Hmdb loader

Showing metabocard for Isolariciresinol 9-O-beta-D-glucoside (HMDB0032907)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:52:36 UTC
Update Date2022-03-07 02:53:30 UTC
HMDB IDHMDB0032907
Secondary Accession Numbers
  • HMDB32907
Metabolite Identification
Common NameIsolariciresinol 9-O-beta-D-glucoside
DescriptionIsolariciresinol 9-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. Based on a literature review very few articles have been published on Isolariciresinol 9-O-beta-D-glucoside.
Structure
Data?1563862325
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0032907 (Isolariciresinol 9-O-beta-D-glucoside)


  Mrv0541 05061306472D          

 37 40  0  0  0  0            999 V2000
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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M  END
Download

3D MOL for HMDB0032907 (Isolariciresinol 9-O-beta-D-glucoside)

HMDB0032907
     RDKit          3D
Isolariciresinol 9-O-beta-D-glucoside
 71 74  0  0  0  0  0  0  0  0999 V2000
    5.4346   -4.4096   -0.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D SDF for HMDB0032907 (Isolariciresinol 9-O-beta-D-glucoside)


  Mrv0541 05061306472D          

 37 40  0  0  0  0            999 V2000
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    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
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 22 15  1  0  0  0  0
 22 16  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 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 17  1  0  0  0  0
 30 18  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 11  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>
HMDB0032907

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(O)C=C2C(C(CO)C(COC3OC(CO)C(O)C(O)C3O)CC2=C1)C1=CC(OC)=C(O)C=C1

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

> <INCHI_KEY>
BUQQDANPHQFSEK-UHFFFAOYSA-N

> <FORMULA>
C26H34O11

> <MOLECULAR_WEIGHT>
522.5416

> <EXACT_MASS>
522.21011193

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
54.42591964329299

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
0.31

> <JCHEM_LOGP>
0.009602690000001496

> <ALOGPS_LOGS>
-3.14

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.454631973343922

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.836347882395291

> <JCHEM_PKA_STRONGEST_BASIC>
-2.6120174543426424

> <JCHEM_POLAR_SURFACE_AREA>
178.52999999999997

> <JCHEM_REFRACTIVITY>
130.28589999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.77e-01 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0032907 (Isolariciresinol 9-O-beta-D-glucoside)

HMDB0032907
     RDKit          3D
Isolariciresinol 9-O-beta-D-glucoside
 71 74  0  0  0  0  0  0  0  0999 V2000
    5.4346   -4.4096   -0.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3611   -4.1156    0.9485 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4154   -3.2020    1.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5332   -2.5610    0.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6215   -1.6656    1.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6566   -0.9359    0.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1231    0.4828    0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4607    0.8122    0.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9088    2.1142    0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2705    2.4272    0.3363 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9591    3.1022    0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4169    4.4228    0.0204 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5436    5.5026   -0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6209    2.7759    0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1649    1.4790    0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2797    1.2621   -0.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7195   -0.1687    0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9199   -0.7766   -1.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8622   -0.1652   -1.9922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1381   -0.1286   -1.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4529    1.2161   -1.2630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6090    1.2757   -0.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8957    2.6797   -0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0732    3.5854   -1.0338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7763    0.6969   -1.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1502   -0.4922   -0.6070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3225    0.3611   -2.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9200    1.4859   -3.3393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1730   -0.6361   -2.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7660   -1.8228   -2.0449 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3320   -0.9130    0.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1773   -2.2215    1.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3395   -3.1935    0.5251 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6143   -1.4384    2.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5174   -2.1009    3.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4355   -2.9964    2.8038 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3400   -3.6611    3.6141 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5749   -3.4673   -0.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1520   -5.1935   -0.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4227   -4.8130   -0.7152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5241   -2.7248   -0.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6185   -1.3831   -0.7168 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2104    0.0397    0.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5982    3.3809    0.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0847    6.4367    0.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1476    5.6103   -1.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6430    5.3854    0.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9126    3.5966   -0.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6233    1.6094   -1.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8528    1.9420    0.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6186   -0.1661    0.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1549   -1.8603   -1.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0447   -0.6832   -1.7673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2397   -0.6190   -0.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3844    0.6783    0.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8260    2.6255    0.5999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0751    2.9947    0.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0211    3.5143   -1.3313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6413    1.4115   -1.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1868   -0.3801    0.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1444   -0.1888   -3.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1997    1.2999   -3.9836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7112   -0.7971   -3.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3255   -2.0571   -1.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4190   -0.2477    1.8928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1749   -1.9982    1.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4761   -2.6287    2.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4464   -3.2513   -0.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9398   -0.7607    2.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5013   -1.9109    4.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3086   -3.4714    4.6069 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  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  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
 22 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 17 31  1  0
 31 32  1  0
 32 33  1  0
  5 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 36  3  1  0
 31  6  1  0
 15  7  1  0
 29 20  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  4 41  1  0
  6 42  1  0
  8 43  1  0
 10 44  1  0
 13 45  1  0
 13 46  1  0
 13 47  1  0
 14 48  1  0
 16 49  1  0
 16 50  1  0
 17 51  1  0
 18 52  1  0
 18 53  1  0
 20 54  1  0
 22 55  1  0
 23 56  1  0
 23 57  1  0
 24 58  1  0
 25 59  1  0
 26 60  1  0
 27 61  1  0
 28 62  1  0
 29 63  1  0
 30 64  1  0
 31 65  1  0
 32 66  1  0
 32 67  1  0
 33 68  1  0
 34 69  1  0
 35 70  1  0
 37 71  1  0
M  END
Download

PDB for HMDB0032907 (Isolariciresinol 9-O-beta-D-glucoside)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336  -0.770   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  -3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   0.000   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       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.667   4.620   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      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -4.001   6.930   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       2.667  -9.240   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      -5.335   4.620   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -5.335   1.540   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       5.335  -7.700   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       8.002   0.000   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
CONECT    1   34                                                            
CONECT    2   35                                                            
CONECT    3    4   12                                                       
CONECT    4    3   17                                                       
CONECT    5   13   14                                                       
CONECT    6   12   19                                                       
CONECT    7   13   20                                                       
CONECT    8   15   18                                                       
CONECT    9   16   27                                                       
CONECT   10   21   28                                                       
CONECT   11   14   36                                                       
CONECT   12    3    6   22                                                  
CONECT   13    5    7   15                                                  
CONECT   14    5   11   16                                                  
CONECT   15    8   13   22                                                  
CONECT   16    9   14   22                                                  
CONECT   17    4   19   29                                                  
CONECT   18    8   20   30                                                  
CONECT   19    6   17   34                                                  
CONECT   20    7   18   35                                                  
CONECT   21   10   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   17                                                            
CONECT   30   18                                                            
CONECT   31   23                                                            
CONECT   32   24                                                            
CONECT   33   25                                                            
CONECT   34    1   19                                                       
CONECT   35    2   20                                                       
CONECT   36   11   26                                                       
CONECT   37   21   26                                                       
MASTER        0    0    0    0    0    0    0    0   37    0   80    0
END
Download

3D PDB for HMDB0032907 (Isolariciresinol 9-O-beta-D-glucoside)

COMPND    HMDB0032907
HETATM    1  C1  UNL     1       5.435  -4.410  -0.432  1.00  0.00           C  
HETATM    2  O1  UNL     1       5.361  -4.116   0.948  1.00  0.00           O  
HETATM    3  C2  UNL     1       4.415  -3.202   1.439  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.533  -2.561   0.605  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.621  -1.666   1.167  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.657  -0.936   0.312  1.00  0.00           C  
HETATM    7  C6  UNL     1       2.123   0.483   0.234  1.00  0.00           C  
HETATM    8  C7  UNL     1       3.461   0.812   0.318  1.00  0.00           C  
HETATM    9  C8  UNL     1       3.909   2.114   0.249  1.00  0.00           C  
HETATM   10  O2  UNL     1       5.270   2.427   0.336  1.00  0.00           O  
HETATM   11  C9  UNL     1       2.959   3.102   0.090  1.00  0.00           C  
HETATM   12  O3  UNL     1       3.417   4.423   0.020  1.00  0.00           O  
HETATM   13  C10 UNL     1       2.544   5.503  -0.140  1.00  0.00           C  
HETATM   14  C11 UNL     1       1.621   2.776   0.005  1.00  0.00           C  
HETATM   15  C12 UNL     1       1.165   1.479   0.073  1.00  0.00           C  
HETATM   16  C13 UNL     1      -0.280   1.262  -0.028  1.00  0.00           C  
HETATM   17  C14 UNL     1      -0.719  -0.169   0.137  1.00  0.00           C  
HETATM   18  C15 UNL     1      -0.920  -0.777  -1.209  1.00  0.00           C  
HETATM   19  O4  UNL     1      -1.862  -0.165  -1.992  1.00  0.00           O  
HETATM   20  C16 UNL     1      -3.138  -0.129  -1.495  1.00  0.00           C  
HETATM   21  O5  UNL     1      -3.453   1.216  -1.263  1.00  0.00           O  
HETATM   22  C17 UNL     1      -4.609   1.276  -0.493  1.00  0.00           C  
HETATM   23  C18 UNL     1      -4.896   2.680  -0.011  1.00  0.00           C  
HETATM   24  O6  UNL     1      -5.073   3.585  -1.034  1.00  0.00           O  
HETATM   25  C19 UNL     1      -5.776   0.697  -1.235  1.00  0.00           C  
HETATM   26  O7  UNL     1      -6.150  -0.492  -0.607  1.00  0.00           O  
HETATM   27  C20 UNL     1      -5.322   0.361  -2.640  1.00  0.00           C  
HETATM   28  O8  UNL     1      -4.920   1.486  -3.339  1.00  0.00           O  
HETATM   29  C21 UNL     1      -4.173  -0.636  -2.478  1.00  0.00           C  
HETATM   30  O9  UNL     1      -4.766  -1.823  -2.045  1.00  0.00           O  
HETATM   31  C22 UNL     1       0.332  -0.913   0.979  1.00  0.00           C  
HETATM   32  C23 UNL     1      -0.177  -2.221   1.483  1.00  0.00           C  
HETATM   33  O10 UNL     1      -0.339  -3.193   0.525  1.00  0.00           O  
HETATM   34  C24 UNL     1       2.614  -1.438   2.515  1.00  0.00           C  
HETATM   35  C25 UNL     1       3.517  -2.101   3.331  1.00  0.00           C  
HETATM   36  C26 UNL     1       4.435  -2.996   2.804  1.00  0.00           C  
HETATM   37  O11 UNL     1       5.340  -3.661   3.614  1.00  0.00           O  
HETATM   38  H1  UNL     1       5.575  -3.467  -0.996  1.00  0.00           H  
HETATM   39  H2  UNL     1       6.152  -5.193  -0.669  1.00  0.00           H  
HETATM   40  H3  UNL     1       4.423  -4.813  -0.715  1.00  0.00           H  
HETATM   41  H4  UNL     1       3.524  -2.725  -0.443  1.00  0.00           H  
HETATM   42  H5  UNL     1       1.618  -1.383  -0.717  1.00  0.00           H  
HETATM   43  H6  UNL     1       4.210   0.040   0.443  1.00  0.00           H  
HETATM   44  H7  UNL     1       5.598   3.381   0.287  1.00  0.00           H  
HETATM   45  H8  UNL     1       3.085   6.437   0.121  1.00  0.00           H  
HETATM   46  H9  UNL     1       2.148   5.610  -1.172  1.00  0.00           H  
HETATM   47  H10 UNL     1       1.643   5.385   0.522  1.00  0.00           H  
HETATM   48  H11 UNL     1       0.913   3.597  -0.121  1.00  0.00           H  
HETATM   49  H12 UNL     1      -0.623   1.609  -1.049  1.00  0.00           H  
HETATM   50  H13 UNL     1      -0.853   1.942   0.666  1.00  0.00           H  
HETATM   51  H14 UNL     1      -1.619  -0.166   0.773  1.00  0.00           H  
HETATM   52  H15 UNL     1      -1.155  -1.860  -1.198  1.00  0.00           H  
HETATM   53  H16 UNL     1       0.045  -0.683  -1.767  1.00  0.00           H  
HETATM   54  H17 UNL     1      -3.240  -0.619  -0.489  1.00  0.00           H  
HETATM   55  H18 UNL     1      -4.384   0.678   0.435  1.00  0.00           H  
HETATM   56  H19 UNL     1      -5.826   2.626   0.600  1.00  0.00           H  
HETATM   57  H20 UNL     1      -4.075   2.995   0.658  1.00  0.00           H  
HETATM   58  H21 UNL     1      -6.021   3.514  -1.331  1.00  0.00           H  
HETATM   59  H22 UNL     1      -6.641   1.412  -1.282  1.00  0.00           H  
HETATM   60  H23 UNL     1      -6.187  -0.380   0.389  1.00  0.00           H  
HETATM   61  H24 UNL     1      -6.144  -0.189  -3.125  1.00  0.00           H  
HETATM   62  H25 UNL     1      -4.200   1.300  -3.984  1.00  0.00           H  
HETATM   63  H26 UNL     1      -3.711  -0.797  -3.475  1.00  0.00           H  
HETATM   64  H27 UNL     1      -4.325  -2.057  -1.168  1.00  0.00           H  
HETATM   65  H28 UNL     1       0.419  -0.248   1.893  1.00  0.00           H  
HETATM   66  H29 UNL     1      -1.175  -1.998   1.965  1.00  0.00           H  
HETATM   67  H30 UNL     1       0.476  -2.629   2.274  1.00  0.00           H  
HETATM   68  H31 UNL     1       0.446  -3.251  -0.069  1.00  0.00           H  
HETATM   69  H32 UNL     1       1.940  -0.761   2.987  1.00  0.00           H  
HETATM   70  H33 UNL     1       3.501  -1.911   4.404  1.00  0.00           H  
HETATM   71  H34 UNL     1       5.309  -3.471   4.607  1.00  0.00           H  
CONECT    1    2   38   39   40
CONECT    2    3
CONECT    3    4    4   36
CONECT    4    5   41
CONECT    5    6   34   34
CONECT    6    7   31   42
CONECT    7    8    8   15
CONECT    8    9   43
CONECT    9   10   11   11
CONECT   10   44
CONECT   11   12   14
CONECT   12   13
CONECT   13   45   46   47
CONECT   14   15   15   48
CONECT   15   16
CONECT   16   17   49   50
CONECT   17   18   31   51
CONECT   18   19   52   53
CONECT   19   20
CONECT   20   21   29   54
CONECT   21   22
CONECT   22   23   25   55
CONECT   23   24   56   57
CONECT   24   58
CONECT   25   26   27   59
CONECT   26   60
CONECT   27   28   29   61
CONECT   28   62
CONECT   29   30   63
CONECT   30   64
CONECT   31   32   65
CONECT   32   33   66   67
CONECT   33   68
CONECT   34   35   69
CONECT   35   36   36   70
CONECT   36   37
CONECT   37   71
END
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SMILES for HMDB0032907 (Isolariciresinol 9-O-beta-D-glucoside)

COC1=C(O)C=C2C(C(CO)C(COC3OC(CO)C(O)C(O)C3O)CC2=C1)C1=CC(OC)=C(O)C=C1
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INCHI for HMDB0032907 (Isolariciresinol 9-O-beta-D-glucoside)

InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(16(22)9-27)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Isolariciresinol 9-O-b-D-glucosideGenerator
Isolariciresinol 9-O-β-D-glucosideGenerator
(+)-Isolarisiresinol 2a-O-beta-D-glucopyranosideHMDB
Isolariciresinol 9-beta-D-glucopyranosideHMDB
Isolariciresinol 9-O-beta-D-glucopyranosideHMDB
Chemical FormulaC26H34O11
Average Molecular Weight522.5416
Monoisotopic Molecular Weight522.21011193
IUPAC Name2-{[6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional Name2-{[6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
CAS Registry Number63358-11-2
SMILES
COC1=C(O)C=C2C(C(CO)C(COC3OC(CO)C(O)C(O)C3O)CC2=C1)C1=CC(OC)=C(O)C=C1
InChI Identifier
InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(16(22)9-27)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3
InChI KeyBUQQDANPHQFSEK-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.
KingdomOrganic compounds
Super ClassLignans, neolignans and related compounds
ClassLignan glycosides
Sub ClassNot Available
Direct ParentLignan glycosides
Alternative Parents
Substituents
  • Lignan glycoside
  • 1-aryltetralin lignan
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Methoxyphenol
  • Tetralin
  • Anisole
  • Phenoxy compound
  • Phenol ether
  • Methoxybenzene
  • Phenol
  • Alkyl aryl ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Benzenoid
  • Oxane
  • Monosaccharide
  • Monocyclic benzene moiety
  • Secondary alcohol
  • Polyol
  • Organoheterocyclic compound
  • Oxacycle
  • Acetal
  • Ether
  • Primary alcohol
  • Alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
Role
Biological role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.38 g/LALOGPS
logP0.31ALOGPS
logP0.0096ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)9.84ChemAxon
pKa (Strongest Basic)-2.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area178.53 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity130.29 m³·mol⁻¹ChemAxon
Polarizability54.43 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+220.59931661259
DarkChem[M-H]-215.8631661259
DeepCCS[M+H]+221.28630932474
DeepCCS[M-H]-218.92830932474
DeepCCS[M-2H]-251.81330932474
DeepCCS[M+Na]+227.87630932474
AllCCS[M+H]+220.832859911
AllCCS[M+H-H2O]+219.132859911
AllCCS[M+NH4]+222.332859911
AllCCS[M+Na]+222.832859911
AllCCS[M-H]-214.032859911
AllCCS[M+Na-2H]-215.632859911
AllCCS[M+HCOO]-217.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Isolariciresinol 9-O-beta-D-glucosideCOC1=C(O)C=C2C(C(CO)C(COC3OC(CO)C(O)C(O)C3O)CC2=C1)C1=CC(OC)=C(O)C=C14953.2Standard polar33892256
Isolariciresinol 9-O-beta-D-glucosideCOC1=C(O)C=C2C(C(CO)C(COC3OC(CO)C(O)C(O)C3O)CC2=C1)C1=CC(OC)=C(O)C=C14393.9Standard non polar33892256
Isolariciresinol 9-O-beta-D-glucosideCOC1=C(O)C=C2C(C(CO)C(COC3OC(CO)C(O)C(O)C3O)CC2=C1)C1=CC(OC)=C(O)C=C14586.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Isolariciresinol 9-O-beta-D-glucoside,1TMS,isomer #1COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O)C3O)C2CO)=CC=C1O4565.0Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,1TMS,isomer #2COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O)C3O)C2CO[Si](C)(C)C)=CC=C1O4575.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,1TMS,isomer #3COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2CO)=CC=C1O4578.4Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,1TMS,isomer #4COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2CO)=CC=C1O4558.1Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,1TMS,isomer #5COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2CO)=CC=C1O4537.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,1TMS,isomer #6COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2CO)=CC=C1O4538.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,1TMS,isomer #7COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO)C(O)C(O)C1O)C24606.1Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TMS,isomer #1COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2CO)=CC=C1O4362.8Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TMS,isomer #10COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1O4289.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TMS,isomer #11COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(COC1OC(CO)C(O)C(O)C1O)C24382.8Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TMS,isomer #12COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2CO)=CC=C1O4387.1Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TMS,isomer #13COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2CO)=CC=C1O4351.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TMS,isomer #14COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2CO)=CC=C1O4370.0Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TMS,isomer #15COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C24414.1Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TMS,isomer #16COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2CO)=CC=C1O4341.2Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TMS,isomer #17COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2CO)=CC=C1O4342.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TMS,isomer #18COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C24414.0Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TMS,isomer #19COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2CO)=CC=C1O4354.2Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TMS,isomer #2COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2CO)=CC=C1O4362.0Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TMS,isomer #20COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C24363.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TMS,isomer #21COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C24387.8Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TMS,isomer #3COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2CO)=CC=C1O4312.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TMS,isomer #4COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2CO)=CC=C1O4335.1Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TMS,isomer #5COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O)C3O)C2CO[Si](C)(C)C)=CC=C1O4332.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TMS,isomer #6COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O)C3O)C2CO)=CC=C1O[Si](C)(C)C4422.2Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TMS,isomer #7COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2CO[Si](C)(C)C)=CC=C1O4330.0Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TMS,isomer #8COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2CO[Si](C)(C)C)=CC=C1O4311.9Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TMS,isomer #9COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2CO[Si](C)(C)C)=CC=C1O4274.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #1COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2CO)=CC=C1O4254.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #10COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2CO)=CC=C1O4211.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #11COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2CO[Si](C)(C)C)=CC=C1O4116.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #12COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2CO)=CC=C1O[Si](C)(C)C4226.1Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #13COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1O4132.1Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #14COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2CO)=CC=C1O[Si](C)(C)C4259.1Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #15COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O)C3O)C2CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C4222.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #16COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2CO[Si](C)(C)C)=CC=C1O4183.4Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #17COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2CO[Si](C)(C)C)=CC=C1O4140.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #18COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1O4167.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #19COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C24205.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #2COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2CO)=CC=C1O4208.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #20COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2CO[Si](C)(C)C)=CC=C1O4137.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #21COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1O4162.7Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #22COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C24201.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #23COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1O4145.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #24COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C24159.8Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #25COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C24182.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #26COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2CO)=CC=C1O4252.0Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #27COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2CO)=CC=C1O4333.0Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #28COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C24297.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #29COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2CO)=CC=C1O4259.4Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #3COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2CO)=CC=C1O4240.2Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #30COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C24249.9Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #31COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C24282.0Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #32COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2CO)=CC=C1O4254.9Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #33COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C24249.2Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #34COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C24268.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #35COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C24259.4Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #4COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2CO[Si](C)(C)C)=CC=C1O4164.8Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #5COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2CO)=CC=C1O[Si](C)(C)C4280.9Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #6COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2CO)=CC=C1O4202.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #7COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2CO)=CC=C1O4222.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #8COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2CO[Si](C)(C)C)=CC=C1O4156.9Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TMS,isomer #9COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2CO)=CC=C1O[Si](C)(C)C4288.7Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #1COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2CO)=CC=C1O4149.9Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #10COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C4099.8Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #11COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2CO)=CC=C1O4142.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #12COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2CO[Si](C)(C)C)=CC=C1O4030.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #13COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2CO)=CC=C1O[Si](C)(C)C4144.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #14COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1O4062.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #15COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2CO)=CC=C1O[Si](C)(C)C4175.1Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #16COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C4105.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #17COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1O4040.8Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #18COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2CO)=CC=C1O[Si](C)(C)C4158.8Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #19COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C4054.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #2COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2CO)=CC=C1O4231.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #20COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C4077.7Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #21COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2CO[Si](C)(C)C)=CC=C1O4083.7Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #22COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1O4170.4Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #23COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C24124.1Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #24COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1O4087.8Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #25COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C24071.4Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #26COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C24107.4Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #27COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1O4068.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #28COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C24063.0Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #29COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C24095.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #3COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2CO[Si](C)(C)C)=CC=C1O4092.0Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #30COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C24075.2Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #31COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2CO)=CC=C1O4267.2Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #32COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C24185.9Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #33COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C24266.8Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #34COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C24195.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #35COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C24188.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #4COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2CO)=CC=C1O[Si](C)(C)C4191.9Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #5COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2CO)=CC=C1O4159.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #6COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2CO[Si](C)(C)C)=CC=C1O4036.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #7COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2CO)=CC=C1O[Si](C)(C)C4140.2Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #8COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1O4076.1Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,4TMS,isomer #9COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2CO)=CC=C1O[Si](C)(C)C4179.2Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,5TMS,isomer #1COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2CO)=CC=C1O4173.9Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,5TMS,isomer #10COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C4026.7Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,5TMS,isomer #11COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1O3999.4Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,5TMS,isomer #12COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2CO)=CC=C1O[Si](C)(C)C4100.8Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,5TMS,isomer #13COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C3997.2Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,5TMS,isomer #14COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C4022.7Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,5TMS,isomer #15COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C4006.4Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,5TMS,isomer #16COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1O4100.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,5TMS,isomer #17COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C24039.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,5TMS,isomer #18COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C24101.1Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,5TMS,isomer #19COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C24037.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,5TMS,isomer #2COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2CO[Si](C)(C)C)=CC=C1O4012.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,5TMS,isomer #20COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C24021.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,5TMS,isomer #21COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C24199.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,5TMS,isomer #3COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2CO)=CC=C1O[Si](C)(C)C4092.9Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,5TMS,isomer #4COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1O4079.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,5TMS,isomer #5COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2CO)=CC=C1O[Si](C)(C)C4166.0Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,5TMS,isomer #6COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C4041.8Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,5TMS,isomer #7COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1O4013.2Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,5TMS,isomer #8COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2CO)=CC=C1O[Si](C)(C)C4102.7Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,5TMS,isomer #9COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C3983.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,1TBDMS,isomer #1COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O)C3O)C2CO)=CC=C1O4819.1Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,1TBDMS,isomer #2COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O)C3O)C2CO[Si](C)(C)C(C)(C)C)=CC=C1O4825.1Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,1TBDMS,isomer #3COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2CO)=CC=C1O4838.7Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,1TBDMS,isomer #4COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2CO)=CC=C1O4857.4Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,1TBDMS,isomer #5COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2CO)=CC=C1O4827.7Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,1TBDMS,isomer #6COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2CO)=CC=C1O4840.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,1TBDMS,isomer #7COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO)C(O)C(O)C1O)C24857.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TBDMS,isomer #1COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2CO)=CC=C1O4887.2Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TBDMS,isomer #10COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2CO[Si](C)(C)C(C)(C)C)=CC=C1O4816.8Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TBDMS,isomer #11COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(COC1OC(CO)C(O)C(O)C1O)C24910.8Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TBDMS,isomer #12COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2CO)=CC=C1O4917.0Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TBDMS,isomer #13COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2CO)=CC=C1O4881.1Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TBDMS,isomer #14COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2CO)=CC=C1O4900.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TBDMS,isomer #15COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C24933.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TBDMS,isomer #16COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C2CO)=CC=C1O4861.7Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TBDMS,isomer #17COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C2CO)=CC=C1O4879.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TBDMS,isomer #18COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C24936.8Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TBDMS,isomer #19COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C2CO)=CC=C1O4884.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TBDMS,isomer #2COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2CO)=CC=C1O4887.2Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TBDMS,isomer #20COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C24890.8Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TBDMS,isomer #21COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C24911.8Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TBDMS,isomer #3COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2CO)=CC=C1O4835.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TBDMS,isomer #4COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2CO)=CC=C1O4862.7Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TBDMS,isomer #5COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O)C3O)C2CO[Si](C)(C)C(C)(C)C)=CC=C1O4863.7Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TBDMS,isomer #6COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O)C3O)C2CO)=CC=C1O[Si](C)(C)C(C)(C)C4938.9Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TBDMS,isomer #7COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2CO[Si](C)(C)C(C)(C)C)=CC=C1O4857.7Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TBDMS,isomer #8COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2CO[Si](C)(C)C(C)(C)C)=CC=C1O4838.1Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,2TBDMS,isomer #9COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2CO[Si](C)(C)C(C)(C)C)=CC=C1O4799.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #1COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2CO)=CC=C1O4954.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #10COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C2CO)=CC=C1O4925.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #11COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2CO[Si](C)(C)C(C)(C)C)=CC=C1O4846.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #12COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2CO)=CC=C1O[Si](C)(C)C(C)(C)C4961.9Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #13COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2CO[Si](C)(C)C(C)(C)C)=CC=C1O4851.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #14COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2CO)=CC=C1O[Si](C)(C)C(C)(C)C4986.0Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #15COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O)C3O)C2CO[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C4969.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #16COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2CO[Si](C)(C)C(C)(C)C)=CC=C1O4907.0Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #17COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2CO[Si](C)(C)C(C)(C)C)=CC=C1O4884.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #18COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2CO[Si](C)(C)C(C)(C)C)=CC=C1O4884.7Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #19COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C24936.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #2COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2CO)=CC=C1O4914.7Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #20COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C2CO[Si](C)(C)C(C)(C)C)=CC=C1O4862.4Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #21COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C2CO[Si](C)(C)C(C)(C)C)=CC=C1O4879.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #22COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C24941.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #23COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C2CO[Si](C)(C)C(C)(C)C)=CC=C1O4884.0Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #24COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C24908.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #25COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C24916.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #26COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(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)C2CO)=CC=C1O4970.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #27COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(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)C2CO)=CC=C1O5034.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #28COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C25009.3Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #29COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(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)C2CO)=CC=C1O4976.0Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #3COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2CO)=CC=C1O4939.4Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #30COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C24970.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #31COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C24993.8Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #32COC1=CC(C2C3=CC(O)=C(OC)C=C3CC(COC3OC(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)C2CO)=CC=C1O4946.1Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #33COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C24963.1Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #34COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C24983.0Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #35COC1=CC2=C(C=C1O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C24990.2Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #4COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2CO[Si](C)(C)C(C)(C)C)=CC=C1O4884.5Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #5COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2CO)=CC=C1O[Si](C)(C)C(C)(C)C5001.2Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #6COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C2CO)=CC=C1O4900.2Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #7COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C2CO)=CC=C1O4914.6Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #8COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2CO[Si](C)(C)C(C)(C)C)=CC=C1O4876.2Semi standard non polar33892256
Isolariciresinol 9-O-beta-D-glucoside,3TBDMS,isomer #9COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2CO)=CC=C1O[Si](C)(C)C(C)(C)C5015.5Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol 9-O-beta-D-glucoside GC-MS (Non-derivatized) - 70eV, Positivesplash10-0c03-8502940000-05daec38a4d1b7f09e612017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol 9-O-beta-D-glucoside GC-MS (2 TMS) - 70eV, Positivesplash10-0udi-3620209000-1fcda5a53f56a17b0c492017-10-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isolariciresinol 9-O-beta-D-glucoside 10V, Positive-QTOFsplash10-0abc-0108190000-87c0237f773555b7cc682016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isolariciresinol 9-O-beta-D-glucoside 20V, Positive-QTOFsplash10-0006-0209110000-75a409d830142dcba0582016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isolariciresinol 9-O-beta-D-glucoside 40V, Positive-QTOFsplash10-0006-3319300000-6fdbeec73946be4a942b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isolariciresinol 9-O-beta-D-glucoside 10V, Negative-QTOFsplash10-00di-1203190000-b902c7e0e5300048d1342016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isolariciresinol 9-O-beta-D-glucoside 20V, Negative-QTOFsplash10-0nvi-5906450000-e146daf7720993d173f32016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isolariciresinol 9-O-beta-D-glucoside 40V, Negative-QTOFsplash10-0a4l-9205100000-5cb16cc9f0d4fb485fce2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isolariciresinol 9-O-beta-D-glucoside 10V, Negative-QTOFsplash10-00dl-0106090000-44ae8a8183dc07719dc32021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isolariciresinol 9-O-beta-D-glucoside 20V, Negative-QTOFsplash10-002f-2009000000-11598db68aa25a4d8f222021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isolariciresinol 9-O-beta-D-glucoside 40V, Negative-QTOFsplash10-056u-3019320000-7d2befb52b9347d2b19f2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isolariciresinol 9-O-beta-D-glucoside 10V, Positive-QTOFsplash10-0006-0009000000-33940e39907ac24fc8352021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isolariciresinol 9-O-beta-D-glucoside 20V, Positive-QTOFsplash10-0006-0109000000-fdf78f2fb084f5fe1f7b2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isolariciresinol 9-O-beta-D-glucoside 40V, Positive-QTOFsplash10-004i-1209100000-ebae6c1a9e928c5db3f52021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB010890
KNApSAcK IDC00032565
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound85210374
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .