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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 21:25:12 UTC

Update Date

2022-03-07 02:54:51 UTC

HMDB ID

HMDB0036294

Secondary Accession Numbers

HMDB36294

Metabolite Identification

Common Name

(E)-2-Glucosyl-3,4',5-trihydroxystilbene

Description

(E)-2-Glucosyl-3,4',5-trihydroxystilbene 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)-2-Glucosyl-3,4',5-trihydroxystilbene has been detected, but not quantified in, alcoholic beverages. This could make (e)-2-glucosyl-3,4',5-trihydroxystilbene a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on (E)-2-Glucosyl-3,4',5-trihydroxystilbene.

Structure

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


  Mrv0541 05061309032D          

 28 30  0  0  0  0            999 V2000
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    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
   -3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    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
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
 10  1  1  0  0  0  0
 10  2  2  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 11  7  2  0  0  0  0
 12  5  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 11  1  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 16  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 14  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 15  1  0  0  0  0
 28 20  1  0  0  0  0
M  END

HMDB0036294
     RDKit          3D
(E)-2-Glucosyl-3,4',5-trihydroxystilbene
 50 52  0  0  0  0  0  0  0  0999 V2000
   -1.7188   -2.2476    2.2616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8220   -1.4749    2.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2620   -0.5484    1.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4070    0.3961    1.1514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3104    0.1181    0.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8994    1.4104   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9634    2.3163   -0.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2086    2.0263    0.1492 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7476    3.5017   -1.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4919    3.7702   -1.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029    4.9591   -2.2070 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5205    2.8857   -1.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3639    1.6186   -0.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5056    0.9467   -0.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0582    0.2465    0.6339 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4737   -0.1977    0.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4356   -0.2212    1.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7226   -0.7292    1.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1100   -1.2192   -0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2579   -1.7625   -0.5673 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0849   -1.1489   -1.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8433   -0.6620   -0.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3090   -1.0058   -0.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9349   -0.6989   -1.8114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7154   -1.6059   -0.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6396   -2.9785   -0.8964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7167   -1.3017    0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4347   -2.4322    0.8078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0233   -3.1365    1.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5383   -0.9249    3.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6323   -2.1634    2.9279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1809   -0.0104    1.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5121   -0.1227    1.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9927    2.6358    0.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5230    4.2263   -1.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4071    5.0488   -3.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5059    3.0824   -1.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3391    1.0150   -1.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6146    0.0319    1.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1790    0.1623    2.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4560   -0.7312    1.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0975   -1.9252   -0.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3368   -1.5205   -2.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0921   -0.6623   -1.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6635   -1.8542   -0.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4112    0.0216   -2.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1294   -1.1809   -1.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2175   -3.2160   -1.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5403   -0.6305   -0.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3411   -2.1066    1.0243 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  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
  5 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27  3  1  0
 13  6  1  0
 22 16  1  0
  1 29  1  0
  2 30  1  0
  2 31  1  0
  3 32  1  0
  5 33  1  0
  8 34  1  0
  9 35  1  0
 11 36  1  0
 12 37  1  0
 14 38  1  0
 15 39  1  0
 17 40  1  0
 18 41  1  0
 20 42  1  0
 21 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
M  END


  Mrv0541 05061309032D          

 28 30  0  0  0  0            999 V2000
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    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
   -3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    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
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
 10  1  1  0  0  0  0
 10  2  2  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 11  7  2  0  0  0  0
 12  5  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 11  1  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 16  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 14  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 15  1  0  0  0  0
 28 20  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0036294

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C=C1\C=C\C1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H22O8/c21-9-15-17(25)18(26)19(27)20(28-15)16-11(7-13(23)8-14(16)24)4-1-10-2-5-12(22)6-3-10/h1-8,15,17-27H,9H2/b4-1+

> <INCHI_KEY>
ISYJYFWUXHMCFY-DAFODLJHSA-N

> <FORMULA>
C20H22O8

> <MOLECULAR_WEIGHT>
390.3839

> <EXACT_MASS>
390.13146768

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
39.82763180968176

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-{2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
0.24

> <JCHEM_LOGP>
0.6450699813333332

> <ALOGPS_LOGS>
-2.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.534945226063128

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.771235563152581

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9791917450140906

> <JCHEM_POLAR_SURFACE_AREA>
150.84

> <JCHEM_REFRACTIVITY>
100.57379999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.02e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0036294
     RDKit          3D
(E)-2-Glucosyl-3,4',5-trihydroxystilbene
 50 52  0  0  0  0  0  0  0  0999 V2000
   -1.7188   -2.2476    2.2616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8220   -1.4749    2.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2620   -0.5484    1.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4070    0.3961    1.1514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3104    0.1181    0.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8994    1.4104   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9634    2.3163   -0.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2086    2.0263    0.1492 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7476    3.5017   -1.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4919    3.7702   -1.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029    4.9591   -2.2070 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5205    2.8857   -1.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3639    1.6186   -0.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5056    0.9467   -0.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0582    0.2465    0.6339 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4737   -0.1977    0.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4356   -0.2212    1.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7226   -0.7292    1.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1100   -1.2192   -0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2579   -1.7625   -0.5673 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0849   -1.1489   -1.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8433   -0.6620   -0.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3090   -1.0058   -0.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9349   -0.6989   -1.8114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7154   -1.6059   -0.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6396   -2.9785   -0.8964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7167   -1.3017    0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4347   -2.4322    0.8078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0233   -3.1365    1.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5383   -0.9249    3.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6323   -2.1634    2.9279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1809   -0.0104    1.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5121   -0.1227    1.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9927    2.6358    0.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5230    4.2263   -1.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4071    5.0488   -3.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5059    3.0824   -1.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3391    1.0150   -1.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6146    0.0319    1.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1790    0.1623    2.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4560   -0.7312    1.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0975   -1.9252   -0.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3368   -1.5205   -2.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0921   -0.6623   -1.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6635   -1.8542   -0.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4112    0.0216   -2.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1294   -1.1809   -1.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2175   -3.2160   -1.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5403   -0.6305   -0.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3411   -2.1066    1.0243 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  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
  5 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27  3  1  0
 13  6  1  0
 22 16  1  0
  1 29  1  0
  2 30  1  0
  2 31  1  0
  3 32  1  0
  5 33  1  0
  8 34  1  0
  9 35  1  0
 11 36  1  0
 12 37  1  0
 14 38  1  0
 15 39  1  0
 17 40  1  0
 18 41  1  0
 20 42  1  0
 21 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
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      -5.335   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.668  -0.770   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      -6.668   3.850   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -6.668  -5.390   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -10.669   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.335   4.620   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      -8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -10.669   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0     -12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0     -12.003   2.310   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -5.335   6.160   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -9.336  -5.390   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0     -13.337   0.000   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0     -13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0     -10.669  -4.620   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -9.336  -0.770   0.000  0.00  0.00           O+0
CONECT    1    4   10                                                       
CONECT    2    5   10                                                       
CONECT    3    6   10                                                       
CONECT    4    1   11                                                       
CONECT    5    2   12                                                       
CONECT    6    3   12                                                       
CONECT    7   11   13                                                       
CONECT    8   13   14                                                       
CONECT    9   15   21                                                       
CONECT   10    1    2    3                                                  
CONECT   11    4    7   16                                                  
CONECT   12    5    6   22                                                  
CONECT   13    7    8   23                                                  
CONECT   14    8   16   24                                                  
CONECT   15    9   17   28                                                  
CONECT   16   11   14   20                                                  
CONECT   17   15   18   25                                                  
CONECT   18   17   19   26                                                  
CONECT   19   18   20   27                                                  
CONECT   20   16   19   28                                                  
CONECT   21    9                                                            
CONECT   22   12                                                            
CONECT   23   13                                                            
CONECT   24   14                                                            
CONECT   25   17                                                            
CONECT   26   18                                                            
CONECT   27   19                                                            
CONECT   28   15   20                                                       
MASTER        0    0    0    0    0    0    0    0   28    0   60    0
END

COMPND    HMDB0036294
HETATM    1  O1  UNL     1      -1.719  -2.248   2.262  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.822  -1.475   2.656  1.00  0.00           C  
HETATM    3  C2  UNL     1      -3.262  -0.548   1.548  1.00  0.00           C  
HETATM    4  O2  UNL     1      -2.407   0.396   1.151  1.00  0.00           O  
HETATM    5  C3  UNL     1      -1.310   0.118   0.440  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.899   1.410  -0.233  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.963   2.316  -0.369  1.00  0.00           C  
HETATM    8  O3  UNL     1      -3.209   2.026   0.149  1.00  0.00           O  
HETATM    9  C6  UNL     1      -1.748   3.502  -1.020  1.00  0.00           C  
HETATM   10  C7  UNL     1      -0.492   3.770  -1.521  1.00  0.00           C  
HETATM   11  O4  UNL     1      -0.303   4.959  -2.207  1.00  0.00           O  
HETATM   12  C8  UNL     1       0.520   2.886  -1.357  1.00  0.00           C  
HETATM   13  C9  UNL     1       0.364   1.619  -0.681  1.00  0.00           C  
HETATM   14  C10 UNL     1       1.506   0.947  -0.307  1.00  0.00           C  
HETATM   15  C11 UNL     1       2.058   0.246   0.634  1.00  0.00           C  
HETATM   16  C12 UNL     1       3.474  -0.198   0.312  1.00  0.00           C  
HETATM   17  C13 UNL     1       4.436  -0.221   1.345  1.00  0.00           C  
HETATM   18  C14 UNL     1       5.723  -0.729   1.088  1.00  0.00           C  
HETATM   19  C15 UNL     1       6.110  -1.219  -0.131  1.00  0.00           C  
HETATM   20  O5  UNL     1       7.258  -1.762  -0.567  1.00  0.00           O  
HETATM   21  C16 UNL     1       5.085  -1.149  -1.112  1.00  0.00           C  
HETATM   22  C17 UNL     1       3.843  -0.662  -0.879  1.00  0.00           C  
HETATM   23  C18 UNL     1      -1.309  -1.006  -0.527  1.00  0.00           C  
HETATM   24  O6  UNL     1      -0.935  -0.699  -1.811  1.00  0.00           O  
HETATM   25  C19 UNL     1      -2.715  -1.606  -0.698  1.00  0.00           C  
HETATM   26  O7  UNL     1      -2.640  -2.978  -0.896  1.00  0.00           O  
HETATM   27  C20 UNL     1      -3.717  -1.302   0.331  1.00  0.00           C  
HETATM   28  O8  UNL     1      -4.435  -2.432   0.808  1.00  0.00           O  
HETATM   29  H1  UNL     1      -2.023  -3.137   1.917  1.00  0.00           H  
HETATM   30  H2  UNL     1      -2.538  -0.925   3.603  1.00  0.00           H  
HETATM   31  H3  UNL     1      -3.632  -2.163   2.928  1.00  0.00           H  
HETATM   32  H4  UNL     1      -4.181  -0.010   1.952  1.00  0.00           H  
HETATM   33  H5  UNL     1      -0.512  -0.123   1.229  1.00  0.00           H  
HETATM   34  H6  UNL     1      -3.993   2.636   0.106  1.00  0.00           H  
HETATM   35  H7  UNL     1      -2.523   4.226  -1.137  1.00  0.00           H  
HETATM   36  H8  UNL     1      -0.407   5.049  -3.219  1.00  0.00           H  
HETATM   37  H9  UNL     1       1.506   3.082  -1.717  1.00  0.00           H  
HETATM   38  H10 UNL     1       2.339   1.015  -1.202  1.00  0.00           H  
HETATM   39  H11 UNL     1       1.615   0.032   1.513  1.00  0.00           H  
HETATM   40  H12 UNL     1       4.179   0.162   2.306  1.00  0.00           H  
HETATM   41  H13 UNL     1       6.456  -0.731   1.894  1.00  0.00           H  
HETATM   42  H14 UNL     1       8.098  -1.925  -0.058  1.00  0.00           H  
HETATM   43  H15 UNL     1       5.337  -1.520  -2.114  1.00  0.00           H  
HETATM   44  H16 UNL     1       3.092  -0.662  -1.706  1.00  0.00           H  
HETATM   45  H17 UNL     1      -0.664  -1.854  -0.225  1.00  0.00           H  
HETATM   46  H18 UNL     1      -0.411   0.022  -2.060  1.00  0.00           H  
HETATM   47  H19 UNL     1      -3.129  -1.181  -1.678  1.00  0.00           H  
HETATM   48  H20 UNL     1      -3.217  -3.216  -1.658  1.00  0.00           H  
HETATM   49  H21 UNL     1      -4.540  -0.630  -0.105  1.00  0.00           H  
HETATM   50  H22 UNL     1      -5.341  -2.107   1.024  1.00  0.00           H  
CONECT    1    2   29
CONECT    2    3   30   31
CONECT    3    4   27   32
CONECT    4    5
CONECT    5    6   23   33
CONECT    6    7    7   13
CONECT    7    8    9
CONECT    8   34
CONECT    9   10   10   35
CONECT   10   11   12
CONECT   11   36
CONECT   12   13   13   37
CONECT   13   14
CONECT   14   15   15   38
CONECT   15   16   39
CONECT   16   17   17   22
CONECT   17   18   40
CONECT   18   19   19   41
CONECT   19   20   21
CONECT   20   42
CONECT   21   22   22   43
CONECT   22   44
CONECT   23   24   25   45
CONECT   24   46
CONECT   25   26   27   47
CONECT   26   48
CONECT   27   28   49
CONECT   28   50
END

HMDB0036294
     RDKit          3D
(E)-2-Glucosyl-3,4',5-trihydroxystilbene
 50 52  0  0  0  0  0  0  0  0999 V2000
   -1.7188   -2.2476    2.2616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8220   -1.4749    2.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2620   -0.5484    1.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4070    0.3961    1.1514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3104    0.1181    0.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8994    1.4104   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9634    2.3163   -0.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2086    2.0263    0.1492 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7476    3.5017   -1.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4919    3.7702   -1.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029    4.9591   -2.2070 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5205    2.8857   -1.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3639    1.6186   -0.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5056    0.9467   -0.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0582    0.2465    0.6339 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4737   -0.1977    0.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4356   -0.2212    1.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7226   -0.7292    1.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1100   -1.2192   -0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2579   -1.7625   -0.5673 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0849   -1.1489   -1.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8433   -0.6620   -0.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3090   -1.0058   -0.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9349   -0.6989   -1.8114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7154   -1.6059   -0.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6396   -2.9785   -0.8964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7167   -1.3017    0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4347   -2.4322    0.8078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0233   -3.1365    1.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5383   -0.9249    3.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6323   -2.1634    2.9279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1809   -0.0104    1.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5121   -0.1227    1.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9927    2.6358    0.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5230    4.2263   -1.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4071    5.0488   -3.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5059    3.0824   -1.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3391    1.0150   -1.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6146    0.0319    1.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1790    0.1623    2.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4560   -0.7312    1.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0975   -1.9252   -0.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3368   -1.5205   -2.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0921   -0.6623   -1.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6635   -1.8542   -0.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4112    0.0216   -2.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1294   -1.1809   -1.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2175   -3.2160   -1.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5403   -0.6305   -0.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3411   -2.1066    1.0243 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  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
  5 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27  3  1  0
 13  6  1  0
 22 16  1  0
  1 29  1  0
  2 30  1  0
  2 31  1  0
  3 32  1  0
  5 33  1  0
  8 34  1  0
  9 35  1  0
 11 36  1  0
 12 37  1  0
 14 38  1  0
 15 39  1  0
 17 40  1  0
 18 41  1  0
 20 42  1  0
 21 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
M  END

View in JSmol View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₀H₂₂O₈

Average Molecular Weight

390.3839

Monoisotopic Molecular Weight

390.13146768

IUPAC Name

2-{2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

2-{2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

Not Available

SMILES

OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C=C1\C=C\C1=CC=C(O)C=C1

InChI Identifier

InChI=1S/C20H22O8/c21-9-15-17(25)18(26)19(27)20(28-15)16-11(7-13(23)8-14(16)24)4-1-10-2-5-12(22)6-3-10/h1-8,15,17-27H,9H2/b4-1+

InChI Key

ISYJYFWUXHMCFY-DAFODLJHSA-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
C-glycosyl compound
Glycosyl compound
Styrene
Resorcinol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Monosaccharide
Oxane
Secondary alcohol
Dialkyl ether
Ether
Oxacycle
Organoheterocyclic compound
Polyol
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Exogenous (HMDB: HMDB36294)

Food

Beverage

Alcoholic beverage

Alcoholic beverages (FooDB: FOOD00854)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.02 g/L	ALOGPS
logP	0.24	ALOGPS
logP	0.65	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	8.77	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	150.84 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	100.57 m³·mol⁻¹	ChemAxon
Polarizability	39.83 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]+	192.57	30932474
DeepCCS	[M-H]-	190.212	30932474
DeepCCS	[M-2H]-	224.206	30932474
DeepCCS	[M+Na]+	199.434	30932474
AllCCS	[M+H]+	196.1	32859911
AllCCS	[M+H-H2O]+	193.2	32859911
AllCCS	[M+NH4]+	198.8	32859911
AllCCS	[M+Na]+	199.5	32859911
AllCCS	[M-H]-	192.4	32859911
AllCCS	[M+Na-2H]-	192.8	32859911
AllCCS	[M+HCOO]-	193.4	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022.	3.24 minutes	32390414
Predicted by Siyang on May 30, 2022	10.1443 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	4.85 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	146.7 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	1305.8 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	180.6 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	105.4 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	153.9 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	83.4 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	360.8 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	337.4 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	591.8 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	643.2 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	282.6 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	1062.8 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	212.1 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	235.8 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	369.3 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	306.0 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	115.3 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(E)-2-Glucosyl-3,4',5-trihydroxystilbene	OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C=C1\C=C\C1=CC=C(O)C=C1	6344.7	Standard polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene	OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C=C1\C=C\C1=CC=C(O)C=C1	3795.4	Standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene	OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C=C1\C=C\C1=CC=C(O)C=C1	4184.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,1TMS,isomer #1	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O	3900.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,1TMS,isomer #2	C[Si](C)(C)OC1C(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)OC(CO)C(O)C1O	3907.4	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,1TMS,isomer #3	C[Si](C)(C)OC1C(O)C(CO)OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C1O	3922.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,1TMS,isomer #4	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C1O	3912.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,1TMS,isomer #5	C[Si](C)(C)OC1=CC(O)=CC(/C=C/C2=CC=C(O)C=C2)=C1C1OC(CO)C(O)C(O)C1O	3923.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,1TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O)C2O)C(/C=C/C2=CC=C(O)C=C2)=C1	3969.1	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,1TMS,isomer #7	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O)=C2C2OC(CO)C(O)C(O)C2O)C=C1	3989.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TMS,isomer #1	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O	3869.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TMS,isomer #10	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C1O	3858.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TMS,isomer #11	C[Si](C)(C)OC1C(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)OC(CO)C(O)C1O[Si](C)(C)C	3876.4	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TMS,isomer #12	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C1O[Si](C)(C)C	3862.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=CC(/C=C/C2=CC=C(O)C=C2)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	3854.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(/C=C/C2=CC=C(O)C=C2)=C1	3880.8	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TMS,isomer #15	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O)=C2C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C1	3862.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TMS,isomer #16	C[Si](C)(C)OC1=CC(O)=CC(/C=C/C2=CC=C(O)C=C2)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	3854.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(/C=C/C2=CC=C(O)C=C2)=C1	3879.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TMS,isomer #18	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O)=C2C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C1	3859.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TMS,isomer #19	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=C(C2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)=C1	3906.8	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TMS,isomer #2	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O	3896.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TMS,isomer #20	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[Si](C)(C)C)=C2C2OC(CO)C(O)C(O)C2O)C=C1	3908.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TMS,isomer #21	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C)=CC(O)=C2C2OC(CO)C(O)C(O)C2O)C=C1	3948.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TMS,isomer #3	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O)C1O	3880.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TMS,isomer #4	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O	3877.7	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TMS,isomer #5	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O	3874.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TMS,isomer #6	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C	3869.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=CC(/C=C/C2=CC=C(O)C=C2)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	3858.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TMS,isomer #8	C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(/C=C/C2=CC=C(O)C=C2)=C1	3896.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TMS,isomer #9	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O)=C2C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C1	3873.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #1	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O)C1O	3776.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #10	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O)C1O	3774.8	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #11	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O[Si](C)(C)C)C1O	3778.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #12	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O)C1O[Si](C)(C)C	3783.4	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #13	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3789.8	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #14	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3792.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #15	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3803.7	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #16	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3765.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #17	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[Si](C)(C)C)=C2C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C1	3764.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=CC(/C=C/C2=CC=C(O)C=C2)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3761.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=CC(/C=C/C2=CC=C(O)C=C2)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3768.1	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #2	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O	3773.1	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(/C=C/C2=CC=C(O)C=C2)=C1	3789.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(/C=C/C2=CC=C(O)C=C2)=C1	3800.4	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #22	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C)=CC(O)=C2C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C1	3787.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #23	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O)=C2C2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1	3774.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #24	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O)=C2C2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	3790.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #25	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3800.4	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #26	C[Si](C)(C)OC1=CC(O)=CC(/C=C/C2=CC=C(O)C=C2)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3768.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #27	C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(/C=C/C2=CC=C(O)C=C2)=C1	3792.8	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #28	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O)=C2C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1	3785.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #29	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C1	3745.4	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #3	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O	3765.4	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #30	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[Si](C)(C)C)=C2C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C1	3755.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #31	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C)=CC(O)=C2C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C1	3776.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #32	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=C1	3760.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #33	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[Si](C)(C)C)=C2C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C1	3761.7	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #34	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C)=CC(O)=C2C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C1	3783.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #35	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C2OC(CO)C(O)C(O)C2O)C=C1	3814.4	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #4	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O	3769.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #5	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C	3776.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #6	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O)C1O	3813.7	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #7	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O	3792.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #8	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O	3792.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TMS,isomer #9	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C	3793.4	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #1	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O)C1O	3709.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #10	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3718.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #11	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O)C1O	3716.8	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #12	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O[Si](C)(C)C)C1O	3724.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #13	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O)C1O[Si](C)(C)C	3737.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #14	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3730.4	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #15	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3745.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #16	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3744.4	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #17	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3732.8	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #18	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3741.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #19	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3749.4	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #2	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O)C1O	3679.4	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #20	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3769.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #21	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C1	3697.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #22	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3676.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #23	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3669.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #24	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[Si](C)(C)C)=C2C2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1	3690.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #25	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[Si](C)(C)C)=C2C2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	3691.1	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #26	C[Si](C)(C)OC1=CC(O)=CC(/C=C/C2=CC=C(O)C=C2)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3710.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #27	C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(/C=C/C2=CC=C(O)C=C2)=C1	3749.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #28	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C)=CC(O)=C2C2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1	3727.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #29	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C)=CC(O)=C2C2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	3727.8	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #3	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O[Si](C)(C)C)C1O	3692.8	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #30	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O)=C2C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	3756.8	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #31	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C1	3680.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #32	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[Si](C)(C)C)=C2C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1	3701.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #33	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C)=CC(O)=C2C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1	3724.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #34	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C1	3708.8	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #35	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C1	3699.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #4	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O)C1O[Si](C)(C)C	3709.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #5	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O	3676.4	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #6	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O	3674.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #7	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C	3701.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #8	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3690.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TMS,isomer #9	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3710.4	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,5TMS,isomer #1	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O)C1O	3642.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,5TMS,isomer #10	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3685.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,5TMS,isomer #11	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3671.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,5TMS,isomer #12	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3691.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,5TMS,isomer #13	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3680.1	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,5TMS,isomer #14	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3722.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,5TMS,isomer #15	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3724.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,5TMS,isomer #16	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1	3645.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,5TMS,isomer #17	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	3631.1	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,5TMS,isomer #18	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3626.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,5TMS,isomer #19	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[Si](C)(C)C)=C2C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	3650.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,5TMS,isomer #2	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O[Si](C)(C)C)C1O	3668.8	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,5TMS,isomer #20	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C)=CC(O)=C2C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	3689.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,5TMS,isomer #21	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1	3641.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,5TMS,isomer #3	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O)C1O[Si](C)(C)C	3668.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,5TMS,isomer #4	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3629.7	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,5TMS,isomer #5	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3651.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,5TMS,isomer #6	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3657.8	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,5TMS,isomer #7	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3610.8	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,5TMS,isomer #8	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3637.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,5TMS,isomer #9	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3634.7	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,6TMS,isomer #1	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3614.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,6TMS,isomer #2	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3627.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,6TMS,isomer #3	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3632.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,6TMS,isomer #4	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3638.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,6TMS,isomer #5	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3647.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,6TMS,isomer #6	C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3669.7	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,6TMS,isomer #7	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	3604.8	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,7TMS,isomer #1	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C2/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3646.7	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O	4162.7	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)OC(CO)C(O)C1O	4188.7	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C1O	4192.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C1O	4181.1	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(/C=C/C2=CC=C(O)C=C2)=C1C1OC(CO)C(O)C(O)C1O	4183.7	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O)C2O)C(/C=C/C2=CC=C(O)C=C2)=C1	4217.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O)=C2C2OC(CO)C(O)C(O)C2O)C=C1	4245.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O	4350.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C1O	4333.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4336.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C1O[Si](C)(C)C(C)(C)C	4330.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(/C=C/C2=CC=C(O)C=C2)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4317.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(/C=C/C2=CC=C(O)C=C2)=C1	4354.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O)=C2C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1	4353.1	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(/C=C/C2=CC=C(O)C=C2)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4322.4	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(/C=C/C2=CC=C(O)C=C2)=C1	4349.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O)=C2C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1	4350.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=C(C2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=C1	4383.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O	4378.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C2OC(CO)C(O)C(O)C2O)C=C1	4404.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C2C2OC(CO)C(O)C(O)C2O)C=C1	4456.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(O)C(O)C1O	4371.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4354.7	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4358.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4329.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(/C=C/C2=CC=C(O)C=C2)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4347.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(/C=C/C2=CC=C(O)C=C2)=C1	4383.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O)=C2C2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1	4382.1	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(O)C(O)C1O	4494.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4471.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4478.8	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4458.1	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4462.7	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4474.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4472.7	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4470.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1	4490.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(/C=C/C2=CC=C(O)C=C2)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4431.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(/C=C/C2=CC=C(O)C=C2)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4430.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O	4466.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(/C=C/C2=CC=C(O)C=C2)=C1	4470.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(/C=C/C2=CC=C(O)C=C2)=C1	4473.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C2C2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1	4531.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O)=C2C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1	4467.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O)=C2C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1	4470.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4465.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(/C=C/C2=CC=C(O)C=C2)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4428.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(/C=C/C2=CC=C(O)C=C2)=C1	4465.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O)=C2C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1	4462.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)=C1	4446.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4440.7	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1	4463.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C2C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1	4502.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=C1	4442.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1	4463.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C2C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1	4507.7	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2C2OC(CO)C(O)C(O)C2O)C=C1	4576.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4446.7	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4434.8	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C2/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(O)C(O)C1O	4542.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4480.4	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4485.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4461.7	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C2/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(O)C(O)C1O	4627.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4549.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C2/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4605.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C2/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4636.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C2/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4603.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4575.1	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4584.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4585.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(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	4568.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(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	4575.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(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	4573.4	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4559.1	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C=C2/C=C/C2=CC=C(O)C=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	4586.7	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2C2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1	4644.1	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4545.1	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4555.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1	4568.5	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1	4576.7	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(/C=C/C2=CC=C(O)C=C2)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4545.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(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(/C=C/C2=CC=C(O)C=C2)=C1	4585.0	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C2C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1	4614.7	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C2C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1	4622.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4601.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O)=C2C2OC(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=C1	4584.2	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)=C1	4557.4	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1	4580.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C2C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1	4619.8	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1	4662.9	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1	4625.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4562.1	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4541.1	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4574.3	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C2/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4545.6	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4531.4	Semi standard non polar	33892256
(E)-2-Glucosyl-3,4',5-trihydroxystilbene,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C2/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4547.6	Semi standard non polar	33892256

Spectra

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

FDB015160

KNApSAcK ID

Not Available

Chemspider ID

35014113

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

13851701

PDB ID

Not Available

ChEBI ID

175956

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)-2-Glucosyl-3,4',5-trihydroxystilbene (HMDB0036294)

MOL for HMDB0036294 ((E)-2-Glucosyl-3,4',5-trihydroxystilbene)

3D MOL for HMDB0036294 ((E)-2-Glucosyl-3,4',5-trihydroxystilbene)

3D SDF for HMDB0036294 ((E)-2-Glucosyl-3,4',5-trihydroxystilbene)

3D-SDF for HMDB0036294 ((E)-2-Glucosyl-3,4',5-trihydroxystilbene)

PDB for HMDB0036294 ((E)-2-Glucosyl-3,4',5-trihydroxystilbene)

3D PDB for HMDB0036294 ((E)-2-Glucosyl-3,4',5-trihydroxystilbene)

SMILES for HMDB0036294 ((E)-2-Glucosyl-3,4',5-trihydroxystilbene)

INCHI for HMDB0036294 ((E)-2-Glucosyl-3,4',5-trihydroxystilbene)

Structure for HMDB0036294 ((E)-2-Glucosyl-3,4',5-trihydroxystilbene)

3D Structure for HMDB0036294 ((E)-2-Glucosyl-3,4',5-trihydroxystilbene)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized