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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 18:31:54 UTC

Update Date

2022-03-07 02:53:51 UTC

HMDB ID

HMDB0033770

Secondary Accession Numbers

HMDB33770

Metabolite Identification

Common Name

7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone

Description

7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone has been detected, but not quantified in, a few different foods, such as alcoholic beverages, herbs and spices, and root vegetables. This could make 7-hydroxy-3-methoxy-1-primeverosyloxyxanthone a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone.

Structure

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


  Mrv0541 05061307212D          

 39 43  0  0  0  0            999 V2000
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M  END

HMDB0033770
     RDKit          3D
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone
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M  END


  Mrv0541 05061307212D          

 39 43  0  0  0  0            999 V2000
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 24 22  1  0  0  0  0
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 26  9  1  0  0  0  0
 27 12  1  0  0  0  0
 28 18  2  0  0  0  0
 29 19  1  0  0  0  0
 30 20  1  0  0  0  0
 31 21  1  0  0  0  0
 32 22  1  0  0  0  0
 33 23  1  0  0  0  0
 34  1  1  0  0  0  0
 34 10  1  0  0  0  0
 35  7  1  0  0  0  0
 35 24  1  0  0  0  0
 36  8  1  0  0  0  0
 36 24  1  0  0  0  0
 37 13  1  0  0  0  0
 37 14  1  0  0  0  0
 38 15  1  0  0  0  0
 38 25  1  0  0  0  0
 39 16  1  0  0  0  0
 39 25  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0033770

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=CC2=C(C(=O)C3=C(O2)C=CC(O)=C3)C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C25H28O14/c1-34-10-5-14-17(18(28)11-4-9(26)2-3-13(11)37-14)15(6-10)38-25-23(33)21(31)20(30)16(39-25)8-36-24-22(32)19(29)12(27)7-35-24/h2-6,12,16,19-27,29-33H,7-8H2,1H3

> <INCHI_KEY>
MWZPGBNWDUPMFG-UHFFFAOYSA-N

> <FORMULA>
C25H28O14

> <MOLECULAR_WEIGHT>
552.4814

> <EXACT_MASS>
552.147905604

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
53.82805467029566

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7-hydroxy-3-methoxy-1-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-9H-xanthen-9-one

> <ALOGPS_LOGP>
-0.47

> <JCHEM_LOGP>
-1.2137304856666664

> <ALOGPS_LOGS>
-2.19

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.92305681708985

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.09574291581378

> <JCHEM_PKA_STRONGEST_BASIC>
-3.526580404084756

> <JCHEM_POLAR_SURFACE_AREA>
214.05999999999995

> <JCHEM_REFRACTIVITY>
125.83649999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.61e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7-hydroxy-3-methoxy-1-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]xanthen-9-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0033770
     RDKit          3D
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone
 67 71  0  0  0  0  0  0  0  0999 V2000
   -5.1412    4.2103    3.8368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0694    3.4940    3.3265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0737    2.5211    2.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8949    1.9214    1.9894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8313    0.9122    1.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6861    0.4071    0.7161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5337   -0.1029    0.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4247    0.7755   -0.1437 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7073    0.3809    0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6738    0.8595   -0.9933 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9337    0.3992   -0.6151 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9245    0.7376   -1.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8432    1.5788   -0.8537 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3883    0.9558    0.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3883   -0.0769   -0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0647   -0.6989    0.7712 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5590   -1.1061   -1.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4689   -1.9161   -1.7224 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6816   -0.4337   -2.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5105    0.0124   -3.0763 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9278   -1.1019    0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8214   -1.7767   -0.9862 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0940   -1.7074    1.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8474   -2.0365    2.4332 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1121   -0.6461    1.7266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9433   -1.1436    2.4895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0312    0.5426    0.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0640   -0.4326   -0.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0139   -1.0114   -0.9340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2804   -0.7720   -1.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3198   -1.7607   -2.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5189   -2.0987   -2.6651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5831   -3.0810   -3.6494 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6826   -1.4770   -2.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6257   -0.5050   -1.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4143   -0.1467   -0.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3341    0.7670    0.2079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2175    1.1355    0.7812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2459    2.1328    1.7622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1410    3.8046    3.6198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0893    5.2392    3.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0444    4.4065    4.9451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9896    2.2441    2.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4819   -0.9963   -0.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0742    0.8657    1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7149    1.9672   -1.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4423    0.4286   -1.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5011    1.3082   -2.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9783    1.6948    0.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6429    0.4429    0.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0938    0.3935   -0.9584 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0384   -0.4876    0.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9983   -1.7346   -0.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1164   -2.8267   -1.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9502   -1.1756   -2.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -0.7360   -3.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0001   -1.2297    0.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3950   -1.2968   -1.7234 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5238   -2.5523    0.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2092   -2.9506    2.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5660    0.2134    2.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5193   -1.7362    3.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3965   -2.2293   -2.4001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7969   -3.5794   -3.9962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6433   -1.7590   -2.7249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5201   -0.0038   -0.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1925    2.5732    2.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  9 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
  5 27  2  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 38 39  2  0
 39  3  1  0
 25  7  1  0
 38 27  1  0
 19 12  1  0
 36 30  1  0
  1 40  1  0
  1 41  1  0
  1 42  1  0
  4 43  1  0
  7 44  1  0
  9 45  1  0
 10 46  1  0
 10 47  1  0
 12 48  1  0
 14 49  1  0
 14 50  1  0
 15 51  1  0
 16 52  1  0
 17 53  1  0
 18 54  1  0
 19 55  1  0
 20 56  1  0
 21 57  1  0
 22 58  1  0
 23 59  1  0
 24 60  1  0
 25 61  1  0
 26 62  1  0
 31 63  1  0
 33 64  1  0
 34 65  1  0
 35 66  1  0
 39 67  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       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -8.002   1.540   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -8.002   0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -5.335   0.000   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      10.669   1.540   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -9.336   2.310   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       0.000   4.620   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -5.335   1.540   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       5.335   4.620   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
CONECT    1   34                                                            
CONECT    2    3    9                                                       
CONECT    3    2   13                                                       
CONECT    4    9   11                                                       
CONECT    5   10   14                                                       
CONECT    6   10   15                                                       
CONECT    7   12   35                                                       
CONECT    8   16   36                                                       
CONECT    9    2    4   26                                                  
CONECT   10    5    6   34                                                  
CONECT   11    4   13   18                                                  
CONECT   12    7   19   27                                                  
CONECT   13    3   11   37                                                  
CONECT   14    5   17   37                                                  
CONECT   15    6   17   38                                                  
CONECT   16    8   20   39                                                  
CONECT   17   14   15   18                                                  
CONECT   18   11   17   28                                                  
CONECT   19   12   22   29                                                  
CONECT   20   16   21   30                                                  
CONECT   21   20   23   31                                                  
CONECT   22   19   24   32                                                  
CONECT   23   21   25   33                                                  
CONECT   24   22   35   36                                                  
CONECT   25   23   38   39                                                  
CONECT   26    9                                                            
CONECT   27   12                                                            
CONECT   28   18                                                            
CONECT   29   19                                                            
CONECT   30   20                                                            
CONECT   31   21                                                            
CONECT   32   22                                                            
CONECT   33   23                                                            
CONECT   34    1   10                                                       
CONECT   35    7   24                                                       
CONECT   36    8   24                                                       
CONECT   37   13   14                                                       
CONECT   38   15   25                                                       
CONECT   39   16   25                                                       
MASTER        0    0    0    0    0    0    0    0   39    0   86    0
END

COMPND    HMDB0033770
HETATM    1  C1  UNL     1      -5.141   4.210   3.837  1.00  0.00           C  
HETATM    2  O1  UNL     1      -4.069   3.494   3.327  1.00  0.00           O  
HETATM    3  C2  UNL     1      -4.074   2.521   2.364  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.895   1.921   1.989  1.00  0.00           C  
HETATM    5  C4  UNL     1      -2.831   0.912   1.004  1.00  0.00           C  
HETATM    6  O2  UNL     1      -1.686   0.407   0.716  1.00  0.00           O  
HETATM    7  C5  UNL     1      -0.534  -0.103   0.425  1.00  0.00           C  
HETATM    8  O3  UNL     1       0.425   0.776  -0.144  1.00  0.00           O  
HETATM    9  C6  UNL     1       1.707   0.381   0.100  1.00  0.00           C  
HETATM   10  C7  UNL     1       2.674   0.859  -0.993  1.00  0.00           C  
HETATM   11  O4  UNL     1       3.934   0.399  -0.615  1.00  0.00           O  
HETATM   12  C8  UNL     1       4.924   0.738  -1.506  1.00  0.00           C  
HETATM   13  O5  UNL     1       5.843   1.579  -0.854  1.00  0.00           O  
HETATM   14  C9  UNL     1       6.388   0.956   0.247  1.00  0.00           C  
HETATM   15  C10 UNL     1       7.388  -0.077  -0.269  1.00  0.00           C  
HETATM   16  O6  UNL     1       8.065  -0.699   0.771  1.00  0.00           O  
HETATM   17  C11 UNL     1       6.559  -1.106  -1.018  1.00  0.00           C  
HETATM   18  O7  UNL     1       7.469  -1.916  -1.722  1.00  0.00           O  
HETATM   19  C12 UNL     1       5.682  -0.434  -2.048  1.00  0.00           C  
HETATM   20  O8  UNL     1       6.510   0.012  -3.076  1.00  0.00           O  
HETATM   21  C13 UNL     1       1.928  -1.102   0.202  1.00  0.00           C  
HETATM   22  O9  UNL     1       1.821  -1.777  -0.986  1.00  0.00           O  
HETATM   23  C14 UNL     1       1.094  -1.707   1.316  1.00  0.00           C  
HETATM   24  O10 UNL     1       1.847  -2.036   2.433  1.00  0.00           O  
HETATM   25  C15 UNL     1       0.112  -0.646   1.727  1.00  0.00           C  
HETATM   26  O11 UNL     1      -0.943  -1.144   2.490  1.00  0.00           O  
HETATM   27  C16 UNL     1      -4.031   0.543   0.416  1.00  0.00           C  
HETATM   28  C17 UNL     1      -4.064  -0.433  -0.557  1.00  0.00           C  
HETATM   29  O12 UNL     1      -3.014  -1.011  -0.934  1.00  0.00           O  
HETATM   30  C18 UNL     1      -5.280  -0.772  -1.120  1.00  0.00           C  
HETATM   31  C19 UNL     1      -5.320  -1.761  -2.107  1.00  0.00           C  
HETATM   32  C20 UNL     1      -6.519  -2.099  -2.665  1.00  0.00           C  
HETATM   33  O13 UNL     1      -6.583  -3.081  -3.649  1.00  0.00           O  
HETATM   34  C21 UNL     1      -7.683  -1.477  -2.266  1.00  0.00           C  
HETATM   35  C22 UNL     1      -7.626  -0.505  -1.293  1.00  0.00           C  
HETATM   36  C23 UNL     1      -6.414  -0.147  -0.712  1.00  0.00           C  
HETATM   37  O14 UNL     1      -6.334   0.767   0.208  1.00  0.00           O  
HETATM   38  C24 UNL     1      -5.218   1.136   0.781  1.00  0.00           C  
HETATM   39  C25 UNL     1      -5.246   2.133   1.762  1.00  0.00           C  
HETATM   40  H1  UNL     1      -6.141   3.805   3.620  1.00  0.00           H  
HETATM   41  H2  UNL     1      -5.089   5.239   3.386  1.00  0.00           H  
HETATM   42  H3  UNL     1      -5.044   4.407   4.945  1.00  0.00           H  
HETATM   43  H4  UNL     1      -1.990   2.244   2.477  1.00  0.00           H  
HETATM   44  H5  UNL     1      -0.482  -0.996  -0.275  1.00  0.00           H  
HETATM   45  H6  UNL     1       2.074   0.866   1.031  1.00  0.00           H  
HETATM   46  H7  UNL     1       2.715   1.967  -1.022  1.00  0.00           H  
HETATM   47  H8  UNL     1       2.442   0.429  -1.973  1.00  0.00           H  
HETATM   48  H9  UNL     1       4.501   1.308  -2.361  1.00  0.00           H  
HETATM   49  H10 UNL     1       6.978   1.695   0.832  1.00  0.00           H  
HETATM   50  H11 UNL     1       5.643   0.443   0.889  1.00  0.00           H  
HETATM   51  H12 UNL     1       8.094   0.393  -0.958  1.00  0.00           H  
HETATM   52  H13 UNL     1       9.038  -0.488   0.783  1.00  0.00           H  
HETATM   53  H14 UNL     1       5.998  -1.735  -0.307  1.00  0.00           H  
HETATM   54  H15 UNL     1       7.116  -2.827  -1.856  1.00  0.00           H  
HETATM   55  H16 UNL     1       4.950  -1.176  -2.432  1.00  0.00           H  
HETATM   56  H17 UNL     1       6.704  -0.736  -3.706  1.00  0.00           H  
HETATM   57  H18 UNL     1       3.000  -1.230   0.536  1.00  0.00           H  
HETATM   58  H19 UNL     1       1.395  -1.297  -1.723  1.00  0.00           H  
HETATM   59  H20 UNL     1       0.524  -2.552   0.898  1.00  0.00           H  
HETATM   60  H21 UNL     1       2.209  -2.951   2.287  1.00  0.00           H  
HETATM   61  H22 UNL     1       0.566   0.213   2.239  1.00  0.00           H  
HETATM   62  H23 UNL     1      -0.519  -1.736   3.175  1.00  0.00           H  
HETATM   63  H24 UNL     1      -4.397  -2.229  -2.400  1.00  0.00           H  
HETATM   64  H25 UNL     1      -5.797  -3.579  -3.996  1.00  0.00           H  
HETATM   65  H26 UNL     1      -8.643  -1.759  -2.725  1.00  0.00           H  
HETATM   66  H27 UNL     1      -8.520  -0.004  -0.963  1.00  0.00           H  
HETATM   67  H28 UNL     1      -6.193   2.573   2.022  1.00  0.00           H  
CONECT    1    2   40   41   42
CONECT    2    3
CONECT    3    4    4   39
CONECT    4    5   43
CONECT    5    6   27   27
CONECT    6    7
CONECT    7    8   25   44
CONECT    8    9
CONECT    9   10   21   45
CONECT   10   11   46   47
CONECT   11   12
CONECT   12   13   19   48
CONECT   13   14
CONECT   14   15   49   50
CONECT   15   16   17   51
CONECT   16   52
CONECT   17   18   19   53
CONECT   18   54
CONECT   19   20   55
CONECT   20   56
CONECT   21   22   23   57
CONECT   22   58
CONECT   23   24   25   59
CONECT   24   60
CONECT   25   26   61
CONECT   26   62
CONECT   27   28   38
CONECT   28   29   29   30
CONECT   30   31   31   36
CONECT   31   32   63
CONECT   32   33   34   34
CONECT   33   64
CONECT   34   35   65
CONECT   35   36   36   66
CONECT   36   37
CONECT   37   38
CONECT   38   39   39
CONECT   39   67
END

HMDB0033770
     RDKit          3D
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone
 67 71  0  0  0  0  0  0  0  0999 V2000
   -5.1412    4.2103    3.8368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0694    3.4940    3.3265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0737    2.5211    2.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8949    1.9214    1.9894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8313    0.9122    1.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6861    0.4071    0.7161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5337   -0.1029    0.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4247    0.7755   -0.1437 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7073    0.3809    0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6738    0.8595   -0.9933 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9337    0.3992   -0.6151 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9245    0.7376   -1.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8432    1.5788   -0.8537 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3883    0.9558    0.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3883   -0.0769   -0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0647   -0.6989    0.7712 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5590   -1.1061   -1.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4689   -1.9161   -1.7224 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6816   -0.4337   -2.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5105    0.0124   -3.0763 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9278   -1.1019    0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8214   -1.7767   -0.9862 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0940   -1.7074    1.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8474   -2.0365    2.4332 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1121   -0.6461    1.7266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9433   -1.1436    2.4895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0312    0.5426    0.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0640   -0.4326   -0.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0139   -1.0114   -0.9340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2804   -0.7720   -1.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3198   -1.7607   -2.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5189   -2.0987   -2.6651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5831   -3.0810   -3.6494 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6826   -1.4770   -2.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6257   -0.5050   -1.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4143   -0.1467   -0.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3341    0.7670    0.2079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2175    1.1355    0.7812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2459    2.1328    1.7622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1410    3.8046    3.6198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0893    5.2392    3.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0444    4.4065    4.9451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9896    2.2441    2.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4819   -0.9963   -0.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0742    0.8657    1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7149    1.9672   -1.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4423    0.4286   -1.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5011    1.3082   -2.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9783    1.6948    0.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6429    0.4429    0.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0938    0.3935   -0.9584 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0384   -0.4876    0.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9983   -1.7346   -0.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1164   -2.8267   -1.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9502   -1.1756   -2.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -0.7360   -3.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0001   -1.2297    0.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3950   -1.2968   -1.7234 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5238   -2.5523    0.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2092   -2.9506    2.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5660    0.2134    2.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5193   -1.7362    3.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3965   -2.2293   -2.4001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7969   -3.5794   -3.9962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6433   -1.7590   -2.7249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5201   -0.0038   -0.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1925    2.5732    2.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  9 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
  5 27  2  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 38 39  2  0
 39  3  1  0
 25  7  1  0
 38 27  1  0
 19 12  1  0
 36 30  1  0
  1 40  1  0
  1 41  1  0
  1 42  1  0
  4 43  1  0
  7 44  1  0
  9 45  1  0
 10 46  1  0
 10 47  1  0
 12 48  1  0
 14 49  1  0
 14 50  1  0
 15 51  1  0
 16 52  1  0
 17 53  1  0
 18 54  1  0
 19 55  1  0
 20 56  1  0
 21 57  1  0
 22 58  1  0
 23 59  1  0
 24 60  1  0
 25 61  1  0
 26 62  1  0
 31 63  1  0
 33 64  1  0
 34 65  1  0
 35 66  1  0
 39 67  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₅H₂₈O₁₄

Average Molecular Weight

552.4814

Monoisotopic Molecular Weight

552.147905604

IUPAC Name

7-hydroxy-3-methoxy-1-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-9H-xanthen-9-one

Traditional Name

7-hydroxy-3-methoxy-1-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]xanthen-9-one

CAS Registry Number

85754-76-3

SMILES

COC1=CC2=C(C(=O)C3=C(O2)C=CC(O)=C3)C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=C1

InChI Identifier

InChI=1S/C25H28O14/c1-34-10-5-14-17(18(28)11-4-9(26)2-3-13(11)37-14)15(6-10)38-25-23(33)21(31)20(30)16(39-25)8-36-24-22(32)19(29)12(27)7-35-24/h2-6,12,16,19-27,29-33H,7-8H2,1H3

InChI Key

MWZPGBNWDUPMFG-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Xanthones

Alternative Parents

Substituents

Phenolic glycoside
Xanthone
Chromone
Disaccharide
Glycosyl compound
O-glycosyl compound
Anisole
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Pyran
Oxane
Benzenoid
Heteroaromatic compound
Vinylogous ester
Secondary alcohol
Acetal
Polyol
Ether
Oxacycle
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0033770)
Cytoplasm (HMDB: HMDB0033770)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0033770)

Source

Exogenous

Food

Food (HMDB: HMDB0033770)

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Vegetable

Root vegetable

Root vegetables (FooDB: FOOD00873)

Beverage

Alcoholic beverage

Alcoholic beverages (FooDB: FOOD00854)

Endogenous

Plant

Plant (HMDB: HMDB0033770)

Not Available

Nutrient (HMDB: HMDB0033770)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	259 - 260 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	3.61 g/L	ALOGPS
logP	-0.47	ALOGPS
logP	-1.2	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	9.1	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	214.06 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	125.84 m³·mol⁻¹	ChemAxon
Polarizability	53.83 Å³	ChemAxon
Number of Rings	5	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]+	223.606	31661259
DarkChem	[M-H]-	217.984	31661259
DeepCCS	[M+H]+	217.739	30932474
DeepCCS	[M-H]-	215.344	30932474
DeepCCS	[M-2H]-	248.228	30932474
DeepCCS	[M+Na]+	223.652	30932474
AllCCS	[M+H]+	222.2	32859911
AllCCS	[M+H-H2O]+	220.6	32859911
AllCCS	[M+NH4]+	223.6	32859911
AllCCS	[M+Na]+	224.0	32859911
AllCCS	[M-H]-	215.6	32859911
AllCCS	[M+Na-2H]-	217.1	32859911
AllCCS	[M+HCOO]-	218.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone	COC1=CC2=C(C(=O)C3=C(O2)C=CC(O)=C3)C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=C1	4986.9	Standard polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone	COC1=CC2=C(C(=O)C3=C(O2)C=CC(O)=C3)C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=C1	4570.5	Standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone	COC1=CC2=C(C(=O)C3=C(O2)C=CC(O)=C3)C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=C1	5255.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,1TMS,isomer #1	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	5015.8	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,1TMS,isomer #2	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O)C(O)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5001.5	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,1TMS,isomer #3	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4975.5	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,1TMS,isomer #4	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4984.3	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,1TMS,isomer #5	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4983.8	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,1TMS,isomer #6	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4981.3	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,1TMS,isomer #7	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4987.6	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TMS,isomer #1	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O)C(O)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4888.6	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TMS,isomer #10	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4844.4	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TMS,isomer #11	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4866.0	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TMS,isomer #12	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4821.4	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TMS,isomer #13	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4796.1	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TMS,isomer #14	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4784.0	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TMS,isomer #15	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4809.4	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TMS,isomer #16	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4823.3	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TMS,isomer #17	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4805.5	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TMS,isomer #18	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4840.4	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TMS,isomer #19	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4846.9	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TMS,isomer #2	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4825.6	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TMS,isomer #20	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4868.1	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TMS,isomer #21	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4868.7	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TMS,isomer #3	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4841.2	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TMS,isomer #4	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4874.6	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TMS,isomer #5	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4866.5	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TMS,isomer #6	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4886.0	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TMS,isomer #7	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4854.7	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TMS,isomer #8	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4855.7	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TMS,isomer #9	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4852.4	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #1	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4699.0	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #10	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4690.3	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #11	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4664.3	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #12	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4712.9	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #13	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4727.1	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #14	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4752.6	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #15	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4742.7	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #16	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4782.6	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #17	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4704.6	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #18	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4680.9	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #19	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4724.4	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #2	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4706.9	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #20	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4725.0	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #21	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4703.8	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #22	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4743.8	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #23	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4726.1	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #24	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4759.6	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #25	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4744.0	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #26	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4672.9	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #27	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4653.4	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #28	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4693.8	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #29	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4656.7	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #3	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4733.9	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #30	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4685.4	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #31	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4673.0	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #32	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4687.9	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #33	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4717.1	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #34	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4710.5	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #35	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4786.9	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #4	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4708.2	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #5	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4751.6	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #6	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4677.2	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #7	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4650.5	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #8	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4626.8	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TMS,isomer #9	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4671.0	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #1	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4620.1	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #10	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4609.2	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #11	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4536.8	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #12	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4496.6	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #13	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4562.1	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #14	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4498.4	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #15	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4531.7	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #16	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4516.3	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #17	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4557.3	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #18	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4582.8	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #19	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4578.1	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #2	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4537.8	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #20	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4670.5	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #21	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4664.9	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #22	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4615.9	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #23	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4689.7	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #24	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4569.3	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #25	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4610.7	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #26	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4594.8	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #27	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4612.2	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #28	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4645.4	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #29	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4638.1	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #3	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4499.0	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #30	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4697.8	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #31	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4563.7	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #32	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4599.3	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #33	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4590.1	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #34	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4605.0	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #35	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	4667.8	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #4	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4561.9	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #5	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4567.7	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #6	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4531.6	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #7	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4597.2	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #8	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4589.2	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,4TMS,isomer #9	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=CC(O[Si](C)(C)C)=CC=C3OC2=C1	4624.3	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,1TBDMS,isomer #1	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3OC2=C1	5184.4	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,1TBDMS,isomer #2	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5230.3	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,1TBDMS,isomer #3	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5207.1	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,1TBDMS,isomer #4	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5209.5	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,1TBDMS,isomer #5	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5204.1	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,1TBDMS,isomer #6	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5208.0	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,1TBDMS,isomer #7	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5210.9	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TBDMS,isomer #1	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3OC2=C1	5290.0	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TBDMS,isomer #10	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5288.9	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TBDMS,isomer #11	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5293.4	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TBDMS,isomer #12	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5257.1	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TBDMS,isomer #13	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5232.7	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TBDMS,isomer #14	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5233.5	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TBDMS,isomer #15	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5236.5	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TBDMS,isomer #16	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5231.1	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TBDMS,isomer #17	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5235.1	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TBDMS,isomer #18	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5241.5	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TBDMS,isomer #19	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5284.1	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TBDMS,isomer #2	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3OC2=C1	5246.2	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TBDMS,isomer #20	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5295.6	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TBDMS,isomer #21	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5292.0	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TBDMS,isomer #3	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3OC2=C1	5233.3	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TBDMS,isomer #4	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3OC2=C1	5271.9	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TBDMS,isomer #5	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3OC2=C1	5277.5	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TBDMS,isomer #6	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3OC2=C1	5275.8	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TBDMS,isomer #7	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5282.9	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TBDMS,isomer #8	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5285.5	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,2TBDMS,isomer #9	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5285.2	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #1	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3OC2=C1	5346.8	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #10	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3OC2=C1	5311.5	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #11	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3OC2=C1	5318.3	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #12	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3OC2=C1	5318.5	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #13	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3OC2=C1	5382.3	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #14	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3OC2=C1	5390.2	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #15	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3OC2=C1	5390.4	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #16	COC1=CC(OC2OC(COC3OCC(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(O)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5379.6	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #17	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5323.7	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #18	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5321.2	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #19	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5334.6	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #2	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3OC2=C1	5345.5	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #20	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5326.6	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #21	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5321.9	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #22	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5340.7	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #23	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5372.9	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #24	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5392.3	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #25	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5383.2	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #26	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5297.4	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #27	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5300.5	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #28	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5310.4	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #29	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5296.7	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #3	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3OC2=C1	5377.2	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #30	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5305.9	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #31	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5301.8	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #32	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5298.6	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #33	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5317.0	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #34	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5312.2	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #35	COC1=CC(OC2OC(COC3OCC(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O)=CC=C3OC2=C1	5413.4	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #4	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3OC2=C1	5377.9	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #5	COC1=CC(OC2OC(COC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3OC2=C1	5382.8	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #6	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3OC2=C1	5335.0	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #7	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3OC2=C1	5314.7	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #8	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C2C(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3OC2=C1	5320.9	Semi standard non polar	33892256
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,3TBDMS,isomer #9	COC1=CC(OC2OC(COC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=CC=C3OC2=C1	5319.2	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (Non-derivatized) - 70eV, Positive	splash10-008i-4462690000-b8ab25f3e19ce8894927	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (2 TMS) - 70eV, Positive	splash10-01si-3332119000-1ef3a1109c986b0af761	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS ("7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone 10V, Positive-QTOF	splash10-0pbi-0190180000-bb81eca8165c5ee99d1d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone 20V, Positive-QTOF	splash10-0a4i-0190100000-efa4d4ff33d5e9af81bd	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone 40V, Positive-QTOF	splash10-0a4i-1690000000-3bf8d226dbc7d494aa95	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone 10V, Negative-QTOF	splash10-0zgi-2580290000-818399f2040370adaf91	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone 20V, Negative-QTOF	splash10-0a59-1690120000-32d1e07f391eee9bb737	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone 40V, Negative-QTOF	splash10-0a4i-3490000000-3d2d99b3447a34631b82	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone 10V, Positive-QTOF	splash10-0a4i-0090110000-12e52d595915ca50682c	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone 20V, Positive-QTOF	splash10-0a4i-0090000000-646970e69dd5f781405a	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone 40V, Positive-QTOF	splash10-052b-2960100000-70d7c8431dbbae4d5394	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone 10V, Negative-QTOF	splash10-0udi-0110290000-526a1486a4e2be3f72aa	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone 20V, Negative-QTOF	splash10-0pvi-2231900000-3e0cdd9d29326c333744	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone 40V, Negative-QTOF	splash10-056u-3290100000-d7dc506e6c56f342c872	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB011920

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

14162678

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 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone (HMDB0033770)

MOL for HMDB0033770 (7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone)

3D MOL for HMDB0033770 (7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone)

3D SDF for HMDB0033770 (7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone)

3D-SDF for HMDB0033770 (7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone)

PDB for HMDB0033770 (7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone)

3D PDB for HMDB0033770 (7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone)

SMILES for HMDB0033770 (7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone)

INCHI for HMDB0033770 (7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone)

Structure for HMDB0033770 (7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone)

3D Structure for HMDB0033770 (7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra