Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 02:07:01 UTC

Update Date

2022-03-07 02:56:38 UTC

HMDB ID

HMDB0040555

Secondary Accession Numbers

HMDB40555

Metabolite Identification

Common Name

(E)-Oxyresveratrol 3'-O-b-D-glucoside

Description

(E)-Oxyresveratrol 3'-O-b-D-glucoside belongs to the class of organic compounds known as stilbene glycosides. Stilbene glycosides are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton (E)-Oxyresveratrol 3'-O-b-D-glucoside has been detected, but not quantified in, fruits. This could make (e)-oxyresveratrol 3'-O-b-D-glucoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on (E)-Oxyresveratrol 3'-O-b-D-glucoside.

Structure

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


  Mrv0541 05061311562D          

 29 31  0  0  0  0            999 V2000
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  3  2  0  0  0  0
 10  1  1  0  0  0  0
 10  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 12  8  2  0  0  0  0
 13  5  1  0  0  0  0
 13  7  2  0  0  0  0
 14  6  2  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 15 11  2  0  0  0  0
 16  9  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21  9  1  0  0  0  0
 22 12  1  0  0  0  0
 23 13  1  0  0  0  0
 24 15  1  0  0  0  0
 25 17  1  0  0  0  0
 26 18  1  0  0  0  0
 27 19  1  0  0  0  0
 28 14  1  0  0  0  0
 28 20  1  0  0  0  0
 29 16  1  0  0  0  0
 29 20  1  0  0  0  0
M  END

HMDB0040555
     RDKit          3D
(E)-Oxyresveratrol 3'-O-b-D-glucoside
 51 53  0  0  0  0  0  0  0  0999 V2000
   -4.6796    2.4583    2.5835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1824    1.2972    2.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6781    1.1175    0.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3164    1.0445    0.6334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6816    0.8133   -0.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7294   -0.1745   -0.3574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3756   -0.1414   -0.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2313    0.9790   -1.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5836    0.9718   -1.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1746    2.1268   -1.8563 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3964   -0.1161   -1.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8075   -1.2414   -0.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -2.3718   -0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7669   -2.3960    0.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6239   -1.2841    0.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1377   -0.0814    1.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9815    0.9952    1.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3331    0.8672    1.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2092    1.9145    1.5596 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8070   -0.3437    0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0064   -1.4129    0.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5283   -2.5884    0.1256 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4178   -1.2330   -0.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6606    0.3033   -1.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4705    1.3118   -2.1259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4392   -0.8194   -0.9855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5152   -1.5873   -0.2560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3292   -0.1468    0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5169   -1.0544    1.0810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3046    2.8943    3.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3018    1.4089    1.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9389    0.4361    2.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0327    2.0287    0.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2777    1.7523   -1.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3342    1.8915   -1.3667 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4893    2.8033   -1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4708   -0.0482   -1.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1144   -3.3653   -0.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2050   -3.3971    0.6432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0779    0.0807    1.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5646    1.9338    1.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9154    2.8021    1.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8714   -0.4519    0.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -3.4367   -0.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013   -2.1421    0.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0481   -0.0602   -2.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3751    0.9567   -2.3507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0104   -1.4162   -1.7054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9446   -2.1396   -0.8336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3094    0.1363   -0.4029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9274   -1.8751    0.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 12 23  2  0
  5 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28  3  1  0
 23  7  1  0
 21 15  1  0
  1 30  1  0
  2 31  1  0
  2 32  1  0
  3 33  1  0
  5 34  1  0
  8 35  1  0
 10 36  1  0
 11 37  1  0
 13 38  1  0
 14 39  1  0
 16 40  1  0
 17 41  1  0
 19 42  1  0
 20 43  1  0
 22 44  1  0
 23 45  1  0
 24 46  1  0
 25 47  1  0
 26 48  1  0
 27 49  1  0
 28 50  1  0
 29 51  1  0
M  END


  Mrv0541 05061311562D          

 29 31  0  0  0  0            999 V2000
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  3  2  0  0  0  0
 10  1  1  0  0  0  0
 10  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 12  8  2  0  0  0  0
 13  5  1  0  0  0  0
 13  7  2  0  0  0  0
 14  6  2  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 15 11  2  0  0  0  0
 16  9  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21  9  1  0  0  0  0
 22 12  1  0  0  0  0
 23 13  1  0  0  0  0
 24 15  1  0  0  0  0
 25 17  1  0  0  0  0
 26 18  1  0  0  0  0
 27 19  1  0  0  0  0
 28 14  1  0  0  0  0
 28 20  1  0  0  0  0
 29 16  1  0  0  0  0
 29 20  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0040555

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=CC(\C=C/C3=C(O)C=C(O)C=C3)=CC(O)=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-14-6-10(5-13(23)7-14)1-2-11-3-4-12(22)8-15(11)24/h1-8,16-27H,9H2/b2-1-

> <INCHI_KEY>
GGQVPULXXVQLRT-UPHRSURJSA-N

> <FORMULA>
C20H22O9

> <MOLECULAR_WEIGHT>
406.3833

> <EXACT_MASS>
406.126382302

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
40.07038192705255

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-{3-[(Z)-2-(2,4-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
0.40

> <JCHEM_LOGP>
0.8307574713333334

> <ALOGPS_LOGS>
-2.70

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.516448694117683

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.922937482618151

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981092343730565

> <JCHEM_POLAR_SURFACE_AREA>
160.07

> <JCHEM_REFRACTIVITY>
101.58079999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.08e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{3-[(Z)-2-(2,4-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0040555
     RDKit          3D
(E)-Oxyresveratrol 3'-O-b-D-glucoside
 51 53  0  0  0  0  0  0  0  0999 V2000
   -4.6796    2.4583    2.5835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1824    1.2972    2.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6781    1.1175    0.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3164    1.0445    0.6334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6816    0.8133   -0.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7294   -0.1745   -0.3574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3756   -0.1414   -0.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2313    0.9790   -1.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5836    0.9718   -1.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1746    2.1268   -1.8563 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3964   -0.1161   -1.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8075   -1.2414   -0.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -2.3718   -0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7669   -2.3960    0.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6239   -1.2841    0.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1377   -0.0814    1.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9815    0.9952    1.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3331    0.8672    1.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2092    1.9145    1.5596 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8070   -0.3437    0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0064   -1.4129    0.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5283   -2.5884    0.1256 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4178   -1.2330   -0.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6606    0.3033   -1.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4705    1.3118   -2.1259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4392   -0.8194   -0.9855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5152   -1.5873   -0.2560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3292   -0.1468    0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5169   -1.0544    1.0810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3046    2.8943    3.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3018    1.4089    1.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9389    0.4361    2.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0327    2.0287    0.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2777    1.7523   -1.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3342    1.8915   -1.3667 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4893    2.8033   -1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4708   -0.0482   -1.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1144   -3.3653   -0.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2050   -3.3971    0.6432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0779    0.0807    1.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5646    1.9338    1.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9154    2.8021    1.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8714   -0.4519    0.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -3.4367   -0.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013   -2.1421    0.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0481   -0.0602   -2.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3751    0.9567   -2.3507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0104   -1.4162   -1.7054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9446   -2.1396   -0.8336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3094    0.1363   -0.4029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9274   -1.8751    0.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 12 23  2  0
  5 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28  3  1  0
 23  7  1  0
 21 15  1  0
  1 30  1  0
  2 31  1  0
  2 32  1  0
  3 33  1  0
  5 34  1  0
  8 35  1  0
 10 36  1  0
 11 37  1  0
 13 38  1  0
 14 39  1  0
 16 40  1  0
 17 41  1  0
 19 42  1  0
 20 43  1  0
 22 44  1  0
 23 45  1  0
 24 46  1  0
 25 47  1  0
 26 48  1  0
 27 49  1  0
 28 50  1  0
 29 51  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334   8.470   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -5.335   6.160   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334   8.470   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -6.668  13.090   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000   9.240   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.335   4.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -6.668  11.550   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -8.002  10.780   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -8.002   9.240   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -6.668   8.470   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -5.335   9.240   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -8.002  13.860   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       0.000  10.780   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -6.668   3.850   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       2.667   6.160   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -9.336  11.550   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -9.336   8.470   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -6.668   6.930   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -4.001   8.470   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -5.335  10.780   0.000  0.00  0.00           O+0
CONECT    1    2   10                                                       
CONECT    2    1   11                                                       
CONECT    3    4   11                                                       
CONECT    4    3   12                                                       
CONECT    5   10   13                                                       
CONECT    6   10   14                                                       
CONECT    7   13   14                                                       
CONECT    8   12   15                                                       
CONECT    9   16   21                                                       
CONECT   10    1    5    6                                                  
CONECT   11    2    3   15                                                  
CONECT   12    4    8   22                                                  
CONECT   13    5    7   23                                                  
CONECT   14    6    7   28                                                  
CONECT   15    8   11   24                                                  
CONECT   16    9   17   29                                                  
CONECT   17   16   18   25                                                  
CONECT   18   17   19   26                                                  
CONECT   19   18   20   27                                                  
CONECT   20   19   28   29                                                  
CONECT   21    9                                                            
CONECT   22   12                                                            
CONECT   23   13                                                            
CONECT   24   15                                                            
CONECT   25   17                                                            
CONECT   26   18                                                            
CONECT   27   19                                                            
CONECT   28   14   20                                                       
CONECT   29   16   20                                                       
MASTER        0    0    0    0    0    0    0    0   29    0   62    0
END

COMPND    HMDB0040555
HETATM    1  O1  UNL     1      -4.680   2.458   2.583  1.00  0.00           O  
HETATM    2  C1  UNL     1      -5.182   1.297   2.002  1.00  0.00           C  
HETATM    3  C2  UNL     1      -4.678   1.117   0.579  1.00  0.00           C  
HETATM    4  O2  UNL     1      -3.316   1.045   0.633  1.00  0.00           O  
HETATM    5  C3  UNL     1      -2.682   0.813  -0.584  1.00  0.00           C  
HETATM    6  O3  UNL     1      -1.729  -0.175  -0.357  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.376  -0.141  -0.584  1.00  0.00           C  
HETATM    8  C5  UNL     1       0.231   0.979  -1.109  1.00  0.00           C  
HETATM    9  C6  UNL     1       1.584   0.972  -1.321  1.00  0.00           C  
HETATM   10  O4  UNL     1       2.175   2.127  -1.856  1.00  0.00           O  
HETATM   11  C7  UNL     1       2.396  -0.116  -1.036  1.00  0.00           C  
HETATM   12  C8  UNL     1       1.807  -1.241  -0.510  1.00  0.00           C  
HETATM   13  C9  UNL     1       2.590  -2.372  -0.106  1.00  0.00           C  
HETATM   14  C10 UNL     1       3.767  -2.396   0.423  1.00  0.00           C  
HETATM   15  C11 UNL     1       4.624  -1.284   0.787  1.00  0.00           C  
HETATM   16  C12 UNL     1       4.138  -0.081   1.250  1.00  0.00           C  
HETATM   17  C13 UNL     1       4.981   0.995   1.513  1.00  0.00           C  
HETATM   18  C14 UNL     1       6.333   0.867   1.311  1.00  0.00           C  
HETATM   19  O5  UNL     1       7.209   1.915   1.560  1.00  0.00           O  
HETATM   20  C15 UNL     1       6.807  -0.344   0.848  1.00  0.00           C  
HETATM   21  C16 UNL     1       6.006  -1.413   0.582  1.00  0.00           C  
HETATM   22  O6  UNL     1       6.528  -2.588   0.126  1.00  0.00           O  
HETATM   23  C17 UNL     1       0.418  -1.233  -0.293  1.00  0.00           C  
HETATM   24  C18 UNL     1      -3.661   0.303  -1.640  1.00  0.00           C  
HETATM   25  O7  UNL     1      -4.470   1.312  -2.126  1.00  0.00           O  
HETATM   26  C19 UNL     1      -4.439  -0.819  -0.985  1.00  0.00           C  
HETATM   27  O8  UNL     1      -3.515  -1.587  -0.256  1.00  0.00           O  
HETATM   28  C20 UNL     1      -5.329  -0.147   0.054  1.00  0.00           C  
HETATM   29  O9  UNL     1      -5.517  -1.054   1.081  1.00  0.00           O  
HETATM   30  H1  UNL     1      -5.305   2.894   3.196  1.00  0.00           H  
HETATM   31  H2  UNL     1      -6.302   1.409   1.994  1.00  0.00           H  
HETATM   32  H3  UNL     1      -4.939   0.436   2.650  1.00  0.00           H  
HETATM   33  H4  UNL     1      -5.033   2.029   0.025  1.00  0.00           H  
HETATM   34  H5  UNL     1      -2.278   1.752  -1.006  1.00  0.00           H  
HETATM   35  H6  UNL     1      -0.334   1.892  -1.367  1.00  0.00           H  
HETATM   36  H7  UNL     1       2.489   2.803  -1.143  1.00  0.00           H  
HETATM   37  H8  UNL     1       3.471  -0.048  -1.288  1.00  0.00           H  
HETATM   38  H9  UNL     1       2.114  -3.365  -0.271  1.00  0.00           H  
HETATM   39  H10 UNL     1       4.205  -3.397   0.643  1.00  0.00           H  
HETATM   40  H11 UNL     1       3.078   0.081   1.487  1.00  0.00           H  
HETATM   41  H12 UNL     1       4.565   1.934   1.877  1.00  0.00           H  
HETATM   42  H13 UNL     1       6.915   2.802   1.892  1.00  0.00           H  
HETATM   43  H14 UNL     1       7.871  -0.452   0.688  1.00  0.00           H  
HETATM   44  H15 UNL     1       6.075  -3.437  -0.109  1.00  0.00           H  
HETATM   45  H16 UNL     1       0.001  -2.142   0.120  1.00  0.00           H  
HETATM   46  H17 UNL     1      -3.048  -0.060  -2.488  1.00  0.00           H  
HETATM   47  H18 UNL     1      -5.375   0.957  -2.351  1.00  0.00           H  
HETATM   48  H19 UNL     1      -5.010  -1.416  -1.705  1.00  0.00           H  
HETATM   49  H20 UNL     1      -2.945  -2.140  -0.834  1.00  0.00           H  
HETATM   50  H21 UNL     1      -6.309   0.136  -0.403  1.00  0.00           H  
HETATM   51  H22 UNL     1      -5.927  -1.875   0.762  1.00  0.00           H  
CONECT    1    2   30
CONECT    2    3   31   32
CONECT    3    4   28   33
CONECT    4    5
CONECT    5    6   24   34
CONECT    6    7
CONECT    7    8    8   23
CONECT    8    9   35
CONECT    9   10   11   11
CONECT   10   36
CONECT   11   12   37
CONECT   12   13   23   23
CONECT   13   14   14   38
CONECT   14   15   39
CONECT   15   16   16   21
CONECT   16   17   40
CONECT   17   18   18   41
CONECT   18   19   20
CONECT   19   42
CONECT   20   21   21   43
CONECT   21   22
CONECT   22   44
CONECT   23   45
CONECT   24   25   26   46
CONECT   25   47
CONECT   26   27   28   48
CONECT   27   49
CONECT   28   29   50
CONECT   29   51
END

HMDB0040555
     RDKit          3D
(E)-Oxyresveratrol 3'-O-b-D-glucoside
 51 53  0  0  0  0  0  0  0  0999 V2000
   -4.6796    2.4583    2.5835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1824    1.2972    2.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6781    1.1175    0.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3164    1.0445    0.6334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6816    0.8133   -0.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7294   -0.1745   -0.3574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3756   -0.1414   -0.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2313    0.9790   -1.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5836    0.9718   -1.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1746    2.1268   -1.8563 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3964   -0.1161   -1.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8075   -1.2414   -0.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -2.3718   -0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7669   -2.3960    0.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6239   -1.2841    0.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1377   -0.0814    1.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9815    0.9952    1.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3331    0.8672    1.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2092    1.9145    1.5596 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8070   -0.3437    0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0064   -1.4129    0.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5283   -2.5884    0.1256 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4178   -1.2330   -0.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6606    0.3033   -1.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4705    1.3118   -2.1259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4392   -0.8194   -0.9855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5152   -1.5873   -0.2560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3292   -0.1468    0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5169   -1.0544    1.0810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3046    2.8943    3.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3018    1.4089    1.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9389    0.4361    2.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0327    2.0287    0.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2777    1.7523   -1.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3342    1.8915   -1.3667 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4893    2.8033   -1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4708   -0.0482   -1.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1144   -3.3653   -0.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2050   -3.3971    0.6432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0779    0.0807    1.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5646    1.9338    1.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9154    2.8021    1.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8714   -0.4519    0.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -3.4367   -0.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013   -2.1421    0.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0481   -0.0602   -2.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3751    0.9567   -2.3507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0104   -1.4162   -1.7054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9446   -2.1396   -0.8336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3094    0.1363   -0.4029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9274   -1.8751    0.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 12 23  2  0
  5 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28  3  1  0
 23  7  1  0
 21 15  1  0
  1 30  1  0
  2 31  1  0
  2 32  1  0
  3 33  1  0
  5 34  1  0
  8 35  1  0
 10 36  1  0
 11 37  1  0
 13 38  1  0
 14 39  1  0
 16 40  1  0
 17 41  1  0
 19 42  1  0
 20 43  1  0
 22 44  1  0
 23 45  1  0
 24 46  1  0
 25 47  1  0
 26 48  1  0
 27 49  1  0
 28 50  1  0
 29 51  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Oxyresveratrol 3'-O-beta-glucopyranoside	HMDB

Chemical Formula

C₂₀H₂₂O₉

Average Molecular Weight

406.3833

Monoisotopic Molecular Weight

406.126382302

IUPAC Name

2-{3-[(Z)-2-(2,4-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

2-{3-[(Z)-2-(2,4-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

144525-40-6

SMILES

OCC1OC(OC2=CC(\C=C/C3=C(O)C=C(O)C=C3)=CC(O)=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-14-6-10(5-13(23)7-14)1-2-11-3-4-12(22)8-15(11)24/h1-8,16-27H,9H2/b2-1-

InChI Key

GGQVPULXXVQLRT-UPHRSURJSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as stilbene glycosides. Stilbene glycosides are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Stilbenes

Sub Class

Stilbene glycosides

Direct Parent

Stilbene glycosides

Alternative Parents

Substituents

Stilbene glycoside
Phenolic glycoside
Hexose monosaccharide
O-glycosyl compound
Glycosyl compound
Phenol ether
Phenoxy compound
Resorcinol
Styrene
Phenol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Oxane
Benzenoid
Monosaccharide
Monocyclic benzene moiety
Secondary alcohol
Acetal
Oxacycle
Organoheterocyclic compound
Polyol
Alcohol
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organic oxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0040555)
Cytoplasm (HMDB: HMDB0040555)

Cytoplasm (HMDB: HMDB0040555)
Extracellular (HMDB: HMDB0040555)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0040555)

Source

Exogenous

Food

Food (HMDB: HMDB0040555)

Fruit

Fruits (FooDB: FOOD00871)

Endogenous

Plant

Plant (HMDB: HMDB0040555)

Not Available

Nutrient (HMDB: HMDB0040555)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	155 - 157 °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	0.81 g/L	ALOGPS
logP	0.4	ALOGPS
logP	0.83	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	8.92	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	160.07 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	101.58 m³·mol⁻¹	ChemAxon
Polarizability	40.07 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	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
DeepCCS	[M+H]+	195.069	30932474
DeepCCS	[M-H]-	192.711	30932474
DeepCCS	[M-2H]-	226.545	30932474
DeepCCS	[M+Na]+	201.713	30932474
AllCCS	[M+H]+	196.7	32859911
AllCCS	[M+H-H2O]+	194.1	32859911
AllCCS	[M+NH4]+	199.1	32859911
AllCCS	[M+Na]+	199.8	32859911
AllCCS	[M-H]-	192.0	32859911
AllCCS	[M+Na-2H]-	192.3	32859911
AllCCS	[M+HCOO]-	192.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(E)-Oxyresveratrol 3'-O-b-D-glucoside	OCC1OC(OC2=CC(\C=C/C3=C(O)C=C(O)C=C3)=CC(O)=C2)C(O)C(O)C1O	6479.9	Standard polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside	OCC1OC(OC2=CC(\C=C/C3=C(O)C=C(O)C=C3)=CC(O)=C2)C(O)C(O)C1O	4200.5	Standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside	OCC1OC(OC2=CC(\C=C/C3=C(O)C=C(O)C=C3)=CC(O)=C2)C(O)C(O)C1O	4214.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(E)-Oxyresveratrol 3'-O-b-D-glucoside,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O)C(O)C1O	4046.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=CC=C1/C=C\C1=CC(O)=CC(OC2OC(CO)C(O)C(O)C2O)=C1	4041.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,1TMS,isomer #3	C[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)=C1	4091.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,1TMS,isomer #4	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O)=CC(OC2OC(CO)C(O)C(O)C2O)=C1	4089.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,1TMS,isomer #5	C[Si](C)(C)OC1C(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)OC(CO)C(O)C1O	4061.0	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,1TMS,isomer #6	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C1O	4051.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,1TMS,isomer #7	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O)C1O	4059.7	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O)=CC(O[Si](C)(C)C)=C2)C(O)C(O)C1O	4019.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=CC=C1/C=C\C1=CC(O)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C1	3965.1	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=CC=C1/C=C\C1=CC(O)=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C1	3986.7	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TMS,isomer #12	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C)C=C2O)=CC(OC2OC(CO)C(O)C(O)C2O)=C1	3977.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TMS,isomer #13	C[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O)=C1	3970.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TMS,isomer #14	C[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O)=C1	3961.7	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TMS,isomer #15	C[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O)=C1	3987.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TMS,isomer #16	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C1	4000.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TMS,isomer #17	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C1	3993.1	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TMS,isomer #18	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O)=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C1	4016.1	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TMS,isomer #19	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O[Si](C)(C)C)C1O	4019.7	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O)=C2)C(O)C(O)C1O	3991.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TMS,isomer #20	C[Si](C)(C)OC1C(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)OC(CO)C(O)C1O[Si](C)(C)C	4028.0	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TMS,isomer #21	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O)C1O[Si](C)(C)C	4008.6	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	3989.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	4030.7	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	4018.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	4025.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TMS,isomer #7	C[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C)=C1	3961.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TMS,isomer #8	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O[Si](C)(C)C)=CC(OC2OC(CO)C(O)C(O)C2O)=C1	3980.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=CC=C1/C=C\C1=CC(O)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C1	3977.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O)=CC(O[Si](C)(C)C)=C2)C(O)C(O)C1O	3866.6	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	3910.6	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	3874.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	3899.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3963.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3984.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3955.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #16	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)=CC(OC2OC(CO)C(O)C(O)C2O)=C1	3865.0	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #17	C[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(O[Si](C)(C)C)=C1	3823.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #18	C[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)=C1	3794.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #19	C[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)=C1	3832.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C(O)C(O)C1O	3867.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #20	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O[Si](C)(C)C)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C1	3855.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #21	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O[Si](C)(C)C)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C1	3832.6	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #22	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O[Si](C)(C)C)=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C1	3864.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #23	C[Si](C)(C)OC1=CC(O)=CC=C1/C=C\C1=CC(O)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1	3873.1	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #24	C[Si](C)(C)OC1=CC(O)=CC=C1/C=C\C1=CC(O)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1	3889.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=CC=C1/C=C\C1=CC(O)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	3892.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #26	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C)C=C2O)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C1	3855.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #27	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C)C=C2O)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C1	3834.5	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #28	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C)C=C2O)=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C1	3869.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #29	C[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O)=C1	3866.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O)=CC(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	3934.6	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #30	C[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O)=C1	3886.5	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #31	C[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)=C1	3892.0	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #32	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1	3897.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #33	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1	3916.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #34	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	3919.6	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #35	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3960.6	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O)=CC(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	3901.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O)=CC(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	3917.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)=C2)C(O)C(O)C1O	3839.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O)=C2)C(O[Si](C)(C)C)C(O)C1O	3904.6	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O)=C2)C(O)C(O[Si](C)(C)C)C1O	3870.0	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O)=C2)C(O)C(O)C1O[Si](C)(C)C	3888.0	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C(O)C(O)C1O	3797.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O)=CC(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3865.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	3796.5	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	3751.7	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	3789.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3827.7	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3856.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3821.0	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3832.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3857.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3828.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O)=CC(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	3830.0	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3936.1	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #21	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C1	3805.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #22	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C1	3782.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #23	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C1	3796.6	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #24	C[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(O[Si](C)(C)C)=C1	3770.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #25	C[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)=C1	3780.7	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #26	C[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)=C1	3779.7	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #27	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O[Si](C)(C)C)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1	3794.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #28	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O[Si](C)(C)C)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1	3806.6	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #29	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O[Si](C)(C)C)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	3803.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O)=CC(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	3781.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=CC=C1/C=C\C1=CC(O)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	3834.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #31	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C)C=C2O)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1	3793.1	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #32	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C)C=C2O)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1	3811.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #33	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C)C=C2O)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	3806.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #34	C[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O)=C1	3832.1	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #35	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	3864.7	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O)=CC(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	3823.0	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	3817.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	3777.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	3812.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O)=CC(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3868.1	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O)=CC(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3886.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,5TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	3777.7	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,5TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O)=CC(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3875.5	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,5TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3751.5	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,5TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3780.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,5TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3752.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,5TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3841.7	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,5TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3841.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,5TMS,isomer #16	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1	3743.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,5TMS,isomer #17	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1	3762.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,5TMS,isomer #18	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	3751.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,5TMS,isomer #19	C[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)=C1	3752.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,5TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	3758.5	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,5TMS,isomer #20	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O[Si](C)(C)C)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	3775.6	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,5TMS,isomer #21	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C)C=C2O)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	3783.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,5TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	3772.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,5TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O)=CC(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3774.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,5TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O)=CC(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3806.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,5TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O)=CC(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3775.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,5TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3774.0	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,5TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3795.7	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,5TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3776.7	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,6TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3746.5	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,6TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3752.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,6TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3748.5	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,6TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O)=CC(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3784.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,6TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3776.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,6TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3759.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,6TMS,isomer #7	C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	3729.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O)C(O)C1O	4304.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1/C=C\C1=CC(O)=CC(OC2OC(CO)C(O)C(O)C2O)=C1	4302.6	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O)=C1	4332.5	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O)=CC(OC2OC(CO)C(O)C(O)C2O)=C1	4336.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)OC(CO)C(O)C1O	4326.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C1O	4328.5	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O)C1O	4331.6	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O	4495.1	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1/C=C\C1=CC(O)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1	4413.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1/C=C\C1=CC(O)=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1	4440.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O)=CC(OC2OC(CO)C(O)C(O)C2O)=C1	4475.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2)C(O)=C1	4441.7	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)C(O)=C1	4428.6	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2)C(O)=C1	4457.6	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O)=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1	4474.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1	4462.6	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O)=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1	4487.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O	4495.0	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)=C2)C(O)C(O)C1O	4456.6	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4492.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O)C1O[Si](C)(C)C(C)(C)C	4476.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O	4441.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4505.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4489.5	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4492.1	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C(O[Si](C)(C)C(C)(C)C)=C1	4439.7	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O[Si](C)(C)C(C)(C)C)=CC(OC2OC(CO)C(O)C(O)C2O)=C1	4458.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1/C=C\C1=CC(O)=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1	4432.6	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O	4569.0	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4551.0	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4523.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4534.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4591.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4618.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4586.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O[Si](C)(C)C(C)(C)C)=CC(OC2OC(CO)C(O)C(O)C2O)=C1	4609.5	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2)C(O[Si](C)(C)C(C)(C)C)=C1	4526.0	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)C(O[Si](C)(C)C(C)(C)C)=C1	4504.7	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)=C1	4528.0	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O	4569.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O[Si](C)(C)C(C)(C)C)=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1	4563.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O[Si](C)(C)C(C)(C)C)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1	4545.1	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O[Si](C)(C)C(C)(C)C)=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1	4561.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1/C=C\C1=CC(O)=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C1	4521.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1/C=C\C1=CC(O)=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C1	4540.0	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1/C=C\C1=CC(O)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C1	4544.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O)=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1	4555.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1	4541.5	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O)=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1	4561.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)C(O)=C1	4525.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4592.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C2)C(O)=C1	4549.5	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C2)C(O)=C1	4552.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O)=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C1	4556.1	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O)=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C1	4576.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C1	4581.7	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4588.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4563.6	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4572.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O	4528.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4558.6	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4529.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4537.7	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O	4687.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4664.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4620.1	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4619.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4623.1	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4639.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4675.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4625.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4630.5	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4656.7	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4617.5	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4665.5	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC(/C=C\C3=CC=C(O)C=C3O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4735.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O[Si](C)(C)C(C)(C)C)=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1	4713.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O[Si](C)(C)C(C)(C)C)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1	4712.6	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O[Si](C)(C)C(C)(C)C)=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1	4704.5	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)C(O[Si](C)(C)C(C)(C)C)=C1	4611.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)=C1	4619.2	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)=C1	4634.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O[Si](C)(C)C(C)(C)C)=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C1	4654.5	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O[Si](C)(C)C(C)(C)C)=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C1	4660.4	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O[Si](C)(C)C(C)(C)C)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C1	4676.5	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4662.8	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1/C=C\C1=CC(O)=CC(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)=C1	4626.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O)=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C1	4657.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O)=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C1	4665.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O)=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C1	4680.6	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C2=CC(O)=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C2)C(O)=C1	4639.5	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(O)C=C2O)=CC(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)=C1	4671.0	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4662.5	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4658.7	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4652.9	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4659.3	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4676.1	Semi standard non polar	33892256
(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C3=CC=C(O)C=C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4699.2	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 - (E)-Oxyresveratrol 3'-O-b-D-glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-01q0-7839000000-03a402f3ce651f7052a9	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (E)-Oxyresveratrol 3'-O-b-D-glucoside GC-MS (4 TMS) - 70eV, Positive	splash10-0059-3520009000-f9ca755aaad1a31e4dca	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (E)-Oxyresveratrol 3'-O-b-D-glucoside GC-MS (TMS_4_33) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (E)-Oxyresveratrol 3'-O-b-D-glucoside GC-MS (TMS_5_18) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (E)-Oxyresveratrol 3'-O-b-D-glucoside GC-MS (TMS_5_21) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (E)-Oxyresveratrol 3'-O-b-D-glucoside GC-MS (TMS_6_1) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (E)-Oxyresveratrol 3'-O-b-D-glucoside GC-MS (TMS_6_7) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (E)-Oxyresveratrol 3'-O-b-D-glucoside GC-MS (TBDMS_4_33) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (E)-Oxyresveratrol 3'-O-b-D-glucoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (E)-Oxyresveratrol 3'-O-b-D-glucoside GC-MS ("(E)-Oxyresveratrol 3'-O-b-D-glucoside,4TMS,#33" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (E)-Oxyresveratrol 3'-O-b-D-glucoside 10V, Positive-QTOF	splash10-052b-0292300000-42fd4f653a5d14a301cf	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (E)-Oxyresveratrol 3'-O-b-D-glucoside 20V, Positive-QTOF	splash10-0092-0690000000-0e62e7316c032c409482	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (E)-Oxyresveratrol 3'-O-b-D-glucoside 40V, Positive-QTOF	splash10-00dj-1940000000-9b73883472ff241b32fb	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (E)-Oxyresveratrol 3'-O-b-D-glucoside 10V, Negative-QTOF	splash10-0a4l-0282900000-637ce8db3d11ced4e7e2	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (E)-Oxyresveratrol 3'-O-b-D-glucoside 20V, Negative-QTOF	splash10-0006-0191000000-b82998b2d6b58fe61b5a	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (E)-Oxyresveratrol 3'-O-b-D-glucoside 40V, Negative-QTOF	splash10-0006-2290000000-82e96e61edccf2e752ed	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (E)-Oxyresveratrol 3'-O-b-D-glucoside 10V, Positive-QTOF	splash10-052b-0593700000-c68492d9aa052cc6a725	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (E)-Oxyresveratrol 3'-O-b-D-glucoside 20V, Positive-QTOF	splash10-0002-0392000000-52c0c913bd3a705f27ea	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (E)-Oxyresveratrol 3'-O-b-D-glucoside 40V, Positive-QTOF	splash10-05ot-5494000000-3020f802397c3c8da628	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (E)-Oxyresveratrol 3'-O-b-D-glucoside 10V, Negative-QTOF	splash10-052f-0190700000-e3c6ad8be4abd5143182	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (E)-Oxyresveratrol 3'-O-b-D-glucoside 20V, Negative-QTOF	splash10-0006-0190000000-47ac5521f44bd47fbfe7	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (E)-Oxyresveratrol 3'-O-b-D-glucoside 40V, Negative-QTOF	splash10-0006-0590000000-c16ebf7772d62ca272ed	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

FDB020330

KNApSAcK ID

C00019241

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

131752852

PDB ID

Not Available

ChEBI ID

176004

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 (E)-Oxyresveratrol 3'-O-b-D-glucoside (HMDB0040555)

MOL for HMDB0040555 ((E)-Oxyresveratrol 3'-O-b-D-glucoside)

3D MOL for HMDB0040555 ((E)-Oxyresveratrol 3'-O-b-D-glucoside)

3D SDF for HMDB0040555 ((E)-Oxyresveratrol 3'-O-b-D-glucoside)

3D-SDF for HMDB0040555 ((E)-Oxyresveratrol 3'-O-b-D-glucoside)

PDB for HMDB0040555 ((E)-Oxyresveratrol 3'-O-b-D-glucoside)

3D PDB for HMDB0040555 ((E)-Oxyresveratrol 3'-O-b-D-glucoside)

SMILES for HMDB0040555 ((E)-Oxyresveratrol 3'-O-b-D-glucoside)

INCHI for HMDB0040555 ((E)-Oxyresveratrol 3'-O-b-D-glucoside)

Structure for HMDB0040555 ((E)-Oxyresveratrol 3'-O-b-D-glucoside)

3D Structure for HMDB0040555 ((E)-Oxyresveratrol 3'-O-b-D-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra