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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 02:01:06 UTC

Update Date

2022-03-07 02:56:36 UTC

HMDB ID

HMDB0040471

Secondary Accession Numbers

HMDB40471

Metabolite Identification

Common Name

Isolariciresinol 4'-O-beta-D-glucoside

Description

Isolariciresinol 4'-O-beta-D-glucoside belongs to the class of organic compounds known as lignan glycosides. These are aromatic polycyclic compounds containing a carbohydrate component glycosidically linked to a lignan moiety. They include 1-aryltetralin lactones. Isolariciresinol 4'-O-beta-D-glucoside has been detected, but not quantified in, alcoholic beverages. This could make isolariciresinol 4'-O-beta-D-glucoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Isolariciresinol 4'-O-beta-D-glucoside.

Structure

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


  Mrv0541 05061311512D          

 37 40  0  0  0  0            999 V2000
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4289   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  3  2  0  0  0  0
 12  3  1  0  0  0  0
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 36 26  1  0  0  0  0
 37 21  1  0  0  0  0
 37 26  1  0  0  0  0
M  END

HMDB0040471
     RDKit          3D
Isolariciresinol 4'-O-beta-D-glucoside
 71 74  0  0  0  0  0  0  0  0999 V2000
   -6.8851   -2.8041    1.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv0541 05061311512D          

 37 40  0  0  0  0            999 V2000
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27  9  1  0  0  0  0
 28 10  1  0  0  0  0
 29 11  1  0  0  0  0
 30 17  1  0  0  0  0
 31 23  1  0  0  0  0
 32 24  1  0  0  0  0
 33 25  1  0  0  0  0
 34  1  1  0  0  0  0
 34 19  1  0  0  0  0
 35  2  1  0  0  0  0
 35 20  1  0  0  0  0
 36 18  1  0  0  0  0
 36 26  1  0  0  0  0
 37 21  1  0  0  0  0
 37 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0040471

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(O)C=C2C(C(CO)C(CO)CC2=C1)C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C26H34O11/c1-34-19-7-13-5-14(9-27)16(10-28)22(15(13)8-17(19)30)12-3-4-18(20(6-12)35-2)36-26-25(33)24(32)23(31)21(11-29)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3

> <INCHI_KEY>
LLUBKLPJYIQJPI-UHFFFAOYSA-N

> <FORMULA>
C26H34O11

> <MOLECULAR_WEIGHT>
522.5416

> <EXACT_MASS>
522.21011193

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
53.75815081302952

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{4-[7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
0.19

> <JCHEM_LOGP>
-0.4876297576666652

> <ALOGPS_LOGS>
-3.13

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.203791184855344

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.237672538750974

> <JCHEM_PKA_STRONGEST_BASIC>
-2.6036864610410513

> <JCHEM_POLAR_SURFACE_AREA>
178.52999999999997

> <JCHEM_REFRACTIVITY>
130.01699999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.87e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{4-[7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0040471
     RDKit          3D
Isolariciresinol 4'-O-beta-D-glucoside
 71 74  0  0  0  0  0  0  0  0999 V2000
   -6.8851   -2.8041    1.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9669   -3.1723    0.9246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1039   -2.1853    0.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1531   -0.8891    0.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3005    0.0686    0.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3771   -0.2321   -0.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3280   -1.5275   -1.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1834   -2.4991   -0.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0849   -3.7984   -1.0666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4283    0.7281   -1.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0609    0.3444   -0.7913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0327    0.6624   -1.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3218    0.3028   -1.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5816   -0.3830   -0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8389   -0.7696    0.3614 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9957   -0.5100   -0.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9479    0.1855    0.4270 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9626    0.5700   -0.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9541    1.4784    0.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9773    1.8684   -0.5599 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7381   -0.5808   -1.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3556   -1.3091    0.0168 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7562   -1.4966   -1.6957 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3422   -2.6136   -2.2460 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6815   -1.8490   -0.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3103   -2.2498    0.5015 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4752   -0.7113    0.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7435   -1.4154    1.9305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2980   -1.7867    2.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7640   -0.3470    0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8070    2.1172   -0.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8206    3.1377   -1.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1245    4.4380   -0.9248 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0695    2.1360    0.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0838    3.5019    1.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0924    4.2475    0.7235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4292    1.4509    0.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5938   -2.0082    1.5549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4063   -2.4163    2.8326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5026   -3.6786    2.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8881   -0.6411    1.6453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6214   -1.8420   -1.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7011   -4.4884   -0.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4722    0.6594   -2.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0714    1.2014   -2.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1410    0.5731   -1.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.0324   -1.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5326    1.1348   -1.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3771    0.9545    1.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4633    2.4071    0.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6031    2.4563   -1.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4785   -0.1419   -1.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7037   -2.1687   -0.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2514   -0.9437   -2.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6977   -3.3697   -2.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9683   -2.5851   -1.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6785   -2.7677    1.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8206   -2.6569    2.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0019   -0.9174    2.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0662   -2.0452    3.8048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5893   -0.6447    1.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7686    2.3471   -1.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8803    3.1019   -2.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7848    2.8925   -0.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7203    4.8823   -1.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3395    1.5462    1.2533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1273    4.0065    1.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4096    3.3881    2.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9492    4.2049    1.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1817    1.9765    0.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6827    1.4426    1.9872 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  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  6 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 14 27  1  0
 27 28  1  0
 28 29  1  0
 27 30  2  0
 10 31  1  0
 31 32  1  0
 32 33  1  0
 31 34  1  0
 34 35  1  0
 35 36  1  0
 34 37  1  0
  8  3  1  0
 30 11  1  0
 37  5  1  0
 25 16  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  4 41  1  0
  7 42  1  0
  9 43  1  0
 10 44  1  0
 12 45  1  0
 13 46  1  0
 16 47  1  0
 18 48  1  0
 19 49  1  0
 19 50  1  0
 20 51  1  0
 21 52  1  0
 22 53  1  0
 23 54  1  0
 24 55  1  0
 25 56  1  0
 26 57  1  0
 29 58  1  0
 29 59  1  0
 29 60  1  0
 30 61  1  0
 31 62  1  0
 32 63  1  0
 32 64  1  0
 33 65  1  0
 34 66  1  0
 35 67  1  0
 35 68  1  0
 36 69  1  0
 37 70  1  0
 37 71  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       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000 -13.860   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.000 -12.320   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -1.334 -14.630   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -2.667 -12.320   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       0.000  -7.700   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       8.002   0.000   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       5.335  -7.700   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       1.334 -11.550   0.000  0.00  0.00           O+0
CONECT    1   34                                                            
CONECT    2   35                                                            
CONECT    3    4   12                                                       
CONECT    4    3   18                                                       
CONECT    5   13   14                                                       
CONECT    6   12   20                                                       
CONECT    7   13   19                                                       
CONECT    8   15   17                                                       
CONECT    9   14   27                                                       
CONECT   10   16   28                                                       
CONECT   11   21   29                                                       
CONECT   12    3    6   22                                                  
CONECT   13    5    7   15                                                  
CONECT   14    5    9   16                                                  
CONECT   15    8   13   22                                                  
CONECT   16   10   14   22                                                  
CONECT   17    8   19   30                                                  
CONECT   18    4   20   36                                                  
CONECT   19    7   17   34                                                  
CONECT   20    6   18   35                                                  
CONECT   21   11   23   37                                                  
CONECT   22   12   15   16                                                  
CONECT   23   21   24   31                                                  
CONECT   24   23   25   32                                                  
CONECT   25   24   26   33                                                  
CONECT   26   25   36   37                                                  
CONECT   27    9                                                            
CONECT   28   10                                                            
CONECT   29   11                                                            
CONECT   30   17                                                            
CONECT   31   23                                                            
CONECT   32   24                                                            
CONECT   33   25                                                            
CONECT   34    1   19                                                       
CONECT   35    2   20                                                       
CONECT   36   18   26                                                       
CONECT   37   21   26                                                       
MASTER        0    0    0    0    0    0    0    0   37    0   80    0
END

COMPND    HMDB0040471
HETATM    1  C1  UNL     1      -6.885  -2.804   1.916  1.00  0.00           C  
HETATM    2  O1  UNL     1      -5.967  -3.172   0.925  1.00  0.00           O  
HETATM    3  C2  UNL     1      -5.104  -2.185   0.412  1.00  0.00           C  
HETATM    4  C3  UNL     1      -5.153  -0.889   0.867  1.00  0.00           C  
HETATM    5  C4  UNL     1      -4.300   0.069   0.355  1.00  0.00           C  
HETATM    6  C5  UNL     1      -3.377  -0.232  -0.620  1.00  0.00           C  
HETATM    7  C6  UNL     1      -3.328  -1.527  -1.074  1.00  0.00           C  
HETATM    8  C7  UNL     1      -4.183  -2.499  -0.564  1.00  0.00           C  
HETATM    9  O2  UNL     1      -4.085  -3.798  -1.067  1.00  0.00           O  
HETATM   10  C8  UNL     1      -2.428   0.728  -1.221  1.00  0.00           C  
HETATM   11  C9  UNL     1      -1.061   0.344  -0.791  1.00  0.00           C  
HETATM   12  C10 UNL     1       0.033   0.662  -1.578  1.00  0.00           C  
HETATM   13  C11 UNL     1       1.322   0.303  -1.212  1.00  0.00           C  
HETATM   14  C12 UNL     1       1.582  -0.383  -0.059  1.00  0.00           C  
HETATM   15  O3  UNL     1       2.839  -0.770   0.361  1.00  0.00           O  
HETATM   16  C13 UNL     1       3.996  -0.510  -0.335  1.00  0.00           C  
HETATM   17  O4  UNL     1       4.948   0.185   0.427  1.00  0.00           O  
HETATM   18  C14 UNL     1       5.963   0.570  -0.415  1.00  0.00           C  
HETATM   19  C15 UNL     1       6.954   1.478   0.283  1.00  0.00           C  
HETATM   20  O5  UNL     1       7.977   1.868  -0.560  1.00  0.00           O  
HETATM   21  C16 UNL     1       6.738  -0.581  -1.004  1.00  0.00           C  
HETATM   22  O6  UNL     1       7.356  -1.309   0.017  1.00  0.00           O  
HETATM   23  C17 UNL     1       5.756  -1.497  -1.696  1.00  0.00           C  
HETATM   24  O7  UNL     1       6.342  -2.614  -2.246  1.00  0.00           O  
HETATM   25  C18 UNL     1       4.682  -1.849  -0.677  1.00  0.00           C  
HETATM   26  O8  UNL     1       5.310  -2.250   0.501  1.00  0.00           O  
HETATM   27  C19 UNL     1       0.475  -0.711   0.747  1.00  0.00           C  
HETATM   28  O9  UNL     1       0.743  -1.415   1.931  1.00  0.00           O  
HETATM   29  C20 UNL     1      -0.298  -1.787   2.800  1.00  0.00           C  
HETATM   30  C21 UNL     1      -0.764  -0.347   0.362  1.00  0.00           C  
HETATM   31  C22 UNL     1      -2.807   2.117  -0.776  1.00  0.00           C  
HETATM   32  C23 UNL     1      -1.821   3.138  -1.295  1.00  0.00           C  
HETATM   33  O10 UNL     1      -2.125   4.438  -0.925  1.00  0.00           O  
HETATM   34  C24 UNL     1      -3.070   2.136   0.670  1.00  0.00           C  
HETATM   35  C25 UNL     1      -3.084   3.502   1.324  1.00  0.00           C  
HETATM   36  O11 UNL     1      -4.092   4.247   0.723  1.00  0.00           O  
HETATM   37  C26 UNL     1      -4.429   1.451   0.910  1.00  0.00           C  
HETATM   38  H1  UNL     1      -7.594  -2.008   1.555  1.00  0.00           H  
HETATM   39  H2  UNL     1      -6.406  -2.416   2.833  1.00  0.00           H  
HETATM   40  H3  UNL     1      -7.503  -3.679   2.192  1.00  0.00           H  
HETATM   41  H4  UNL     1      -5.888  -0.641   1.645  1.00  0.00           H  
HETATM   42  H5  UNL     1      -2.621  -1.842  -1.847  1.00  0.00           H  
HETATM   43  H6  UNL     1      -4.701  -4.488  -0.696  1.00  0.00           H  
HETATM   44  H7  UNL     1      -2.472   0.659  -2.354  1.00  0.00           H  
HETATM   45  H8  UNL     1      -0.071   1.201  -2.508  1.00  0.00           H  
HETATM   46  H9  UNL     1       2.141   0.573  -1.857  1.00  0.00           H  
HETATM   47  H10 UNL     1       3.897   0.032  -1.269  1.00  0.00           H  
HETATM   48  H11 UNL     1       5.533   1.135  -1.280  1.00  0.00           H  
HETATM   49  H12 UNL     1       7.377   0.955   1.174  1.00  0.00           H  
HETATM   50  H13 UNL     1       6.463   2.407   0.661  1.00  0.00           H  
HETATM   51  H14 UNL     1       7.603   2.456  -1.260  1.00  0.00           H  
HETATM   52  H15 UNL     1       7.479  -0.142  -1.710  1.00  0.00           H  
HETATM   53  H16 UNL     1       7.704  -2.169  -0.288  1.00  0.00           H  
HETATM   54  H17 UNL     1       5.251  -0.944  -2.536  1.00  0.00           H  
HETATM   55  H18 UNL     1       5.698  -3.370  -2.296  1.00  0.00           H  
HETATM   56  H19 UNL     1       3.968  -2.585  -1.050  1.00  0.00           H  
HETATM   57  H20 UNL     1       4.678  -2.768   1.071  1.00  0.00           H  
HETATM   58  H21 UNL     1      -0.821  -2.657   2.389  1.00  0.00           H  
HETATM   59  H22 UNL     1      -1.002  -0.917   2.959  1.00  0.00           H  
HETATM   60  H23 UNL     1       0.066  -2.045   3.805  1.00  0.00           H  
HETATM   61  H24 UNL     1      -1.589  -0.645   1.028  1.00  0.00           H  
HETATM   62  H25 UNL     1      -3.769   2.347  -1.332  1.00  0.00           H  
HETATM   63  H26 UNL     1      -1.880   3.102  -2.404  1.00  0.00           H  
HETATM   64  H27 UNL     1      -0.785   2.892  -0.975  1.00  0.00           H  
HETATM   65  H28 UNL     1      -2.720   4.882  -1.576  1.00  0.00           H  
HETATM   66  H29 UNL     1      -2.340   1.546   1.253  1.00  0.00           H  
HETATM   67  H30 UNL     1      -2.127   4.007   1.354  1.00  0.00           H  
HETATM   68  H31 UNL     1      -3.410   3.388   2.400  1.00  0.00           H  
HETATM   69  H32 UNL     1      -4.949   4.205   1.229  1.00  0.00           H  
HETATM   70  H33 UNL     1      -5.182   1.976   0.285  1.00  0.00           H  
HETATM   71  H34 UNL     1      -4.683   1.443   1.987  1.00  0.00           H  
CONECT    1    2   38   39   40
CONECT    2    3
CONECT    3    4    4    8
CONECT    4    5   41
CONECT    5    6    6   37
CONECT    6    7   10
CONECT    7    8    8   42
CONECT    8    9
CONECT    9   43
CONECT   10   11   31   44
CONECT   11   12   12   30
CONECT   12   13   45
CONECT   13   14   14   46
CONECT   14   15   27
CONECT   15   16
CONECT   16   17   25   47
CONECT   17   18
CONECT   18   19   21   48
CONECT   19   20   49   50
CONECT   20   51
CONECT   21   22   23   52
CONECT   22   53
CONECT   23   24   25   54
CONECT   24   55
CONECT   25   26   56
CONECT   26   57
CONECT   27   28   30   30
CONECT   28   29
CONECT   29   58   59   60
CONECT   30   61
CONECT   31   32   34   62
CONECT   32   33   63   64
CONECT   33   65
CONECT   34   35   37   66
CONECT   35   36   67   68
CONECT   36   69
CONECT   37   70   71
END

HMDB0040471
     RDKit          3D
Isolariciresinol 4'-O-beta-D-glucoside
 71 74  0  0  0  0  0  0  0  0999 V2000
   -6.8851   -2.8041    1.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9669   -3.1723    0.9246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1039   -2.1853    0.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1531   -0.8891    0.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3005    0.0686    0.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3771   -0.2321   -0.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3280   -1.5275   -1.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1834   -2.4991   -0.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0849   -3.7984   -1.0666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4283    0.7281   -1.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0609    0.3444   -0.7913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0327    0.6624   -1.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3218    0.3028   -1.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5816   -0.3830   -0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8389   -0.7696    0.3614 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9957   -0.5100   -0.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9479    0.1855    0.4270 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9626    0.5700   -0.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9541    1.4784    0.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9773    1.8684   -0.5599 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7381   -0.5808   -1.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3556   -1.3091    0.0168 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7562   -1.4966   -1.6957 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3422   -2.6136   -2.2460 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6815   -1.8490   -0.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3103   -2.2498    0.5015 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4752   -0.7113    0.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7435   -1.4154    1.9305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2980   -1.7867    2.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7640   -0.3470    0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8070    2.1172   -0.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8206    3.1377   -1.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1245    4.4380   -0.9248 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0695    2.1360    0.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0838    3.5019    1.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0924    4.2475    0.7235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4292    1.4509    0.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5938   -2.0082    1.5549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4063   -2.4163    2.8326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5026   -3.6786    2.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8881   -0.6411    1.6453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6214   -1.8420   -1.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7011   -4.4884   -0.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4722    0.6594   -2.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0714    1.2014   -2.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1410    0.5731   -1.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.0324   -1.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5326    1.1348   -1.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3771    0.9545    1.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4633    2.4071    0.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6031    2.4563   -1.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4785   -0.1419   -1.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7037   -2.1687   -0.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2514   -0.9437   -2.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6977   -3.3697   -2.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9683   -2.5851   -1.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6785   -2.7677    1.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8206   -2.6569    2.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0019   -0.9174    2.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0662   -2.0452    3.8048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5893   -0.6447    1.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7686    2.3471   -1.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8803    3.1019   -2.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7848    2.8925   -0.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7203    4.8823   -1.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3395    1.5462    1.2533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1273    4.0065    1.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4096    3.3881    2.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9492    4.2049    1.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1817    1.9765    0.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6827    1.4426    1.9872 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  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  6 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 14 27  1  0
 27 28  1  0
 28 29  1  0
 27 30  2  0
 10 31  1  0
 31 32  1  0
 32 33  1  0
 31 34  1  0
 34 35  1  0
 35 36  1  0
 34 37  1  0
  8  3  1  0
 30 11  1  0
 37  5  1  0
 25 16  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  4 41  1  0
  7 42  1  0
  9 43  1  0
 10 44  1  0
 12 45  1  0
 13 46  1  0
 16 47  1  0
 18 48  1  0
 19 49  1  0
 19 50  1  0
 20 51  1  0
 21 52  1  0
 22 53  1  0
 23 54  1  0
 24 55  1  0
 25 56  1  0
 26 57  1  0
 29 58  1  0
 29 59  1  0
 29 60  1  0
 30 61  1  0
 31 62  1  0
 32 63  1  0
 32 64  1  0
 33 65  1  0
 34 66  1  0
 35 67  1  0
 35 68  1  0
 36 69  1  0
 37 70  1  0
 37 71  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Isolariciresinol 4'-O-b-D-glucoside	Generator
Isolariciresinol 4'-O-β-D-glucoside	Generator

Chemical Formula

C₂₆H₃₄O₁₁

Average Molecular Weight

522.5416

Monoisotopic Molecular Weight

522.21011193

IUPAC Name

2-{4-[7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

2-{4-[7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

145748-07-8

SMILES

COC1=C(O)C=C2C(C(CO)C(CO)CC2=C1)C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1

InChI Identifier

InChI=1S/C26H34O11/c1-34-19-7-13-5-14(9-27)16(10-28)22(15(13)8-17(19)30)12-3-4-18(20(6-12)35-2)36-26-25(33)24(32)23(31)21(11-29)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3

InChI Key

LLUBKLPJYIQJPI-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as lignan glycosides. These are aromatic polycyclic compounds containing a carbohydrate component glycosidically linked to a lignan moiety. They include 1-aryltetralin lactones.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Lignan glycosides

Sub Class

Not Available

Direct Parent

Lignan glycosides

Alternative Parents

Substituents

Lignan glycoside
9,9p-dihydroxyaryltetralin lignan
1-aryltetralin lignan
Fatty acyl glycoside
Fatty acyl glycoside of mono- or disaccharide
Phenolic glycoside
Alkyl glycoside
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Tetralin
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Oxane
Benzenoid
Fatty acyl
Monosaccharide
Monocyclic benzene moiety
Secondary alcohol
Polyol
Acetal
Oxacycle
Organoheterocyclic compound
Ether
Organooxygen compound
Alcohol
Primary alcohol
Organic oxygen compound
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0040471)
Cytoplasm (HMDB: HMDB0040471)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0040471)

Source

Exogenous

Food

Food (HMDB: HMDB0040471)

Beverage

Alcoholic beverage

Alcoholic beverages (FooDB: FOOD00854)

Not Available

Nutrient (HMDB: HMDB0040471)

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	0.39 g/L	ALOGPS
logP	0.19	ALOGPS
logP	-0.49	ChemAxon
logS	-3.1	ALOGPS
pKa (Strongest Acidic)	10.24	ChemAxon
pKa (Strongest Basic)	-2.6	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	8	ChemAxon
Refractivity	130.02 m³·mol⁻¹	ChemAxon
Polarizability	53.76 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]+	220.432	31661259
DarkChem	[M-H]-	216.295	31661259
DeepCCS	[M+H]+	218.386	30932474
DeepCCS	[M-H]-	215.99	30932474
DeepCCS	[M-2H]-	248.873	30932474
DeepCCS	[M+Na]+	224.298	30932474
AllCCS	[M+H]+	221.0	32859911
AllCCS	[M+H-H2O]+	219.3	32859911
AllCCS	[M+NH4]+	222.5	32859911
AllCCS	[M+Na]+	222.9	32859911
AllCCS	[M-H]-	213.4	32859911
AllCCS	[M+Na-2H]-	215.2	32859911
AllCCS	[M+HCOO]-	217.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Isolariciresinol 4'-O-beta-D-glucoside	COC1=C(O)C=C2C(C(CO)C(CO)CC2=C1)C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1	4308.7	Standard polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside	COC1=C(O)C=C2C(C(CO)C(CO)CC2=C1)C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1	4485.4	Standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside	COC1=C(O)C=C2C(C(CO)C(CO)CC2=C1)C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1	4680.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Isolariciresinol 4'-O-beta-D-glucoside,1TMS,isomer #1	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO)C(O)C(O)C1O	4542.5	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,1TMS,isomer #2	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C2	4542.3	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,1TMS,isomer #3	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C2	4552.2	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,1TMS,isomer #4	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(OC)=C1)C(CO)C(CO)C2	4547.4	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,1TMS,isomer #5	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(OC)=C1)C(CO)C(CO)C2	4547.8	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,1TMS,isomer #6	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO)C(CO)C2	4527.9	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,1TMS,isomer #7	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO)C2	4545.7	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TMS,isomer #1	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(CO)C(O)C(O)C1O	4342.4	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TMS,isomer #10	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C2	4324.3	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TMS,isomer #11	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C2	4317.6	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TMS,isomer #12	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C2	4347.3	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TMS,isomer #13	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C2	4349.1	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TMS,isomer #14	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C2	4313.1	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TMS,isomer #15	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C2	4345.0	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TMS,isomer #16	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(OC)=C1)C(CO)C(CO)C2	4401.0	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TMS,isomer #17	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO)C(CO)C2	4365.8	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TMS,isomer #18	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO)C2	4407.3	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TMS,isomer #19	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO)C(CO)C2	4370.8	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TMS,isomer #2	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO)C(O)C(O)C1O	4318.9	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TMS,isomer #20	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO)C2	4376.9	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TMS,isomer #21	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO)C2	4392.8	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TMS,isomer #3	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	4371.8	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TMS,isomer #4	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4390.9	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TMS,isomer #5	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4348.7	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TMS,isomer #6	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4385.4	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TMS,isomer #7	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C2	4331.7	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TMS,isomer #8	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C2	4326.2	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TMS,isomer #9	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C2	4290.8	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #1	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO)C(O)C(O)C1O	4141.8	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #10	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4273.3	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #11	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4234.0	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #12	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4283.6	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #13	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4250.4	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #14	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4268.9	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #15	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4267.7	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #16	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C2	4180.9	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #17	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C2	4143.7	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #18	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C2	4190.4	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #19	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C2	4126.4	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #2	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	4193.4	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #20	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C2	4159.4	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #21	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C2	4179.0	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #22	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C2	4138.0	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #23	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C2	4174.7	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #24	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C2	4093.5	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #25	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C2	4131.1	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #26	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C2	4222.6	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #27	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C2	4178.9	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #28	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C2	4228.4	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #29	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C2	4187.8	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #3	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4209.1	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #30	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C2	4209.9	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #31	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C2	4201.6	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #32	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO)C(CO)C2	4286.1	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #33	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO)C2	4337.1	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #34	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO)C2	4299.5	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #35	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO)C2	4298.8	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #4	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4153.2	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #5	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4201.8	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #6	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	4153.1	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #7	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4171.0	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #8	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4120.0	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TMS,isomer #9	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4167.7	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #1	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	4015.7	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #10	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4085.5	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #11	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4070.0	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #12	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4036.5	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #13	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4082.3	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #14	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4052.9	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #15	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4077.1	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #16	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4064.4	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #17	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4176.4	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #18	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4230.1	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #19	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4194.5	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #2	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4030.3	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #20	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4198.8	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #21	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C2	4092.5	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #22	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C2	4139.9	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #23	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C2	4045.0	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #24	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C2	4101.2	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #25	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C2	4005.2	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #26	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C2	4056.2	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #27	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C2	4086.5	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #28	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C2	4002.3	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #29	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C2	4033.3	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #3	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	3993.5	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #30	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C2	4012.1	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #31	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C2	4111.6	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #32	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C2	4168.3	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #33	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C2	4121.9	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #34	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C2	4109.1	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #35	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO)C2	4265.6	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #4	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4033.3	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #5	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4105.8	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #6	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4062.7	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #7	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4115.8	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #8	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4074.6	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,4TMS,isomer #9	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4101.5	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,5TMS,isomer #1	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3963.6	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,5TMS,isomer #10	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4020.1	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,5TMS,isomer #11	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4011.4	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,5TMS,isomer #12	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4041.2	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,5TMS,isomer #13	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4014.8	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,5TMS,isomer #14	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4008.4	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,5TMS,isomer #15	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4178.1	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,5TMS,isomer #16	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C2	4063.1	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,5TMS,isomer #17	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C2	3977.9	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,5TMS,isomer #18	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C2	4009.4	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,5TMS,isomer #19	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C2	3973.0	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,5TMS,isomer #2	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3928.2	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,5TMS,isomer #20	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C2	3944.0	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,5TMS,isomer #21	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C2	4080.2	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,5TMS,isomer #3	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3971.6	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,5TMS,isomer #4	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3929.5	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,5TMS,isomer #5	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3954.9	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,5TMS,isomer #6	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3935.1	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,5TMS,isomer #7	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4027.3	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,5TMS,isomer #8	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4061.6	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,5TMS,isomer #9	COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4031.2	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,1TBDMS,isomer #1	COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO)C(O)C(O)C1O	4774.7	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,1TBDMS,isomer #2	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO)C2	4768.9	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,1TBDMS,isomer #3	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C(C)(C)C)C2	4786.5	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,1TBDMS,isomer #4	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(OC)=C1)C(CO)C(CO)C2	4785.6	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,1TBDMS,isomer #5	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(OC)=C1)C(CO)C(CO)C2	4820.3	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,1TBDMS,isomer #6	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(OC)=C1)C(CO)C(CO)C2	4794.9	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,1TBDMS,isomer #7	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(CO)C2	4813.3	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TBDMS,isomer #1	COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C(C)(C)C)C2CO)=CC=C1OC1OC(CO)C(O)C(O)C1O	4857.1	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TBDMS,isomer #10	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO)C2	4808.8	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TBDMS,isomer #11	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)C2	4837.7	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TBDMS,isomer #12	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C(C)(C)C)C2	4850.0	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TBDMS,isomer #13	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C(C)(C)C)C2	4853.4	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TBDMS,isomer #14	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C(C)(C)C)C2	4818.0	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TBDMS,isomer #15	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(CO[Si](C)(C)C(C)(C)C)C2	4839.8	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TBDMS,isomer #16	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(OC)=C1)C(CO)C(CO)C2	4897.4	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TBDMS,isomer #17	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(OC)=C1)C(CO)C(CO)C2	4870.8	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TBDMS,isomer #18	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(CO)C2	4895.5	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TBDMS,isomer #19	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(OC)=C1)C(CO)C(CO)C2	4864.4	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TBDMS,isomer #2	COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C(C)(C)C)=CC=C1OC1OC(CO)C(O)C(O)C1O	4815.2	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TBDMS,isomer #20	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(CO)C2	4881.9	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TBDMS,isomer #21	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(CO)C2	4894.9	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TBDMS,isomer #3	COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4868.3	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TBDMS,isomer #4	COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4885.5	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TBDMS,isomer #5	COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4847.4	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TBDMS,isomer #6	COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4877.5	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TBDMS,isomer #7	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO)C2	4818.0	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TBDMS,isomer #8	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO)C2	4818.4	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,2TBDMS,isomer #9	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO)C2	4781.8	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #1	COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C(C)(C)C)C2CO[Si](C)(C)C(C)(C)C)=CC=C1OC1OC(CO)C(O)C(O)C1O	4888.2	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #10	COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4962.3	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #11	COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4937.9	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #12	COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4968.1	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #13	COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4933.1	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #14	COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4953.5	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #15	COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4964.6	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #16	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO)C2	4866.4	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #17	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO)C2	4847.5	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #18	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO)C2	4865.8	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #19	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)C2	4853.3	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #2	COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C(C)(C)C)C2CO)=CC=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4905.2	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #20	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO)C2	4831.6	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #21	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO)C2	4848.5	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #22	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)C2	4856.8	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #23	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO)C2	4858.1	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #24	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)C2	4837.4	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #25	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)C2	4842.3	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #26	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C(C)(C)C)C2	4916.0	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #27	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C(C)(C)C)C2	4892.3	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #28	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(CO[Si](C)(C)C(C)(C)C)C2	4915.2	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #29	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C(C)(C)C)C2	4874.6	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #3	COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C(C)(C)C)C2CO)=CC=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4921.7	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #30	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(CO[Si](C)(C)C(C)(C)C)C2	4893.4	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #31	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(CO[Si](C)(C)C(C)(C)C)C2	4900.9	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #32	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(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)C3O)C(OC)=C1)C(CO)C(CO)C2	4970.6	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #33	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(CO)C2	5025.2	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #34	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(CO)C2	4987.3	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #35	COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(CO)C2	4978.9	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #4	COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C(C)(C)C)C2CO)=CC=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4883.1	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #5	COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C(C)(C)C)C2CO)=CC=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4903.9	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #6	COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C(C)(C)C)=CC=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4859.1	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #7	COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C(C)(C)C)=CC=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4872.3	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #8	COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C(C)(C)C)=CC=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4837.3	Semi standard non polar	33892256
Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,isomer #9	COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C(C)(C)C)=CC=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4853.7	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Isolariciresinol 4'-O-beta-D-glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0c03-6400930000-e31a40603bfc84bb459e	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isolariciresinol 4'-O-beta-D-glucoside GC-MS (2 TMS) - 70eV, Positive	splash10-0ukj-5300029000-33649afda9c182705a3f	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isolariciresinol 4'-O-beta-D-glucoside GC-MS (TBDMS_3_12) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Isolariciresinol 4'-O-beta-D-glucoside GC-MS ("Isolariciresinol 4'-O-beta-D-glucoside,3TBDMS,#12" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isolariciresinol 4'-O-beta-D-glucoside 10V, Positive-QTOF	splash10-0c03-0109260000-03e799e7930467ca839f	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isolariciresinol 4'-O-beta-D-glucoside 20V, Positive-QTOF	splash10-0006-0109100000-de1997d6005ffb772d64	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isolariciresinol 4'-O-beta-D-glucoside 40V, Positive-QTOF	splash10-000f-1419000000-0767996f208a0d17177f	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isolariciresinol 4'-O-beta-D-glucoside 10V, Negative-QTOF	splash10-00dl-1205390000-69163b6b7832dc3f0f0e	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isolariciresinol 4'-O-beta-D-glucoside 20V, Negative-QTOF	splash10-052f-0109220000-323f7756c63162928cdd	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isolariciresinol 4'-O-beta-D-glucoside 40V, Negative-QTOF	splash10-054o-2009000000-57a252ebe5a06a2009db	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isolariciresinol 4'-O-beta-D-glucoside 10V, Negative-QTOF	splash10-00di-0000390000-56e9becd72e318eaaacb	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isolariciresinol 4'-O-beta-D-glucoside 20V, Negative-QTOF	splash10-01t9-0001920000-92cd2f763a65a03a629f	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isolariciresinol 4'-O-beta-D-glucoside 40V, Negative-QTOF	splash10-00or-1016950000-b9cb384e3838dc781572	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isolariciresinol 4'-O-beta-D-glucoside 10V, Positive-QTOF	splash10-000i-0001950000-cab4b87ff92f878afd7f	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isolariciresinol 4'-O-beta-D-glucoside 20V, Positive-QTOF	splash10-000i-0003910000-27c8dd46f264de6fce07	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isolariciresinol 4'-O-beta-D-glucoside 40V, Positive-QTOF	splash10-00fs-3309410000-0464f3ad1b56be3e35a2	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	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

FDB020225

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

74407576

PDB ID

Not Available

ChEBI ID

Not Available

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 Isolariciresinol 4'-O-beta-D-glucoside (HMDB0040471)

MOL for HMDB0040471 (Isolariciresinol 4'-O-beta-D-glucoside)

3D MOL for HMDB0040471 (Isolariciresinol 4'-O-beta-D-glucoside)

3D SDF for HMDB0040471 (Isolariciresinol 4'-O-beta-D-glucoside)

3D-SDF for HMDB0040471 (Isolariciresinol 4'-O-beta-D-glucoside)

PDB for HMDB0040471 (Isolariciresinol 4'-O-beta-D-glucoside)

3D PDB for HMDB0040471 (Isolariciresinol 4'-O-beta-D-glucoside)

SMILES for HMDB0040471 (Isolariciresinol 4'-O-beta-D-glucoside)

INCHI for HMDB0040471 (Isolariciresinol 4'-O-beta-D-glucoside)

Structure for HMDB0040471 (Isolariciresinol 4'-O-beta-D-glucoside)

3D Structure for HMDB0040471 (Isolariciresinol 4'-O-beta-D-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra