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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 18:00:55 UTC

Update Date

2022-03-07 02:53:39 UTC

HMDB ID

HMDB0033300

Secondary Accession Numbers

HMDB33300

Metabolite Identification

Common Name

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

Description

(1RS,2RS)-Guaiacylglycerol 1-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 (1RS,2RS)-Guaiacylglycerol 1-glucoside.

Structure

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


  Mrv0541 02241209122D          

 26 27  0  0  0  0            999 V2000
   -2.2678    2.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4432    2.1420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0309    1.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062    1.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2061    0.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0309   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4432    0.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2678    0.7140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4432   -2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0309   -1.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062   -1.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2061   -0.7141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308   -0.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431   -1.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2678   -1.4287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431   -2.8567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2061   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062   -2.8567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431   -0.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308    0.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431    1.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2678    1.4286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308    2.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431    2.8567    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  8  2  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  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 19  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  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
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END

HMDB0033300
     RDKit          3D
(1RS,2RS)-Guaiacylglycerol 1-glucoside
 50 51  0  0  0  0  0  0  0  0999 V2000
    1.8029    3.5422   -1.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9411    2.7756   -1.8383 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1021    1.4835   -1.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0993    0.9495   -0.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1842   -0.3173   -0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0913   -0.9034    0.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1450   -0.7651    0.1653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0761   -0.0507    0.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4072    1.1378    0.2215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034    0.9255   -0.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5079    2.2864   -1.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1865    3.0098   -0.4873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5414    0.3115   -0.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5783   -0.9576   -1.0842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4977    0.0888    1.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6851   -0.4251    1.4757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3163   -0.8273    1.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2517   -1.2140    2.5972 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3910   -2.3565    1.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4393   -3.1111   -0.1633 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3166   -3.0421    1.8655 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8398   -4.3474    2.0580 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3052   -1.0633   -0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3327   -0.5134   -1.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2328    0.7493   -1.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2415    1.3242   -2.3809 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9256    4.5482   -2.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9088    3.0491   -2.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5488    3.6524   -0.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1879    1.5359   -0.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1258   -0.4060    1.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6043    0.2853    1.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6903    0.3373   -1.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1645    2.2496   -2.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5594    2.8651   -1.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9183    3.9635   -0.4826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3962    0.9360   -0.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4957   -1.2689   -1.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2487    1.0855    1.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5260   -0.7398    2.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4030   -1.7085    0.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0565   -0.3959    3.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3432   -2.4984    1.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9715   -3.9188   -0.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6275   -3.1269    1.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1687   -2.5406    2.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7675   -4.2537    2.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4963   -2.0672    0.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2317   -1.0858   -1.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0912    0.8126   -2.5923 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
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  6 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
 17  8  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  6 31  1  0
  8 32  1  0
 10 33  1  0
 11 34  1  0
 11 35  1  0
 12 36  1  0
 13 37  1  0
 14 38  1  0
 15 39  1  0
 16 40  1  0
 17 41  1  0
 18 42  1  0
 19 43  1  0
 20 44  1  0
 21 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 02241209122D          

 26 27  0  0  0  0            999 V2000
   -2.2678    2.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4432    2.1420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0309    1.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062    1.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2061    0.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0309   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4432    0.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2678    0.7140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4432   -2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0309   -1.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062   -1.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2061   -0.7141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308   -0.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431   -1.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2678   -1.4287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431   -2.8567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2061   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062   -2.8567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431   -0.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308    0.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431    1.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2678    1.4286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308    2.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431    2.8567    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  8  2  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  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 19  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  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
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0033300

> <DATABASE_NAME>
hmdb

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

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

> <INCHI_KEY>
XIMYPIWCALSSQZ-UHFFFAOYSA-N

> <FORMULA>
C16H24O10

> <MOLECULAR_WEIGHT>
376.3558

> <EXACT_MASS>
376.136946988

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
36.48830967992529

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[2,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-1.75

> <JCHEM_LOGP>
-2.2868460683333325

> <ALOGPS_LOGS>
-1.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.180810378993005

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.906212625902914

> <JCHEM_PKA_STRONGEST_BASIC>
-2.977596966895142

> <JCHEM_POLAR_SURFACE_AREA>
169.29999999999998

> <JCHEM_REFRACTIVITY>
85.65629999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.75e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[2,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0033300
     RDKit          3D
(1RS,2RS)-Guaiacylglycerol 1-glucoside
 50 51  0  0  0  0  0  0  0  0999 V2000
    1.8029    3.5422   -1.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9411    2.7756   -1.8383 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1021    1.4835   -1.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0993    0.9495   -0.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1842   -0.3173   -0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0913   -0.9034    0.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1450   -0.7651    0.1653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0761   -0.0507    0.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4072    1.1378    0.2215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034    0.9255   -0.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5079    2.2864   -1.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1865    3.0098   -0.4873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5414    0.3115   -0.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5783   -0.9576   -1.0842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4977    0.0888    1.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6851   -0.4251    1.4757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3163   -0.8273    1.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2517   -1.2140    2.5972 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3910   -2.3565    1.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4393   -3.1111   -0.1633 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3166   -3.0421    1.8655 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8398   -4.3474    2.0580 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3052   -1.0633   -0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3327   -0.5134   -1.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2328    0.7493   -1.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2415    1.3242   -2.3809 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9256    4.5482   -2.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9088    3.0491   -2.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5488    3.6524   -0.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1879    1.5359   -0.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1258   -0.4060    1.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6043    0.2853    1.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6903    0.3373   -1.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1645    2.2496   -2.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5594    2.8651   -1.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9183    3.9635   -0.4826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3962    0.9360   -0.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4957   -1.2689   -1.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2487    1.0855    1.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5260   -0.7398    2.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4030   -1.7085    0.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0565   -0.3959    3.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3432   -2.4984    1.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9715   -3.9188   -0.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6275   -3.1269    1.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1687   -2.5406    2.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7675   -4.2537    2.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4963   -2.0672    0.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2317   -1.0858   -1.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0912    0.8126   -2.5923 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
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  6 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
 17  8  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  6 31  1  0
  8 32  1  0
 10 33  1  0
 11 34  1  0
 11 35  1  0
 12 36  1  0
 13 37  1  0
 14 38  1  0
 15 39  1  0
 16 40  1  0
 17 41  1  0
 18 42  1  0
 19 43  1  0
 20 44  1  0
 21 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  C   UNK     0      -4.233   3.998   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -2.694   3.998   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.924   2.667   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.385   2.667   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.385   1.333   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.385  -0.001   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.924  -0.001   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.694   1.333   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -4.233   1.333   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -2.694  -4.001   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -1.924  -2.667   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.385  -2.667   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       0.385  -1.333   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       1.924  -1.333   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.694  -2.667   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       4.233  -2.667   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       2.694  -5.333   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       1.924  -4.001   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.385  -4.001   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -0.385  -5.333   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       2.694  -0.001   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       1.924   1.333   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.694   2.667   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       4.233   2.667   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       1.924   3.998   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       2.694   5.333   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   22                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    3    7    9                                                  
CONECT    9    8                                                            
CONECT   10   11                                                            
CONECT   11   10   12                                                       
CONECT   12   11   13   19                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   21                                                  
CONECT   15   14   16   18                                                  
CONECT   16   15                                                            
CONECT   17   18                                                            
CONECT   18   15   17   19                                                  
CONECT   19   12   18   20                                                  
CONECT   20   19                                                            
CONECT   21   14   22                                                       
CONECT   22    5   21   23                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   54    0
END

COMPND    HMDB0033300
HETATM    1  C1  UNL     1       1.803   3.542  -1.592  1.00  0.00           C  
HETATM    2  O1  UNL     1       2.941   2.776  -1.838  1.00  0.00           O  
HETATM    3  C2  UNL     1       3.102   1.484  -1.342  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.099   0.949  -0.581  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.184  -0.317  -0.056  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.091  -0.903   0.764  1.00  0.00           C  
HETATM    7  O2  UNL     1      -0.145  -0.765   0.165  1.00  0.00           O  
HETATM    8  C6  UNL     1      -1.076  -0.051   0.873  1.00  0.00           C  
HETATM    9  O3  UNL     1      -1.407   1.138   0.222  1.00  0.00           O  
HETATM   10  C7  UNL     1      -2.203   0.926  -0.902  1.00  0.00           C  
HETATM   11  C8  UNL     1      -2.508   2.286  -1.493  1.00  0.00           C  
HETATM   12  O4  UNL     1      -3.187   3.010  -0.487  1.00  0.00           O  
HETATM   13  C9  UNL     1      -3.541   0.311  -0.509  1.00  0.00           C  
HETATM   14  O5  UNL     1      -3.578  -0.958  -1.084  1.00  0.00           O  
HETATM   15  C10 UNL     1      -3.498   0.089   1.006  1.00  0.00           C  
HETATM   16  O6  UNL     1      -4.685  -0.425   1.476  1.00  0.00           O  
HETATM   17  C11 UNL     1      -2.316  -0.827   1.255  1.00  0.00           C  
HETATM   18  O7  UNL     1      -2.252  -1.214   2.597  1.00  0.00           O  
HETATM   19  C12 UNL     1       1.391  -2.357   1.001  1.00  0.00           C  
HETATM   20  O8  UNL     1       1.439  -3.111  -0.163  1.00  0.00           O  
HETATM   21  C13 UNL     1       0.317  -3.042   1.866  1.00  0.00           C  
HETATM   22  O9  UNL     1       0.840  -4.347   2.058  1.00  0.00           O  
HETATM   23  C14 UNL     1       3.305  -1.063  -0.303  1.00  0.00           C  
HETATM   24  C15 UNL     1       4.333  -0.513  -1.084  1.00  0.00           C  
HETATM   25  C16 UNL     1       4.233   0.749  -1.599  1.00  0.00           C  
HETATM   26  O10 UNL     1       5.242   1.324  -2.381  1.00  0.00           O  
HETATM   27  H1  UNL     1       1.926   4.548  -2.017  1.00  0.00           H  
HETATM   28  H2  UNL     1       0.909   3.049  -2.073  1.00  0.00           H  
HETATM   29  H3  UNL     1       1.549   3.652  -0.526  1.00  0.00           H  
HETATM   30  H4  UNL     1       1.188   1.536  -0.367  1.00  0.00           H  
HETATM   31  H5  UNL     1       1.126  -0.406   1.765  1.00  0.00           H  
HETATM   32  H6  UNL     1      -0.604   0.285   1.843  1.00  0.00           H  
HETATM   33  H7  UNL     1      -1.690   0.337  -1.690  1.00  0.00           H  
HETATM   34  H8  UNL     1      -3.165   2.250  -2.365  1.00  0.00           H  
HETATM   35  H9  UNL     1      -1.559   2.865  -1.682  1.00  0.00           H  
HETATM   36  H10 UNL     1      -2.918   3.963  -0.483  1.00  0.00           H  
HETATM   37  H11 UNL     1      -4.396   0.936  -0.803  1.00  0.00           H  
HETATM   38  H12 UNL     1      -4.496  -1.269  -1.276  1.00  0.00           H  
HETATM   39  H13 UNL     1      -3.249   1.086   1.440  1.00  0.00           H  
HETATM   40  H14 UNL     1      -4.526  -0.740   2.401  1.00  0.00           H  
HETATM   41  H15 UNL     1      -2.403  -1.708   0.584  1.00  0.00           H  
HETATM   42  H16 UNL     1      -2.057  -0.396   3.122  1.00  0.00           H  
HETATM   43  H17 UNL     1       2.343  -2.498   1.574  1.00  0.00           H  
HETATM   44  H18 UNL     1       1.972  -3.919  -0.056  1.00  0.00           H  
HETATM   45  H19 UNL     1      -0.628  -3.127   1.327  1.00  0.00           H  
HETATM   46  H20 UNL     1       0.169  -2.541   2.818  1.00  0.00           H  
HETATM   47  H21 UNL     1       1.768  -4.254   2.434  1.00  0.00           H  
HETATM   48  H22 UNL     1       3.496  -2.067   0.045  1.00  0.00           H  
HETATM   49  H23 UNL     1       5.232  -1.086  -1.293  1.00  0.00           H  
HETATM   50  H24 UNL     1       6.091   0.813  -2.592  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   19   31
CONECT    7    8
CONECT    8    9   17   32
CONECT    9   10
CONECT   10   11   13   33
CONECT   11   12   34   35
CONECT   12   36
CONECT   13   14   15   37
CONECT   14   38
CONECT   15   16   17   39
CONECT   16   40
CONECT   17   18   41
CONECT   18   42
CONECT   19   20   21   43
CONECT   20   44
CONECT   21   22   45   46
CONECT   22   47
CONECT   23   24   48
CONECT   24   25   25   49
CONECT   25   26
CONECT   26   50
END

HMDB0033300
     RDKit          3D
(1RS,2RS)-Guaiacylglycerol 1-glucoside
 50 51  0  0  0  0  0  0  0  0999 V2000
    1.8029    3.5422   -1.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9411    2.7756   -1.8383 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1021    1.4835   -1.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0993    0.9495   -0.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1842   -0.3173   -0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0913   -0.9034    0.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1450   -0.7651    0.1653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0761   -0.0507    0.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4072    1.1378    0.2215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034    0.9255   -0.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5079    2.2864   -1.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1865    3.0098   -0.4873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5414    0.3115   -0.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5783   -0.9576   -1.0842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4977    0.0888    1.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6851   -0.4251    1.4757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3163   -0.8273    1.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2517   -1.2140    2.5972 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3910   -2.3565    1.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4393   -3.1111   -0.1633 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3166   -3.0421    1.8655 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8398   -4.3474    2.0580 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3052   -1.0633   -0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3327   -0.5134   -1.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2328    0.7493   -1.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2415    1.3242   -2.3809 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9256    4.5482   -2.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9088    3.0491   -2.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5488    3.6524   -0.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1879    1.5359   -0.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1258   -0.4060    1.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6043    0.2853    1.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6903    0.3373   -1.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1645    2.2496   -2.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5594    2.8651   -1.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9183    3.9635   -0.4826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3962    0.9360   -0.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4957   -1.2689   -1.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2487    1.0855    1.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5260   -0.7398    2.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4030   -1.7085    0.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0565   -0.3959    3.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3432   -2.4984    1.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9715   -3.9188   -0.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6275   -3.1269    1.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1687   -2.5406    2.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7675   -4.2537    2.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4963   -2.0672    0.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2317   -1.0858   -1.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0912    0.8126   -2.5923 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
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  6 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
 17  8  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  6 31  1  0
  8 32  1  0
 10 33  1  0
 11 34  1  0
 11 35  1  0
 12 36  1  0
 13 37  1  0
 14 38  1  0
 15 39  1  0
 16 40  1  0
 17 41  1  0
 18 42  1  0
 19 43  1  0
 20 44  1  0
 21 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-1-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

2-[2,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

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

InChI Key

XIMYPIWCALSSQZ-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
Oxane
Monosaccharide
Secondary alcohol
Acetal
Oxacycle
Organoheterocyclic compound
Ether
Polyol
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

Cellular substructure

Extracellular (HMDB: HMDB0033300)
Cytoplasm (HMDB: HMDB0033300)

Source

Exogenous

Food

Food (HMDB: HMDB0033300)

Not Available

Nutrient (HMDB: HMDB0033300)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	162 - 166 °C	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	17.5 g/L	ALOGPS
logP	-1.8	ALOGPS
logP	-2.3	ChemAxon
logS	-1.3	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	36.49 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]+	186.174	31661259
DarkChem	[M-H]-	179.45	31661259
DeepCCS	[M+H]+	186.953	30932474
DeepCCS	[M-H]-	184.458	30932474
DeepCCS	[M-2H]-	218.887	30932474
DeepCCS	[M+Na]+	194.4	30932474
AllCCS	[M+H]+	188.0	32859911
AllCCS	[M+H-H2O]+	185.2	32859911
AllCCS	[M+NH4]+	190.5	32859911
AllCCS	[M+Na]+	191.2	32859911
AllCCS	[M-H]-	183.7	32859911
AllCCS	[M+Na-2H]-	184.0	32859911
AllCCS	[M+HCOO]-	184.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(1RS,2RS)-Guaiacylglycerol 1-glucoside	COC1=C(O)C=CC(=C1)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO	4348.4	Standard polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside	COC1=C(O)C=CC(=C1)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO	3499.4	Standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside	COC1=C(O)C=CC(=C1)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO	3190.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(1RS,2RS)-Guaiacylglycerol 1-glucoside,1TMS,isomer #1	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O)C(O)CO)=CC=C1O[Si](C)(C)C	3377.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,1TMS,isomer #2	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)CO)=CC=C1O	3350.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,1TMS,isomer #3	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)CO)=CC=C1O	3316.9	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,1TMS,isomer #4	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)CO)=CC=C1O	3289.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,1TMS,isomer #5	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)CO)=CC=C1O	3313.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,1TMS,isomer #6	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O)C(CO)O[Si](C)(C)C)=CC=C1O	3338.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,1TMS,isomer #7	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O)C(O)CO[Si](C)(C)C)=CC=C1O	3345.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TMS,isomer #1	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)CO)=CC=C1O[Si](C)(C)C	3271.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TMS,isomer #10	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(CO)O[Si](C)(C)C)=CC=C1O	3235.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TMS,isomer #11	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)CO[Si](C)(C)C)=CC=C1O	3244.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TMS,isomer #12	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)CO)=CC=C1O	3218.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TMS,isomer #13	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)CO)=CC=C1O	3201.4	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TMS,isomer #14	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(CO)O[Si](C)(C)C)=CC=C1O	3231.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TMS,isomer #15	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)CO[Si](C)(C)C)=CC=C1O	3237.9	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TMS,isomer #16	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)CO)=CC=C1O	3226.6	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TMS,isomer #17	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(CO)O[Si](C)(C)C)=CC=C1O	3211.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TMS,isomer #18	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)CO[Si](C)(C)C)=CC=C1O	3223.1	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TMS,isomer #19	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(CO)O[Si](C)(C)C)=CC=C1O	3228.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TMS,isomer #2	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)CO)=CC=C1O[Si](C)(C)C	3280.1	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TMS,isomer #20	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)CO[Si](C)(C)C)=CC=C1O	3234.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TMS,isomer #21	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	3272.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TMS,isomer #3	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)CO)=CC=C1O[Si](C)(C)C	3250.6	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TMS,isomer #4	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)CO)=CC=C1O[Si](C)(C)C	3279.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TMS,isomer #5	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O)C(CO)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3288.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TMS,isomer #6	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O)C(O)CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3283.1	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TMS,isomer #7	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)CO)=CC=C1O	3231.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TMS,isomer #8	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)CO)=CC=C1O	3211.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TMS,isomer #9	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)CO)=CC=C1O	3232.9	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #1	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)CO)=CC=C1O[Si](C)(C)C	3147.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #10	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)CO)=CC=C1O[Si](C)(C)C	3146.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #11	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(CO)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3112.6	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #12	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3119.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #13	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(CO)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3139.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #14	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3131.9	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #15	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3156.4	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #16	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)CO)=CC=C1O	3099.1	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #17	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)CO)=CC=C1O	3117.9	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #18	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(CO)O[Si](C)(C)C)=CC=C1O	3093.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #19	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)CO[Si](C)(C)C)=CC=C1O	3101.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #2	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)CO)=CC=C1O[Si](C)(C)C	3116.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #20	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)CO)=CC=C1O	3097.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #21	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(CO)O[Si](C)(C)C)=CC=C1O	3086.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #22	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)CO[Si](C)(C)C)=CC=C1O	3096.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #23	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(CO)O[Si](C)(C)C)=CC=C1O	3096.6	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #24	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)CO[Si](C)(C)C)=CC=C1O	3107.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #25	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	3072.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #26	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)CO)=CC=C1O	3131.1	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #27	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(CO)O[Si](C)(C)C)=CC=C1O	3114.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #28	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)CO[Si](C)(C)C)=CC=C1O	3112.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #29	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(CO)O[Si](C)(C)C)=CC=C1O	3118.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #3	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)CO)=CC=C1O[Si](C)(C)C	3150.6	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #30	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)CO[Si](C)(C)C)=CC=C1O	3120.4	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #31	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	3105.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #32	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(CO)O[Si](C)(C)C)=CC=C1O	3116.1	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #33	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)CO[Si](C)(C)C)=CC=C1O	3115.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #34	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	3088.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #35	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	3106.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #4	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(CO)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3114.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #5	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3115.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #6	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)CO)=CC=C1O[Si](C)(C)C	3139.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #7	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)CO)=CC=C1O[Si](C)(C)C	3143.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #8	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(CO)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3141.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TMS,isomer #9	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3135.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #1	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)CO)=CC=C1O[Si](C)(C)C	3043.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #10	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2989.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #11	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)CO)=CC=C1O[Si](C)(C)C	3071.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #12	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(CO)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3050.9	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #13	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3028.6	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #14	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(CO)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3068.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #15	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3051.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #16	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3033.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #17	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(CO)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3042.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #18	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3023.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #19	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2989.9	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #2	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)CO)=CC=C1O[Si](C)(C)C	3067.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #20	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3024.9	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #21	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)CO)=CC=C1O	3060.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #22	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(CO)O[Si](C)(C)C)=CC=C1O	3016.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #23	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)CO[Si](C)(C)C)=CC=C1O	2999.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #24	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(CO)O[Si](C)(C)C)=CC=C1O	3036.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #25	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)CO[Si](C)(C)C)=CC=C1O	3021.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #26	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	2980.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #27	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(CO)O[Si](C)(C)C)=CC=C1O	3005.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #28	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)CO[Si](C)(C)C)=CC=C1O	2988.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #29	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	2950.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #3	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(CO)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3025.9	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #30	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	2982.9	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #31	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(CO)O[Si](C)(C)C)=CC=C1O	3041.9	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #32	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)CO[Si](C)(C)C)=CC=C1O	3022.6	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #33	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	2993.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #34	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	3027.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #35	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	2985.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #4	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3014.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #5	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)CO)=CC=C1O[Si](C)(C)C	3034.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #6	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(CO)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3000.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #7	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2991.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #8	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(CO)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3021.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TMS,isomer #9	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3014.6	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,5TMS,isomer #1	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)CO)=CC=C1O[Si](C)(C)C	3022.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,5TMS,isomer #10	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2944.6	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,5TMS,isomer #11	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(CO)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2998.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,5TMS,isomer #12	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2976.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,5TMS,isomer #13	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2953.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,5TMS,isomer #14	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2975.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,5TMS,isomer #15	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2939.9	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,5TMS,isomer #16	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(CO)O[Si](C)(C)C)=CC=C1O	2976.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,5TMS,isomer #17	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)CO[Si](C)(C)C)=CC=C1O	2964.1	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,5TMS,isomer #18	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	2935.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,5TMS,isomer #19	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	2944.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,5TMS,isomer #2	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(CO)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2977.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,5TMS,isomer #20	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	2922.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,5TMS,isomer #21	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	2943.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,5TMS,isomer #3	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2963.1	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,5TMS,isomer #4	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(CO)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2987.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,5TMS,isomer #5	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2971.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,5TMS,isomer #6	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2954.1	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,5TMS,isomer #7	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(CO)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2964.4	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,5TMS,isomer #8	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2951.1	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,5TMS,isomer #9	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2928.6	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,6TMS,isomer #1	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(CO)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2962.6	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,6TMS,isomer #2	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2957.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,6TMS,isomer #3	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2946.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,6TMS,isomer #4	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2943.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,6TMS,isomer #5	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2930.6	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,6TMS,isomer #6	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2928.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,6TMS,isomer #7	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O	2920.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,7TMS,isomer #1	COC1=CC(C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	2939.9	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,1TBDMS,isomer #1	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O)C(O)CO)=CC=C1O[Si](C)(C)C(C)(C)C	3612.6	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,1TBDMS,isomer #2	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)CO)=CC=C1O	3582.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,1TBDMS,isomer #3	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)CO)=CC=C1O	3597.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,1TBDMS,isomer #4	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)CO)=CC=C1O	3580.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,1TBDMS,isomer #5	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)CO)=CC=C1O	3584.4	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,1TBDMS,isomer #6	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O	3595.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,1TBDMS,isomer #7	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O	3597.1	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TBDMS,isomer #1	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)CO)=CC=C1O[Si](C)(C)C(C)(C)C	3713.1	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TBDMS,isomer #10	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O	3711.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TBDMS,isomer #11	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O	3707.6	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TBDMS,isomer #12	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)CO)=CC=C1O	3706.1	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TBDMS,isomer #13	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)CO)=CC=C1O	3692.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TBDMS,isomer #14	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O	3744.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TBDMS,isomer #15	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O	3743.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TBDMS,isomer #16	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)CO)=CC=C1O	3706.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TBDMS,isomer #17	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O	3723.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TBDMS,isomer #18	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O	3726.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TBDMS,isomer #19	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O	3717.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TBDMS,isomer #2	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)CO)=CC=C1O[Si](C)(C)C(C)(C)C	3741.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TBDMS,isomer #20	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O	3719.4	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TBDMS,isomer #21	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O	3746.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TBDMS,isomer #3	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)CO)=CC=C1O[Si](C)(C)C(C)(C)C	3710.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TBDMS,isomer #4	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)CO)=CC=C1O[Si](C)(C)C(C)(C)C	3718.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TBDMS,isomer #5	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3754.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TBDMS,isomer #6	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3753.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TBDMS,isomer #7	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)CO)=CC=C1O	3696.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TBDMS,isomer #8	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)CO)=CC=C1O	3677.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,2TBDMS,isomer #9	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)CO)=CC=C1O	3683.4	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #1	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)CO)=CC=C1O[Si](C)(C)C(C)(C)C	3847.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #10	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)CO)=CC=C1O[Si](C)(C)C(C)(C)C	3855.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #11	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3873.9	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #12	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3893.4	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #13	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3858.4	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #14	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3870.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #15	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3877.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #16	COC1=CC(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)C(O)CO)=CC=C1O	3818.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #17	COC1=CC(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)C(O)CO)=CC=C1O	3814.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #18	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O	3833.9	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #19	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O	3848.1	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #2	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)CO)=CC=C1O[Si](C)(C)C(C)(C)C	3842.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #20	COC1=CC(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)C(O)CO)=CC=C1O	3811.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #21	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O	3833.6	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #22	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O	3855.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #23	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O	3820.9	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #24	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O	3834.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #25	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O	3817.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #26	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)CO)=CC=C1O	3813.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #27	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O	3839.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #28	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O	3857.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #29	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O	3832.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #3	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)CO)=CC=C1O[Si](C)(C)C(C)(C)C	3828.4	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #30	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O	3848.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #31	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O	3843.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #32	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O	3845.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #33	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O	3864.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #34	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O	3839.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #35	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O	3830.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #4	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3848.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #5	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3857.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #6	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)CO)=CC=C1O[Si](C)(C)C(C)(C)C	3847.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #7	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)CO)=CC=C1O[Si](C)(C)C(C)(C)C	3839.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #8	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3878.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,3TBDMS,isomer #9	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3891.6	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #1	COC1=CC(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)C(O)CO)=CC=C1O[Si](C)(C)C(C)(C)C	3975.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #10	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3930.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #11	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)CO)=CC=C1O[Si](C)(C)C(C)(C)C	3951.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #12	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3984.0	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #13	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	4000.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #14	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3977.9	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #15	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3989.4	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #16	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3959.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #17	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3987.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #18	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3997.5	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #19	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3972.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #2	COC1=CC(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)C(O)CO)=CC=C1O[Si](C)(C)C(C)(C)C	3964.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #20	COC1=CC(C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3944.3	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #21	COC1=CC(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[Si](C)(C)C(C)(C)C)C(O)CO)=CC=C1O	3956.9	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #22	COC1=CC(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)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O	3983.6	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #23	COC1=CC(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)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O	4007.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #24	COC1=CC(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)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O	3986.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #25	COC1=CC(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)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O	4006.9	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #26	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O	3940.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #27	COC1=CC(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)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O	3978.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #28	COC1=CC(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)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O	4002.1	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #29	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O	3964.4	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #3	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3968.9	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #30	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O	3927.9	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #31	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O	3947.6	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #32	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O	3983.6	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #33	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O	3954.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #34	COC1=CC(C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O	3960.2	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #35	COC1=CC(C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=CC=C1O	3961.4	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #4	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3977.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #5	COC1=CC(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)C(O)CO)=CC=C1O[Si](C)(C)C(C)(C)C	3958.7	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #6	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3985.8	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #7	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	4004.6	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #8	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3948.6	Semi standard non polar	33892256
(1RS,2RS)-Guaiacylglycerol 1-glucoside,4TBDMS,isomer #9	COC1=CC(C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	3958.2	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 - (1RS,2RS)-Guaiacylglycerol 1-glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0bu0-6938000000-aa24a31718b3cf7ae34a	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1RS,2RS)-Guaiacylglycerol 1-glucoside GC-MS (4 TMS) - 70eV, Positive	splash10-0gx1-4272019000-ab77ed40cbfc7b5ab91a	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1RS,2RS)-Guaiacylglycerol 1-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 - (1RS,2RS)-Guaiacylglycerol 1-glucoside 10V, Positive-QTOF	splash10-0691-1759000000-95809697e573dd8a8f3f	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1RS,2RS)-Guaiacylglycerol 1-glucoside 20V, Positive-QTOF	splash10-00kb-0931000000-ebb2e4d30fc307d7e598	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1RS,2RS)-Guaiacylglycerol 1-glucoside 40V, Positive-QTOF	splash10-01ot-5910000000-57ea3b59752f221d383e	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1RS,2RS)-Guaiacylglycerol 1-glucoside 10V, Negative-QTOF	splash10-004i-2449000000-d15b3aa8dc55885313ab	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1RS,2RS)-Guaiacylglycerol 1-glucoside 20V, Negative-QTOF	splash10-03dj-2954000000-ce75c8d13cff6caaad45	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1RS,2RS)-Guaiacylglycerol 1-glucoside 40V, Negative-QTOF	splash10-08fv-9720000000-02d375fb0e93faa947a7	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1RS,2RS)-Guaiacylglycerol 1-glucoside 10V, Positive-QTOF	splash10-0002-0913000000-aef00149228737c062f1	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1RS,2RS)-Guaiacylglycerol 1-glucoside 20V, Positive-QTOF	splash10-0f72-0900000000-2cef2c7ce9898fea955c	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1RS,2RS)-Guaiacylglycerol 1-glucoside 40V, Positive-QTOF	splash10-0f9j-2921000000-21a0fd48920fc90a31ba	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1RS,2RS)-Guaiacylglycerol 1-glucoside 10V, Negative-QTOF	splash10-004i-0009000000-a632ce928873dcdfe9dc	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1RS,2RS)-Guaiacylglycerol 1-glucoside 20V, Negative-QTOF	splash10-005i-1917000000-46013863de4dab3cba30	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1RS,2RS)-Guaiacylglycerol 1-glucoside 40V, Negative-QTOF	splash10-0541-4911000000-10bff5f9c95afca5db4c	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

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

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

FDB011324

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

131751407

PDB ID

Not Available

ChEBI ID

175823

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 (1RS,2RS)-Guaiacylglycerol 1-glucoside (HMDB0033300)

MOL for HMDB0033300 ((1RS,2RS)-Guaiacylglycerol 1-glucoside)

3D MOL for HMDB0033300 ((1RS,2RS)-Guaiacylglycerol 1-glucoside)

3D SDF for HMDB0033300 ((1RS,2RS)-Guaiacylglycerol 1-glucoside)

3D-SDF for HMDB0033300 ((1RS,2RS)-Guaiacylglycerol 1-glucoside)

PDB for HMDB0033300 ((1RS,2RS)-Guaiacylglycerol 1-glucoside)

3D PDB for HMDB0033300 ((1RS,2RS)-Guaiacylglycerol 1-glucoside)

SMILES for HMDB0033300 ((1RS,2RS)-Guaiacylglycerol 1-glucoside)

INCHI for HMDB0033300 ((1RS,2RS)-Guaiacylglycerol 1-glucoside)

Structure for HMDB0033300 ((1RS,2RS)-Guaiacylglycerol 1-glucoside)

3D Structure for HMDB0033300 ((1RS,2RS)-Guaiacylglycerol 1-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra