26	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3921.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #27	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(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	3923.4	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #28	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(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	3923.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #29	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(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	3917.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #3	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	3929.7	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #30	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3883.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #31	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(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	3926.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #32	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(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	3929.0	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #33	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(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	3917.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #34	COC1=CC(C(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3894.8	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #35	COC1=CC(C(O)C(CO)OC2OC(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	3912.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #4	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3908.9	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #5	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(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	3908.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #6	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(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	3920.5	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #7	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(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	3888.2	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #8	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(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	3915.3	Semi standard non polar	33892256
(1x,2x)-Guaiacylglycerol 2-glucoside,4TBDMS,isomer #9	COC1=CC(C(O[Si](C)(C)C(C)(C)C)C(CO)OC2OC(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	3909.7	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 2-glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a4j-4915000000-6dede5daff71155c8b5f	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1x,2x)-Guaiacylglycerol 2-glucoside GC-MS (4 TMS) - 70eV, Positive	splash10-0f6t-3670129000-e585f320bfc0a2737253	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1x,2x)-Guaiacylglycerol 2-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 2-glucoside 10V, Positive-QTOF	splash10-0691-0956000000-1fd40a29244437e9103b	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 2-glucoside 20V, Positive-QTOF	splash10-00kb-1930000000-6e456e04a8ea8c140cda	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 2-glucoside 40V, Positive-QTOF	splash10-01ot-6910000000-bed0fd29d20e6abbc177	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 2-glucoside 10V, Negative-QTOF	splash10-01ta-1936000000-cb00163bc3732f4703a2	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 2-glucoside 20V, Negative-QTOF	splash10-03dj-1911000000-ef5738e47f7a51db035e	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 2-glucoside 40V, Negative-QTOF	splash10-0nmm-6910000000-7fb394e2e647c9884eb8	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 2-glucoside 10V, Positive-QTOF	splash10-002b-0900000000-aea3978e55db53a44b9c	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 2-glucoside 20V, Positive-QTOF	splash10-002b-1900000000-17aa01b8d49e60451fa7	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 2-glucoside 40V, Positive-QTOF	splash10-004i-3900000000-99b55fa084ad2ba1429b	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 2-glucoside 10V, Negative-QTOF	splash10-004i-0519000000-65e025744c5b3fdf524a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 2-glucoside 20V, Negative-QTOF	splash10-0a4j-4902000000-096d52e15c30f8ef2f16	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1x,2x)-Guaiacylglycerol 2-glucoside 40V, Negative-QTOF	splash10-0ab9-4901000000-547e76a507f2471efb47	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	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

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

FDB020387

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

74336862

PDB ID

Not Available

ChEBI ID

175824

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for (1x,2x)-Guaiacylglycerol 2-glucoside (HMDB0033301)

MOL for HMDB0033301 ((1x,2x)-Guaiacylglycerol 2-glucoside)

3D MOL for HMDB0033301 ((1x,2x)-Guaiacylglycerol 2-glucoside)

3D SDF for HMDB0033301 ((1x,2x)-Guaiacylglycerol 2-glucoside)

3D-SDF for HMDB0033301 ((1x,2x)-Guaiacylglycerol 2-glucoside)

PDB for HMDB0033301 ((1x,2x)-Guaiacylglycerol 2-glucoside)

3D PDB for HMDB0033301 ((1x,2x)-Guaiacylglycerol 2-glucoside)

SMILES for HMDB0033301 ((1x,2x)-Guaiacylglycerol 2-glucoside)

INCHI for HMDB0033301 ((1x,2x)-Guaiacylglycerol 2-glucoside)

Structure for HMDB0033301 ((1x,2x)-Guaiacylglycerol 2-glucoside)

3D Structure for HMDB0033301 ((1x,2x)-Guaiacylglycerol 2-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra