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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:02:48 UTC

Update Date

2022-03-07 02:55:53 UTC

HMDB ID

HMDB0038710

Secondary Accession Numbers

HMDB38710

Metabolite Identification

Common Name

(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside

Description

(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety (7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside has been detected, but not quantified in, alcoholic beverages. This could make (7'r,8'r)-4,7'-epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on (7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside.

Structure

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


  Mrv0541 05061310362D          

 36 39  0  0  0  0            999 V2000
   -3.9284    0.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 36 24  1  0  0  0  0
M  END

HMDB0038710
     RDKit          3D
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside
 68 71  0  0  0  0  0  0  0  0999 V2000
    2.4601    4.3093    2.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv0541 05061310362D          

 36 39  0  0  0  0            999 V2000
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 33  1  1  0  0  0  0
 33 18  1  0  0  0  0
 34 11  1  0  0  0  0
 34 25  1  0  0  0  0
 35 19  1  0  0  0  0
 35 25  1  0  0  0  0
 36 23  1  0  0  0  0
 36 24  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038710

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(O)C=CC(=C1)C1OC2=C(C=C(CCCO)C=C2O)C1COC1OC(CO)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C25H32O11/c1-33-18-9-13(4-5-16(18)28)23-15(11-34-25-22(32)21(31)20(30)19(10-27)35-25)14-7-12(3-2-6-26)8-17(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3

> <INCHI_KEY>
IZPTZYWDXAUURH-UHFFFAOYSA-N

> <FORMULA>
C25H32O11

> <MOLECULAR_WEIGHT>
508.515

> <EXACT_MASS>
508.194461866

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
52.54703425798637

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-3-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
0.46

> <JCHEM_LOGP>
0.039796728666667

> <ALOGPS_LOGS>
-3.01

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.244999383759959

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.642315277420844

> <JCHEM_PKA_STRONGEST_BASIC>
-2.3774160818141397

> <JCHEM_POLAR_SURFACE_AREA>
178.52999999999997

> <JCHEM_REFRACTIVITY>
125.42529999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.97e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-3-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0038710
     RDKit          3D
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside
 68 71  0  0  0  0  0  0  0  0999 V2000
    2.4601    4.3093    2.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2591    4.9562    1.8436 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1017    4.1988    1.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2509    2.8340    1.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8270    2.0664    1.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6363    0.5541    1.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8509    0.0372    1.6669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7134   -0.4282    0.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0192   -0.8318    0.7962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7227   -0.8408    1.9830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6702   -1.2603   -0.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9754   -1.2580   -1.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7283   -1.7394   -2.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5096   -3.2246   -2.8703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9893   -3.9722   -1.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7950   -5.3430   -1.8283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6729   -0.8535   -1.6672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0244   -0.4233   -0.5018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6129    0.0902   -0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3030   -1.0024   -0.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6090   -0.9478   -0.6459 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4123   -0.9320    0.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0580    0.2831    0.5703 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    0.2218    0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1140    1.5553    0.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8755    2.0402    1.8184 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7978   -0.5257   -0.8638 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9945   -0.1713   -1.9361 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4730   -1.9861   -0.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6158   -2.6487   -0.1213 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3786   -2.1190    0.4375 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8085   -2.3688    1.7310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0473    2.6282    0.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2363    4.0157    0.9975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1234    4.7927    1.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2650    6.1753    1.3805 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1960    3.5024    2.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1601    4.9968    2.7165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9081    3.8367    1.2801 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    2.3212    1.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2145    0.2996    1.7032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6855   -1.1407    2.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7070   -1.6027   -0.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8045   -1.5333   -2.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3601   -1.1892   -3.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4086   -3.4404   -2.9636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9846   -3.5785   -3.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0391   -3.7431   -1.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3031   -3.6857   -0.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7808   -5.5875   -2.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1609   -0.8588   -2.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4945    0.9857   -1.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1346   -1.9409   -0.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0284   -1.2034   -1.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8264   -1.0455    1.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8231   -0.3760    1.2632 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2040    1.3384    0.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8013    2.3107   -0.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3630    1.4662    2.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8742   -0.3605   -1.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5037   -0.0407   -2.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1721   -2.5060   -1.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3072   -3.2742    0.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8039   -3.0545    0.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3091   -1.8151    2.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9085    2.0407    0.7046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1970    4.4464    0.8024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2255    6.5502    1.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 12 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
  5 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 35  3  1  0
 19  6  1  0
 31 22  1  0
 18  8  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  4 40  1  0
  6 41  1  0
 10 42  1  0
 11 43  1  0
 13 44  1  0
 13 45  1  0
 14 46  1  0
 14 47  1  0
 15 48  1  0
 15 49  1  0
 16 50  1  0
 17 51  1  0
 19 52  1  0
 20 53  1  0
 20 54  1  0
 22 55  1  0
 24 56  1  0
 25 57  1  0
 25 58  1  0
 26 59  1  0
 27 60  1  0
 28 61  1  0
 29 62  1  0
 30 63  1  0
 31 64  1  0
 32 65  1  0
 33 66  1  0
 34 67  1  0
 36 68  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      -7.333   0.175   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.531   2.073   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.198   1.303   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.483   4.176   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.023   4.176   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.865   1.303   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.530   1.303   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.864   3.613   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.483   1.509   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -6.215  -3.757   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.744   0.132   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.864   2.073   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.713   2.843   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.197   2.073   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.268   1.597   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -5.793   2.843   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.530   4.383   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.023   1.509   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.708  -3.437   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.678  -4.582   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.171  -4.262   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.695  -2.797   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.173   2.843   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.197   3.613   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.726  -1.653   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       9.199   2.073   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -6.691  -5.222   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -7.333   2.843   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       2.530   5.923   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -4.154  -6.046   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -1.141  -5.406   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -0.189  -2.477   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -5.793   0.175   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -2.250  -0.188   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -4.232  -1.973   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -0.268   4.089   0.000  0.00  0.00           O+0
CONECT    1   33                                                            
CONECT    2    3    6                                                       
CONECT    3    2   12                                                       
CONECT    4    5   13                                                       
CONECT    5    4   16                                                       
CONECT    6    2   26                                                       
CONECT    7   12   14                                                       
CONECT    8   12   17                                                       
CONECT    9   13   18                                                       
CONECT   10   19   27                                                       
CONECT   11   15   34                                                       
CONECT   12    3    7    8                                                  
CONECT   13    4    9   23                                                  
CONECT   14    7   15   24                                                  
CONECT   15   11   14   23                                                  
CONECT   16    5   18   28                                                  
CONECT   17    8   24   29                                                  
CONECT   18    9   16   33                                                  
CONECT   19   10   20   35                                                  
CONECT   20   19   21   30                                                  
CONECT   21   20   22   31                                                  
CONECT   22   21   25   32                                                  
CONECT   23   13   15   36                                                  
CONECT   24   14   17   36                                                  
CONECT   25   22   34   35                                                  
CONECT   26    6                                                            
CONECT   27   10                                                            
CONECT   28   16                                                            
CONECT   29   17                                                            
CONECT   30   20                                                            
CONECT   31   21                                                            
CONECT   32   22                                                            
CONECT   33    1   18                                                       
CONECT   34   11   25                                                       
CONECT   35   19   25                                                       
CONECT   36   23   24                                                       
MASTER        0    0    0    0    0    0    0    0   36    0   78    0
END

COMPND    HMDB0038710
HETATM    1  C1  UNL     1       2.460   4.309   2.170  1.00  0.00           C  
HETATM    2  O1  UNL     1       1.259   4.956   1.844  1.00  0.00           O  
HETATM    3  C2  UNL     1       0.102   4.199   1.535  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.251   2.834   1.469  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.827   2.066   1.167  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.636   0.554   1.078  1.00  0.00           C  
HETATM    7  O2  UNL     1      -1.851   0.037   1.667  1.00  0.00           O  
HETATM    8  C6  UNL     1      -2.713  -0.428   0.674  1.00  0.00           C  
HETATM    9  C7  UNL     1      -4.019  -0.832   0.796  1.00  0.00           C  
HETATM   10  O3  UNL     1      -4.723  -0.841   1.983  1.00  0.00           O  
HETATM   11  C8  UNL     1      -4.670  -1.260  -0.351  1.00  0.00           C  
HETATM   12  C9  UNL     1      -3.975  -1.258  -1.542  1.00  0.00           C  
HETATM   13  C10 UNL     1      -4.728  -1.739  -2.746  1.00  0.00           C  
HETATM   14  C11 UNL     1      -4.510  -3.225  -2.870  1.00  0.00           C  
HETATM   15  C12 UNL     1      -4.989  -3.972  -1.660  1.00  0.00           C  
HETATM   16  O4  UNL     1      -4.795  -5.343  -1.828  1.00  0.00           O  
HETATM   17  C13 UNL     1      -2.673  -0.854  -1.667  1.00  0.00           C  
HETATM   18  C14 UNL     1      -2.024  -0.423  -0.502  1.00  0.00           C  
HETATM   19  C15 UNL     1      -0.613   0.090  -0.299  1.00  0.00           C  
HETATM   20  C16 UNL     1       0.303  -1.002  -0.716  1.00  0.00           C  
HETATM   21  O5  UNL     1       1.609  -0.948  -0.646  1.00  0.00           O  
HETATM   22  C17 UNL     1       2.412  -0.932   0.436  1.00  0.00           C  
HETATM   23  O6  UNL     1       3.058   0.283   0.570  1.00  0.00           O  
HETATM   24  C18 UNL     1       4.403   0.222   0.400  1.00  0.00           C  
HETATM   25  C19 UNL     1       5.114   1.555   0.512  1.00  0.00           C  
HETATM   26  O7  UNL     1       4.875   2.040   1.818  1.00  0.00           O  
HETATM   27  C20 UNL     1       4.798  -0.526  -0.864  1.00  0.00           C  
HETATM   28  O8  UNL     1       3.995  -0.171  -1.936  1.00  0.00           O  
HETATM   29  C21 UNL     1       4.473  -1.986  -0.575  1.00  0.00           C  
HETATM   30  O9  UNL     1       5.616  -2.649  -0.121  1.00  0.00           O  
HETATM   31  C22 UNL     1       3.379  -2.119   0.437  1.00  0.00           C  
HETATM   32  O10 UNL     1       3.809  -2.369   1.731  1.00  0.00           O  
HETATM   33  C23 UNL     1      -2.047   2.628   0.934  1.00  0.00           C  
HETATM   34  C24 UNL     1      -2.236   4.016   0.997  1.00  0.00           C  
HETATM   35  C25 UNL     1      -1.123   4.793   1.307  1.00  0.00           C  
HETATM   36  O11 UNL     1      -1.265   6.175   1.381  1.00  0.00           O  
HETATM   37  H1  UNL     1       2.196   3.502   2.894  1.00  0.00           H  
HETATM   38  H2  UNL     1       3.160   4.997   2.716  1.00  0.00           H  
HETATM   39  H3  UNL     1       2.908   3.837   1.280  1.00  0.00           H  
HETATM   40  H4  UNL     1       1.204   2.321   1.640  1.00  0.00           H  
HETATM   41  H5  UNL     1       0.215   0.300   1.703  1.00  0.00           H  
HETATM   42  H6  UNL     1      -5.686  -1.141   2.027  1.00  0.00           H  
HETATM   43  H7  UNL     1      -5.707  -1.603  -0.334  1.00  0.00           H  
HETATM   44  H8  UNL     1      -5.805  -1.533  -2.600  1.00  0.00           H  
HETATM   45  H9  UNL     1      -4.360  -1.189  -3.640  1.00  0.00           H  
HETATM   46  H10 UNL     1      -3.409  -3.440  -2.964  1.00  0.00           H  
HETATM   47  H11 UNL     1      -4.985  -3.579  -3.797  1.00  0.00           H  
HETATM   48  H12 UNL     1      -6.039  -3.743  -1.398  1.00  0.00           H  
HETATM   49  H13 UNL     1      -4.303  -3.686  -0.812  1.00  0.00           H  
HETATM   50  H14 UNL     1      -4.781  -5.587  -2.790  1.00  0.00           H  
HETATM   51  H15 UNL     1      -2.161  -0.859  -2.611  1.00  0.00           H  
HETATM   52  H16 UNL     1      -0.495   0.986  -1.018  1.00  0.00           H  
HETATM   53  H17 UNL     1      -0.135  -1.941  -0.191  1.00  0.00           H  
HETATM   54  H18 UNL     1       0.028  -1.203  -1.830  1.00  0.00           H  
HETATM   55  H19 UNL     1       1.826  -1.045   1.413  1.00  0.00           H  
HETATM   56  H20 UNL     1       4.823  -0.376   1.263  1.00  0.00           H  
HETATM   57  H21 UNL     1       6.204   1.338   0.479  1.00  0.00           H  
HETATM   58  H22 UNL     1       4.801   2.311  -0.200  1.00  0.00           H  
HETATM   59  H23 UNL     1       5.363   1.466   2.482  1.00  0.00           H  
HETATM   60  H24 UNL     1       5.874  -0.361  -1.066  1.00  0.00           H  
HETATM   61  H25 UNL     1       4.504  -0.041  -2.780  1.00  0.00           H  
HETATM   62  H26 UNL     1       4.172  -2.506  -1.512  1.00  0.00           H  
HETATM   63  H27 UNL     1       5.307  -3.274   0.605  1.00  0.00           H  
HETATM   64  H28 UNL     1       2.804  -3.054   0.150  1.00  0.00           H  
HETATM   65  H29 UNL     1       3.309  -1.815   2.394  1.00  0.00           H  
HETATM   66  H30 UNL     1      -2.908   2.041   0.705  1.00  0.00           H  
HETATM   67  H31 UNL     1      -3.197   4.446   0.802  1.00  0.00           H  
HETATM   68  H32 UNL     1      -2.225   6.550   1.227  1.00  0.00           H  
CONECT    1    2   37   38   39
CONECT    2    3
CONECT    3    4    4   35
CONECT    4    5   40
CONECT    5    6   33   33
CONECT    6    7   19   41
CONECT    7    8
CONECT    8    9    9   18
CONECT    9   10   11
CONECT   10   42
CONECT   11   12   12   43
CONECT   12   13   17
CONECT   13   14   44   45
CONECT   14   15   46   47
CONECT   15   16   48   49
CONECT   16   50
CONECT   17   18   18   51
CONECT   18   19
CONECT   19   20   52
CONECT   20   21   53   54
CONECT   21   22
CONECT   22   23   31   55
CONECT   23   24
CONECT   24   25   27   56
CONECT   25   26   57   58
CONECT   26   59
CONECT   27   28   29   60
CONECT   28   61
CONECT   29   30   31   62
CONECT   30   63
CONECT   31   32   64
CONECT   32   65
CONECT   33   34   66
CONECT   34   35   35   67
CONECT   35   36
CONECT   36   68
END

HMDB0038710
     RDKit          3D
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside
 68 71  0  0  0  0  0  0  0  0999 V2000
    2.4601    4.3093    2.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2591    4.9562    1.8436 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1017    4.1988    1.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2509    2.8340    1.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8270    2.0664    1.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6363    0.5541    1.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8509    0.0372    1.6669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7134   -0.4282    0.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0192   -0.8318    0.7962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7227   -0.8408    1.9830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6702   -1.2603   -0.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9754   -1.2580   -1.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7283   -1.7394   -2.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5096   -3.2246   -2.8703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9893   -3.9722   -1.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7950   -5.3430   -1.8283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6729   -0.8535   -1.6672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0244   -0.4233   -0.5018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6129    0.0902   -0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3030   -1.0024   -0.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6090   -0.9478   -0.6459 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4123   -0.9320    0.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0580    0.2831    0.5703 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    0.2218    0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1140    1.5553    0.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8755    2.0402    1.8184 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7978   -0.5257   -0.8638 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9945   -0.1713   -1.9361 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4730   -1.9861   -0.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6158   -2.6487   -0.1213 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3786   -2.1190    0.4375 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8085   -2.3688    1.7310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0473    2.6282    0.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2363    4.0157    0.9975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1234    4.7927    1.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2650    6.1753    1.3805 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1960    3.5024    2.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1601    4.9968    2.7165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9081    3.8367    1.2801 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    2.3212    1.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2145    0.2996    1.7032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6855   -1.1407    2.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7070   -1.6027   -0.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8045   -1.5333   -2.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3601   -1.1892   -3.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4086   -3.4404   -2.9636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9846   -3.5785   -3.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0391   -3.7431   -1.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3031   -3.6857   -0.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7808   -5.5875   -2.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1609   -0.8588   -2.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4945    0.9857   -1.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1346   -1.9409   -0.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0284   -1.2034   -1.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8264   -1.0455    1.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8231   -0.3760    1.2632 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2040    1.3384    0.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8013    2.3107   -0.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3630    1.4662    2.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8742   -0.3605   -1.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5037   -0.0407   -2.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1721   -2.5060   -1.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3072   -3.2742    0.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8039   -3.0545    0.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3091   -1.8151    2.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9085    2.0407    0.7046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1970    4.4464    0.8024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2255    6.5502    1.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 12 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
  5 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 35  3  1  0
 19  6  1  0
 31 22  1  0
 18  8  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  4 40  1  0
  6 41  1  0
 10 42  1  0
 11 43  1  0
 13 44  1  0
 13 45  1  0
 14 46  1  0
 14 47  1  0
 15 48  1  0
 15 49  1  0
 16 50  1  0
 17 51  1  0
 19 52  1  0
 20 53  1  0
 20 54  1  0
 22 55  1  0
 24 56  1  0
 25 57  1  0
 25 58  1  0
 26 59  1  0
 27 60  1  0
 28 61  1  0
 29 62  1  0
 30 63  1  0
 31 64  1  0
 32 65  1  0
 33 66  1  0
 34 67  1  0
 36 68  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₅H₃₂O₁₁

Average Molecular Weight

508.515

Monoisotopic Molecular Weight

508.194461866

IUPAC Name

2-{[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-3-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

2-{[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-3-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

Not Available

SMILES

COC1=C(O)C=CC(=C1)C1OC2=C(C=C(CCCO)C=C2O)C1COC1OC(CO)C(O)C(O)C1O

InChI Identifier

InChI=1S/C25H32O11/c1-33-18-9-13(4-5-16(18)28)23-15(11-34-25-22(32)21(31)20(30)19(10-27)35-25)14-7-12(3-2-6-26)8-17(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3

InChI Key

IZPTZYWDXAUURH-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

2-arylbenzofuran flavonoids

Sub Class

Not Available

Direct Parent

2-arylbenzofuran flavonoids

Alternative Parents

Substituents

2-arylbenzofuran flavonoid
Lignan glycoside
Neolignan skeleton
Norlignan skeleton
Hexose monosaccharide
O-glycosyl compound
Glycosyl compound
Methoxyphenol
Coumaran
Benzofuran
Methoxybenzene
Phenoxy compound
Phenol ether
Anisole
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Oxane
Monosaccharide
Secondary alcohol
Organoheterocyclic compound
Ether
Oxacycle
Acetal
Polyol
Primary alcohol
Alcohol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0038710)
Cytoplasm (HMDB: HMDB0038710)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0038710)

Source

Exogenous

Food

Food (HMDB: HMDB0038710)

Beverage

Alcoholic beverage

Alcoholic beverages (FooDB: FOOD00854)

Endogenous

Plant

Plant (HMDB: HMDB0038710)

Not Available

Nutrient (HMDB: HMDB0038710)

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	0.5 g/L	ALOGPS
logP	0.46	ALOGPS
logP	0.04	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	9.64	ChemAxon
pKa (Strongest Basic)	-2.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	178.53 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	125.43 m³·mol⁻¹	ChemAxon
Polarizability	52.55 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	213.841	31661259
DarkChem	[M-H]-	211.635	31661259
DeepCCS	[M+H]+	214.158	30932474
DeepCCS	[M-H]-	211.763	30932474
DeepCCS	[M-2H]-	244.646	30932474
DeepCCS	[M+Na]+	220.071	30932474
AllCCS	[M+H]+	218.5	32859911
AllCCS	[M+H-H2O]+	216.7	32859911
AllCCS	[M+NH4]+	220.2	32859911
AllCCS	[M+Na]+	220.7	32859911
AllCCS	[M-H]-	214.4	32859911
AllCCS	[M+Na-2H]-	215.9	32859911
AllCCS	[M+HCOO]-	217.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside	COC1=C(O)C=CC(=C1)C1OC2=C(C=C(CCCO)C=C2O)C1COC1OC(CO)C(O)C(O)C1O	4734.0	Standard polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside	COC1=C(O)C=CC(=C1)C1OC2=C(C=C(CCCO)C=C2O)C1COC1OC(CO)C(O)C(O)C1O	4287.8	Standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside	COC1=C(O)C=CC(=C1)C1OC2=C(C=C(CCCO)C=C2O)C1COC1OC(CO)C(O)C(O)C1O	4490.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,1TMS,isomer #1	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C	4482.8	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,1TMS,isomer #2	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O)C(O)C2O)=CC=C1O	4441.0	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,1TMS,isomer #3	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O)C2O)=CC=C1O	4462.0	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,1TMS,isomer #4	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O	4461.7	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,1TMS,isomer #5	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	4438.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,1TMS,isomer #6	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	4421.9	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,1TMS,isomer #7	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	4424.2	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TMS,isomer #1	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C	4373.8	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TMS,isomer #10	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	4219.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TMS,isomer #11	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	4232.7	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TMS,isomer #12	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O	4319.9	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TMS,isomer #13	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	4305.0	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TMS,isomer #14	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	4261.3	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TMS,isomer #15	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	4277.7	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TMS,isomer #16	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	4316.4	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TMS,isomer #17	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	4284.0	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TMS,isomer #18	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	4301.1	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TMS,isomer #19	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	4269.3	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TMS,isomer #2	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C	4309.4	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TMS,isomer #20	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	4272.7	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TMS,isomer #21	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4279.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TMS,isomer #3	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C	4344.7	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TMS,isomer #4	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C	4335.0	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TMS,isomer #5	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	4300.2	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TMS,isomer #6	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	4310.9	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TMS,isomer #7	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O)C(O)C2O)=CC=C1O	4295.4	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TMS,isomer #8	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O	4272.8	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TMS,isomer #9	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	4254.3	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #1	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C	4213.5	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #10	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C	4227.4	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #11	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	4189.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #12	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	4213.4	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #13	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	4191.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #14	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	4204.4	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #15	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	4203.1	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #16	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O	4140.1	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #17	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	4140.4	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #18	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	4096.5	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #19	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	4110.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #2	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C	4243.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #20	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	4151.1	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #21	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	4106.9	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #22	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	4133.3	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #23	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	4097.5	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #24	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	4118.5	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #25	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4106.4	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #26	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	4189.8	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #27	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	4148.1	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #28	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	4174.2	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #29	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	4147.4	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #3	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C	4246.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #30	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	4159.0	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #31	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4155.8	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #32	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	4184.0	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #33	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	4247.7	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #34	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4187.0	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #35	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4176.7	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #4	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	4190.5	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #5	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	4213.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #6	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C	4174.5	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #7	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C	4175.0	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #8	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	4134.7	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TMS,isomer #9	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	4148.8	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #1	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C	4083.0	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #10	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	4101.3	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #11	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C	4092.5	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #12	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	4051.7	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #13	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	4077.0	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #14	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	4040.5	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #15	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	4060.4	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #16	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	4050.2	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #17	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	4129.8	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #18	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	4197.7	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #19	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	4134.2	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #2	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C	4070.4	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #20	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	4118.5	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #21	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	4051.1	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #22	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	4009.2	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #23	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	4032.1	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #24	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	3993.8	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #25	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	4011.1	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #26	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4000.8	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #27	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	4049.3	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #28	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	4122.5	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #29	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4046.9	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #3	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	4037.7	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #30	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4020.3	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #31	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	4073.1	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #32	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	4138.5	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #33	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4077.4	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #34	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4060.5	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #35	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4177.3	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #4	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	4052.4	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #5	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C	4135.8	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #6	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	4093.0	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #7	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	4117.9	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #8	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	4090.1	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,4TMS,isomer #9	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	4111.9	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,5TMS,isomer #1	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C	4008.1	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,5TMS,isomer #10	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	4016.1	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,5TMS,isomer #11	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	4007.4	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,5TMS,isomer #12	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	4071.8	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,5TMS,isomer #13	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	4004.2	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,5TMS,isomer #14	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3980.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,5TMS,isomer #15	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	4124.2	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,5TMS,isomer #16	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	3962.8	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,5TMS,isomer #17	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	4025.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,5TMS,isomer #18	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3959.1	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,5TMS,isomer #19	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3935.8	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,5TMS,isomer #2	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	3968.4	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,5TMS,isomer #20	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4050.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,5TMS,isomer #21	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4071.5	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,5TMS,isomer #3	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3993.4	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,5TMS,isomer #4	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	3954.7	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,5TMS,isomer #5	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3972.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,5TMS,isomer #6	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO[Si](C)(C)C)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	3955.9	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,5TMS,isomer #7	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C	4033.4	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,5TMS,isomer #8	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	4090.4	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,5TMS,isomer #9	COC1=CC(C2OC3=C(O[Si](C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C	4034.3	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,1TBDMS,isomer #1	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	4719.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,1TBDMS,isomer #2	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C(C)(C)C)C=C3C2COC2OC(CO)C(O)C(O)C2O)=CC=C1O	4685.2	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,1TBDMS,isomer #3	COC1=CC(C2OC3=C(O[Si](C)(C)C(C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O)C2O)=CC=C1O	4696.8	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,1TBDMS,isomer #4	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O	4677.9	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,1TBDMS,isomer #5	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	4695.2	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,1TBDMS,isomer #6	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4676.5	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,1TBDMS,isomer #7	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4678.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TBDMS,isomer #1	COC1=CC(C2OC3=C(O[Si](C)(C)C(C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	4846.5	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TBDMS,isomer #10	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C(C)(C)C)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4720.0	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TBDMS,isomer #11	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C(C)(C)C)C=C3C2COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4730.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TBDMS,isomer #12	COC1=CC(C2OC3=C(O[Si](C)(C)C(C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O	4782.0	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TBDMS,isomer #13	COC1=CC(C2OC3=C(O[Si](C)(C)C(C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	4782.2	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TBDMS,isomer #14	COC1=CC(C2OC3=C(O[Si](C)(C)C(C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4739.0	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TBDMS,isomer #15	COC1=CC(C2OC3=C(O[Si](C)(C)C(C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4755.3	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TBDMS,isomer #16	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	4775.7	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TBDMS,isomer #17	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4745.8	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TBDMS,isomer #18	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4758.8	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TBDMS,isomer #19	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4733.5	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TBDMS,isomer #2	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C(C)(C)C)C=C3C2COC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	4810.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TBDMS,isomer #20	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4740.2	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TBDMS,isomer #21	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4748.3	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TBDMS,isomer #3	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	4807.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TBDMS,isomer #4	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	4807.2	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TBDMS,isomer #5	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	4770.1	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TBDMS,isomer #6	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	4783.3	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TBDMS,isomer #7	COC1=CC(C2OC3=C(O[Si](C)(C)C(C)(C)C)C=C(CCCO[Si](C)(C)C(C)(C)C)C=C3C2COC2OC(CO)C(O)C(O)C2O)=CC=C1O	4786.5	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TBDMS,isomer #8	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C(C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O	4761.0	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,2TBDMS,isomer #9	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C(C)(C)C)C=C3C2COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	4756.3	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #1	COC1=CC(C2OC3=C(O[Si](C)(C)C(C)(C)C)C=C(CCCO[Si](C)(C)C(C)(C)C)C=C3C2COC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	4918.2	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #10	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	4900.2	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #11	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	4864.2	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #12	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	4881.2	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #13	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	4857.5	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #14	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	4868.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #15	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	4874.2	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #16	COC1=CC(C2OC3=C(O[Si](C)(C)C(C)(C)C)C=C(CCCO[Si](C)(C)C(C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O	4842.2	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #17	COC1=CC(C2OC3=C(O[Si](C)(C)C(C)(C)C)C=C(CCCO[Si](C)(C)C(C)(C)C)C=C3C2COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	4836.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #18	COC1=CC(C2OC3=C(O[Si](C)(C)C(C)(C)C)C=C(CCCO[Si](C)(C)C(C)(C)C)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4801.0	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #19	COC1=CC(C2OC3=C(O[Si](C)(C)C(C)(C)C)C=C(CCCO[Si](C)(C)C(C)(C)C)C=C3C2COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4815.8	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #2	COC1=CC(C2OC3=C(O[Si](C)(C)C(C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	4912.5	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #20	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C(C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	4834.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #21	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C(C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4804.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #22	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C(C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4814.9	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #23	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C(C)(C)C)C=C3C2COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4789.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #24	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C(C)(C)C)C=C3C2COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4803.7	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #25	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C(C)(C)C)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4806.0	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #26	COC1=CC(C2OC3=C(O[Si](C)(C)C(C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	4862.2	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #27	COC1=CC(C2OC3=C(O[Si](C)(C)C(C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4822.3	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #28	COC1=CC(C2OC3=C(O[Si](C)(C)C(C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4842.1	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #29	COC1=CC(C2OC3=C(O[Si](C)(C)C(C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4814.4	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #3	COC1=CC(C2OC3=C(O[Si](C)(C)C(C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	4913.4	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #30	COC1=CC(C2OC3=C(O[Si](C)(C)C(C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4823.0	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #31	COC1=CC(C2OC3=C(O[Si](C)(C)C(C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4830.7	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #32	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4848.6	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #33	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4886.2	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #34	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4855.3	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #35	COC1=CC(C2OC3=C(O)C=C(CCCO)C=C3C2COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4833.0	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #4	COC1=CC(C2OC3=C(O[Si](C)(C)C(C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	4865.9	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #5	COC1=CC(C2OC3=C(O[Si](C)(C)C(C)(C)C)C=C(CCCO)C=C3C2COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	4893.3	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #6	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C(C)(C)C)C=C3C2COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	4875.9	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #7	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C(C)(C)C)C=C3C2COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	4873.2	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #8	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C(C)(C)C)C=C3C2COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O[Si](C)(C)C(C)(C)C	4838.1	Semi standard non polar	33892256
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside,3TBDMS,isomer #9	COC1=CC(C2OC3=C(O)C=C(CCCO[Si](C)(C)C(C)(C)C)C=C3C2COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C	4848.0	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 - (7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-08ou-5200900000-97d16b671d7aeaa6f1ab	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside GC-MS (2 TMS) - 70eV, Positive	splash10-052r-5300019000-3ea2c640aa72aa585255	2017-10-06	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 - (7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside 10V, Positive-QTOF	splash10-054o-0209840000-d2b6b4fabf93c8924d67	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside 20V, Positive-QTOF	splash10-004i-0309200000-fd0068a1e87970a78821	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside 40V, Positive-QTOF	splash10-002u-0901000000-77a3244f8f62e603337d	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside 10V, Negative-QTOF	splash10-0a4i-1405590000-d107206abe8b61a8e339	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside 20V, Negative-QTOF	splash10-01y9-5906610000-aca30fc43c230cf8ae8f	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside 40V, Negative-QTOF	splash10-0597-9317000000-e4991dce659ca5c2b07a	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside 10V, Negative-QTOF	splash10-0a4i-0000090000-b1a1ef996ddb299cfdae	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside 20V, Negative-QTOF	splash10-0bt9-2001920000-c699e09831ea60160cdb	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside 40V, Negative-QTOF	splash10-0a4i-8896680000-01104fdde99c27a52f42	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside 10V, Positive-QTOF	splash10-0a4i-0003490000-d7ec088ac9b09c148b39	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside 20V, Positive-QTOF	splash10-0a6u-1115930000-823e850bff80dd0a093b	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside 40V, Positive-QTOF	splash10-000i-5924410000-76491ab3dff785f99b39	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

FDB018118

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131752438

PDB ID

Not Available

ChEBI ID

168655

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 (7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside (HMDB0038710)

MOL for HMDB0038710 ((7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside)

3D MOL for HMDB0038710 ((7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside)

3D SDF for HMDB0038710 ((7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside)

3D-SDF for HMDB0038710 ((7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside)

PDB for HMDB0038710 ((7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside)

3D PDB for HMDB0038710 ((7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside)

SMILES for HMDB0038710 ((7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside)

INCHI for HMDB0038710 ((7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside)

Structure for HMDB0038710 ((7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside)

3D Structure for HMDB0038710 ((7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra