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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 19:31:25 UTC

Update Date

2022-03-07 02:54:11 UTC

HMDB ID

HMDB0034634

Secondary Accession Numbers

HMDB34634

Metabolite Identification

Common Name

3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside]

Description

3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] has been detected, but not quantified in, fruits. This could make 3'-prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside].

Structure

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


  Mrv0541 05061307582D          

 46 50  0  0  0  0            999 V2000
    8.5737    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8592   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 45 21  1  0  0  0  0
 45 22  1  0  0  0  0
 46 23  1  0  0  0  0
 46 32  1  0  0  0  0
M  END

HMDB0034634
     RDKit          3D
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside]
 84 88  0  0  0  0  0  0  0  0999 V2000
   11.5818   -2.4940    0.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0521   -1.1350   -0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8423   -1.0494   -0.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv0541 05061307582D          

 46 50  0  0  0  0            999 V2000
    8.5737    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5724   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  7  6  1  0  0  0  0
 13  1  1  0  0  0  0
 13  2  1  0  0  0  0
 13  4  2  0  0  0  0
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 46 32  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0034634

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(O)C(CC=C(C)C)=C3)C(O)C(O)C2O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C32H38O14/c1-13(2)4-5-15-8-16(6-7-18(15)33)21-11-20(35)24-19(34)9-17(10-22(24)45-21)44-32-30(41)28(39)26(37)23(46-32)12-42-31-29(40)27(38)25(36)14(3)43-31/h4,6-11,14,23,25-34,36-41H,5,12H2,1-3H3

> <INCHI_KEY>
UJHRVKJFXAWWKH-UHFFFAOYSA-N

> <FORMULA>
C32H38O14

> <MOLECULAR_WEIGHT>
646.6357

> <EXACT_MASS>
646.226155924

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
66.61725342465198

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one

> <ALOGPS_LOGP>
1.09

> <JCHEM_LOGP>
1.443262360666667

> <ALOGPS_LOGS>
-3.04

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.82216649779262

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.21938803090557

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6121823516836606

> <JCHEM_POLAR_SURFACE_AREA>
225.05999999999995

> <JCHEM_REFRACTIVITY>
160.17070000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.93e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0034634
     RDKit          3D
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside]
 84 88  0  0  0  0  0  0  0  0999 V2000
   11.5818   -2.4940    0.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0521   -1.1350   -0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8980    0.0718    0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8423   -1.0494   -0.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2485    0.2313   -0.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9398    0.3933   -0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7696    0.1549   -1.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5318    0.2709   -0.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2710    0.0428   -1.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2910   -0.3071   -2.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0504   -0.5134   -3.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0183   -0.8344   -4.2832 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8931   -0.3603   -2.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5959   -0.9088   -4.2484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5116   -0.3932   -2.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8307    0.4594    1.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4722    1.6456    1.2999 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8535    1.6523    1.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2593    1.2083   -0.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5373    1.2888   -0.6083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5850    0.6447   -0.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2684    0.0155   -1.1687 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.0096   -1.5177   -1.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.7373    2.6493   -0.6005 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7080    1.4187    3.4219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9358   -0.5326    2.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3549   -1.1982    3.3553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4521   -0.6716    1.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6386    0.8665    1.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8958    0.7515    1.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417    0.9893    1.7957 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9401   -2.9968   -0.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7100   -3.0565    0.7581 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8291    0.7173   -0.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368   -1.9364   -0.6871 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8650    1.1204   -0.7765 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0683    0.2006   -2.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8545   -0.1270   -2.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2037   -0.4215   -3.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3095   -1.0505   -4.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4951   -0.5382   -2.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8094    0.6299    1.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1598    2.7282    1.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9384    0.1188   -0.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6579    1.7981   -1.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4290   -0.0649    0.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4491   -1.8007   -0.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5677   -2.4069   -2.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2204   -0.6976   -2.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9954   -1.8513   -1.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2517    2.1291    1.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5231    2.2015   -1.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4944    0.7320    1.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5815    1.1492    2.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0334    1.2538    2.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
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 46 84  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      16.004   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      17.338  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.668  -6.930   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      14.671  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.337   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.669   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      16.004   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -6.668 -10.010   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -4.001 -11.550   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -1.334 -10.010   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      -4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
CONECT    1   13                                                            
CONECT    2   13                                                            
CONECT    3   14                                                            
CONECT    4    5   13                                                       
CONECT    5    4   15                                                       
CONECT    6    7   16                                                       
CONECT    7    6   18                                                       
CONECT    8   15   16                                                       
CONECT    9   17   19                                                       
CONECT   10   17   22                                                       
CONECT   11   20   21                                                       
CONECT   12   23   42                                                       
CONECT   13    1    2    4                                                  
CONECT   14    3   25   43                                                  
CONECT   15    5    8   18                                                  
CONECT   16    6    8   21                                                  
CONECT   17    9   10   44                                                  
CONECT   18    7   15   33                                                  
CONECT   19    9   24   34                                                  
CONECT   20   11   24   35                                                  
CONECT   21   11   16   45                                                  
CONECT   22   10   24   45                                                  
CONECT   23   12   26   46                                                  
CONECT   24   19   20   22                                                  
CONECT   25   14   27   36                                                  
CONECT   26   23   28   37                                                  
CONECT   27   25   29   38                                                  
CONECT   28   26   30   39                                                  
CONECT   29   27   31   40                                                  
CONECT   30   28   32   41                                                  
CONECT   31   29   42   43                                                  
CONECT   32   30   44   46                                                  
CONECT   33   18                                                            
CONECT   34   19                                                            
CONECT   35   20                                                            
CONECT   36   25                                                            
CONECT   37   26                                                            
CONECT   38   27                                                            
CONECT   39   28                                                            
CONECT   40   29                                                            
CONECT   41   30                                                            
CONECT   42   12   31                                                       
CONECT   43   14   31                                                       
CONECT   44   17   32                                                       
CONECT   45   21   22                                                       
CONECT   46   23   32                                                       
MASTER        0    0    0    0    0    0    0    0   46    0  100    0
END

COMPND    HMDB0034634
HETATM    1  C1  UNL     1      11.582  -2.494   0.323  1.00  0.00           C  
HETATM    2  C2  UNL     1      11.052  -1.135  -0.081  1.00  0.00           C  
HETATM    3  C3  UNL     1      11.898   0.072   0.057  1.00  0.00           C  
HETATM    4  C4  UNL     1       9.842  -1.049  -0.573  1.00  0.00           C  
HETATM    5  C5  UNL     1       9.249   0.231  -0.989  1.00  0.00           C  
HETATM    6  C6  UNL     1       7.940   0.393  -0.264  1.00  0.00           C  
HETATM    7  C7  UNL     1       6.770   0.155  -1.006  1.00  0.00           C  
HETATM    8  C8  UNL     1       5.532   0.271  -0.439  1.00  0.00           C  
HETATM    9  C9  UNL     1       4.271   0.043  -1.136  1.00  0.00           C  
HETATM   10  C10 UNL     1       4.291  -0.307  -2.459  1.00  0.00           C  
HETATM   11  C11 UNL     1       3.050  -0.513  -3.076  1.00  0.00           C  
HETATM   12  O1  UNL     1       3.018  -0.834  -4.283  1.00  0.00           O  
HETATM   13  C12 UNL     1       1.893  -0.360  -2.348  1.00  0.00           C  
HETATM   14  C13 UNL     1       0.641  -0.547  -2.891  1.00  0.00           C  
HETATM   15  O2  UNL     1       0.596  -0.909  -4.248  1.00  0.00           O  
HETATM   16  C14 UNL     1      -0.512  -0.393  -2.158  1.00  0.00           C  
HETATM   17  C15 UNL     1      -0.473  -0.032  -0.800  1.00  0.00           C  
HETATM   18  O3  UNL     1      -1.648   0.112  -0.103  1.00  0.00           O  
HETATM   19  C16 UNL     1      -1.831   0.459   1.231  1.00  0.00           C  
HETATM   20  O4  UNL     1      -2.472   1.646   1.300  1.00  0.00           O  
HETATM   21  C17 UNL     1      -3.854   1.652   1.112  1.00  0.00           C  
HETATM   22  C18 UNL     1      -4.259   1.208  -0.240  1.00  0.00           C  
HETATM   23  O5  UNL     1      -5.537   1.289  -0.608  1.00  0.00           O  
HETATM   24  C19 UNL     1      -6.585   0.645  -0.091  1.00  0.00           C  
HETATM   25  O6  UNL     1      -7.268   0.015  -1.169  1.00  0.00           O  
HETATM   26  C20 UNL     1      -8.110  -0.982  -0.674  1.00  0.00           C  
HETATM   27  C21 UNL     1      -9.010  -1.518  -1.745  1.00  0.00           C  
HETATM   28  C22 UNL     1      -8.936  -0.484   0.493  1.00  0.00           C  
HETATM   29  O7  UNL     1     -10.261  -0.916   0.319  1.00  0.00           O  
HETATM   30  C23 UNL     1      -8.968   1.020   0.560  1.00  0.00           C  
HETATM   31  O8  UNL     1      -9.897   1.473  -0.397  1.00  0.00           O  
HETATM   32  C24 UNL     1      -7.640   1.676   0.402  1.00  0.00           C  
HETATM   33  O9  UNL     1      -7.737   2.649  -0.601  1.00  0.00           O  
HETATM   34  C25 UNL     1      -4.392   0.884   2.283  1.00  0.00           C  
HETATM   35  O10 UNL     1      -3.708   1.419   3.422  1.00  0.00           O  
HETATM   36  C26 UNL     1      -3.936  -0.533   2.184  1.00  0.00           C  
HETATM   37  O11 UNL     1      -4.355  -1.198   3.355  1.00  0.00           O  
HETATM   38  C27 UNL     1      -2.452  -0.672   1.990  1.00  0.00           C  
HETATM   39  O12 UNL     1      -2.185  -1.867   1.327  1.00  0.00           O  
HETATM   40  C28 UNL     1       0.776   0.154  -0.263  1.00  0.00           C  
HETATM   41  C29 UNL     1       1.948  -0.007  -1.021  1.00  0.00           C  
HETATM   42  O13 UNL     1       3.120   0.177  -0.479  1.00  0.00           O  
HETATM   43  C30 UNL     1       5.486   0.636   0.905  1.00  0.00           C  
HETATM   44  C31 UNL     1       6.639   0.867   1.620  1.00  0.00           C  
HETATM   45  C32 UNL     1       7.896   0.752   1.055  1.00  0.00           C  
HETATM   46  O14 UNL     1       9.042   0.989   1.796  1.00  0.00           O  
HETATM   47  H1  UNL     1      11.940  -2.997  -0.596  1.00  0.00           H  
HETATM   48  H2  UNL     1      10.710  -3.056   0.758  1.00  0.00           H  
HETATM   49  H3  UNL     1      12.350  -2.326   1.082  1.00  0.00           H  
HETATM   50  H4  UNL     1      12.969  -0.271   0.141  1.00  0.00           H  
HETATM   51  H5  UNL     1      11.587   0.617   0.964  1.00  0.00           H  
HETATM   52  H6  UNL     1      11.829   0.717  -0.851  1.00  0.00           H  
HETATM   53  H7  UNL     1       9.237  -1.936  -0.687  1.00  0.00           H  
HETATM   54  H8  UNL     1       9.865   1.120  -0.777  1.00  0.00           H  
HETATM   55  H9  UNL     1       9.068   0.201  -2.089  1.00  0.00           H  
HETATM   56  H10 UNL     1       6.854  -0.127  -2.049  1.00  0.00           H  
HETATM   57  H11 UNL     1       5.204  -0.421  -3.011  1.00  0.00           H  
HETATM   58  H12 UNL     1      -0.310  -1.051  -4.664  1.00  0.00           H  
HETATM   59  H13 UNL     1      -1.495  -0.538  -2.577  1.00  0.00           H  
HETATM   60  H14 UNL     1      -0.809   0.630   1.681  1.00  0.00           H  
HETATM   61  H15 UNL     1      -4.160   2.728   1.240  1.00  0.00           H  
HETATM   62  H16 UNL     1      -3.938   0.119  -0.412  1.00  0.00           H  
HETATM   63  H17 UNL     1      -3.658   1.798  -1.017  1.00  0.00           H  
HETATM   64  H18 UNL     1      -6.429  -0.065   0.716  1.00  0.00           H  
HETATM   65  H19 UNL     1      -7.449  -1.801  -0.322  1.00  0.00           H  
HETATM   66  H20 UNL     1      -8.568  -2.407  -2.257  1.00  0.00           H  
HETATM   67  H21 UNL     1      -9.220  -0.698  -2.458  1.00  0.00           H  
HETATM   68  H22 UNL     1      -9.995  -1.851  -1.359  1.00  0.00           H  
HETATM   69  H23 UNL     1      -8.600  -0.886   1.451  1.00  0.00           H  
HETATM   70  H24 UNL     1     -10.774  -0.900   1.142  1.00  0.00           H  
HETATM   71  H25 UNL     1      -9.399   1.297   1.554  1.00  0.00           H  
HETATM   72  H26 UNL     1     -10.683   0.872  -0.305  1.00  0.00           H  
HETATM   73  H27 UNL     1      -7.252   2.129   1.314  1.00  0.00           H  
HETATM   74  H28 UNL     1      -7.523   2.202  -1.476  1.00  0.00           H  
HETATM   75  H29 UNL     1      -5.457   1.009   2.431  1.00  0.00           H  
HETATM   76  H30 UNL     1      -3.745   2.406   3.284  1.00  0.00           H  
HETATM   77  H31 UNL     1      -4.465  -1.027   1.352  1.00  0.00           H  
HETATM   78  H32 UNL     1      -4.382  -0.541   4.080  1.00  0.00           H  
HETATM   79  H33 UNL     1      -1.989  -0.756   2.993  1.00  0.00           H  
HETATM   80  H34 UNL     1      -2.826  -2.588   1.563  1.00  0.00           H  
HETATM   81  H35 UNL     1       0.899   0.431   0.769  1.00  0.00           H  
HETATM   82  H36 UNL     1       4.494   0.732   1.371  1.00  0.00           H  
HETATM   83  H37 UNL     1       6.581   1.149   2.661  1.00  0.00           H  
HETATM   84  H38 UNL     1       9.033   1.254   2.767  1.00  0.00           H  
CONECT    1    2   47   48   49
CONECT    2    3    4    4
CONECT    3   50   51   52
CONECT    4    5   53
CONECT    5    6   54   55
CONECT    6    7    7   45
CONECT    7    8   56
CONECT    8    9   43   43
CONECT    9   10   10   42
CONECT   10   11   57
CONECT   11   12   12   13
CONECT   13   14   14   41
CONECT   14   15   16
CONECT   15   58
CONECT   16   17   17   59
CONECT   17   18   40
CONECT   18   19
CONECT   19   20   38   60
CONECT   20   21
CONECT   21   22   34   61
CONECT   22   23   62   63
CONECT   23   24
CONECT   24   25   32   64
CONECT   25   26
CONECT   26   27   28   65
CONECT   27   66   67   68
CONECT   28   29   30   69
CONECT   29   70
CONECT   30   31   32   71
CONECT   31   72
CONECT   32   33   73
CONECT   33   74
CONECT   34   35   36   75
CONECT   35   76
CONECT   36   37   38   77
CONECT   37   78
CONECT   38   39   79
CONECT   39   80
CONECT   40   41   41   81
CONECT   41   42
CONECT   43   44   82
CONECT   44   45   45   83
CONECT   45   46
CONECT   46   84
END

HMDB0034634
     RDKit          3D
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside]
 84 88  0  0  0  0  0  0  0  0999 V2000
   11.5818   -2.4940    0.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0521   -1.1350   -0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8980    0.0718    0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8423   -1.0494   -0.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2485    0.2313   -0.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9398    0.3933   -0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7696    0.1549   -1.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5318    0.2709   -0.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2710    0.0428   -1.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2910   -0.3071   -2.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0504   -0.5134   -3.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0183   -0.8344   -4.2832 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8931   -0.3603   -2.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6406   -0.5475   -2.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5959   -0.9088   -4.2484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5116   -0.3932   -2.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4730   -0.0320   -0.8003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6480    0.1118   -0.1029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8307    0.4594    1.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4722    1.6456    1.2999 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8535    1.6523    1.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2593    1.2083   -0.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5373    1.2888   -0.6083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5850    0.6447   -0.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2684    0.0155   -1.1687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1099   -0.9820   -0.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0096   -1.5177   -1.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9361   -0.4838    0.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2607   -0.9159    0.3190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9682    1.0195    0.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8972    1.4734   -0.3971 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6399    1.6762    0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7373    2.6493   -0.6005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3916    0.8840    2.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7080    1.4187    3.4219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9358   -0.5326    2.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3549   -1.1982    3.3553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4521   -0.6716    1.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1854   -1.8667    1.3266 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7761    0.1538   -0.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9480   -0.0066   -1.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1201    0.1773   -0.4791 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4855    0.6359    0.9052 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6386    0.8665    1.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8958    0.7515    1.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417    0.9893    1.7957 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9401   -2.9968   -0.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7100   -3.0565    0.7581 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3499   -2.3256    1.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9686   -0.2709    0.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5871    0.6166    0.9639 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8291    0.7173   -0.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368   -1.9364   -0.6871 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8650    1.1204   -0.7765 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0683    0.2006   -2.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8545   -0.1270   -2.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2037   -0.4215   -3.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1598    2.7282    1.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9384    0.1188   -0.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6579    1.7981   -1.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4290   -0.0649    0.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4491   -1.8007   -0.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5677   -2.4069   -2.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2204   -0.6976   -2.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9954   -1.8513   -1.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6001   -0.8860    1.4509 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7739   -0.8999    1.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3986    1.2965    1.5541 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6829    0.8724   -0.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2517    2.1291    1.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5231    2.2015   -1.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4568    1.0092    2.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7451    2.4061    3.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4648   -1.0267    1.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3819   -0.5410    4.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9894   -0.7556    2.9927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8255   -2.5880    1.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8988    0.4309    0.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4944    0.7320    1.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5815    1.1492    2.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0334    1.2538    2.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

View in JSmol View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₃₂H₃₈O₁₄

Average Molecular Weight

646.6357

Monoisotopic Molecular Weight

646.226155924

IUPAC Name

5-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one

Traditional Name

5-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one

CAS Registry Number

245054-57-3

SMILES

CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(O)C(CC=C(C)C)=C3)C(O)C(O)C2O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C32H38O14/c1-13(2)4-5-15-8-16(6-7-18(15)33)21-11-20(35)24-19(34)9-17(10-22(24)45-21)44-32-30(41)28(39)26(37)23(46-32)12-42-31-29(40)27(38)25(36)14(3)43-31/h4,6-11,14,23,25-34,36-41H,5,12H2,1-3H3

InChI Key

UJHRVKJFXAWWKH-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-7-O-glycosides

Alternative Parents

Substituents

Flavonoid-7-o-glycoside
3'-prenylated flavone
4'-hydroxyflavonoid
5-hydroxyflavonoid
Flavone
Hydroxyflavonoid
Phenolic glycoside
Chromone
Disaccharide
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Pyranone
Oxane
Benzenoid
Pyran
Monocyclic benzene moiety
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Polyol
Acetal
Organoheterocyclic compound
Oxacycle
Organooxygen compound
Organic oxygen compound
Alcohol
Organic oxide
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0034634)
Cytoplasm (HMDB: HMDB0034634)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0034634)

Source

Exogenous

Food

Food (HMDB: HMDB0034634)

Fruit

Fruits (FooDB: FOOD00871)

Endogenous

Plant

Plant (HMDB: HMDB0034634)

Not Available

Nutrient (HMDB: HMDB0034634)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	128 °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	0.59 g/L	ALOGPS
logP	1.09	ALOGPS
logP	1.44	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	8.22	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	225.06 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	160.17 m³·mol⁻¹	ChemAxon
Polarizability	66.62 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
DeepCCS	[M+H]+	239.858	30932474
DeepCCS	[M-H]-	238.034	30932474
DeepCCS	[M-2H]-	271.275	30932474
DeepCCS	[M+Na]+	245.563	30932474
AllCCS	[M+H]+	246.0	32859911
AllCCS	[M+H-H2O]+	245.1	32859911
AllCCS	[M+NH4]+	246.9	32859911
AllCCS	[M+Na]+	247.1	32859911
AllCCS	[M-H]-	240.4	32859911
AllCCS	[M+Na-2H]-	243.8	32859911
AllCCS	[M+HCOO]-	247.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside]	CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(O)C(CC=C(C)C)=C3)C(O)C(O)C2O)C(O)C(O)C1O	6096.5	Standard polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside]	CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(O)C(CC=C(C)C)=C3)C(O)C(O)C2O)C(O)C(O)C1O	5194.9	Standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside]	CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(O)C(CC=C(C)C)=C3)C(O)C(O)C2O)C(O)C(O)C1O	5896.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],1TMS,isomer #1	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O	5665.3	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],1TMS,isomer #2	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5655.0	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],1TMS,isomer #3	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5703.3	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],1TMS,isomer #4	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5691.2	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],1TMS,isomer #5	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5685.1	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],1TMS,isomer #6	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5676.4	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],1TMS,isomer #7	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O	5669.2	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],1TMS,isomer #8	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O	5683.4	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #1	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O	5584.2	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #10	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5533.5	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #11	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5564.6	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #12	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5561.9	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #13	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	5587.1	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #14	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5617.5	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #15	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5576.6	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #16	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5598.0	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #17	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5646.4	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #18	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5634.2	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #19	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5597.5	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #2	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O	5537.0	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #20	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5553.1	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #21	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5570.9	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #22	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5623.6	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #23	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5598.6	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #24	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5556.2	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #25	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5576.6	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #26	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5581.0	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #27	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5587.5	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #28	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O	5575.5	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #3	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5557.5	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #4	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5584.5	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #5	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5579.9	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #6	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5605.1	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #7	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5542.7	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #8	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5562.5	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #9	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5510.2	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #1	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O	5407.0	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #10	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5404.2	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #11	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5348.7	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #12	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5413.8	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #13	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5393.6	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #14	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5441.8	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #15	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5367.6	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #16	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5455.3	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #17	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5495.6	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #18	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5418.5	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #19	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5474.3	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #2	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5425.7	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #20	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5408.0	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #21	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	5441.6	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #22	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5392.6	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #23	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5414.9	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #24	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5442.0	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #25	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5426.1	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #26	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	5469.9	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #27	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5406.5	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #28	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5379.0	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #29	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5361.4	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #3	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5452.1	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #30	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	5402.6	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #31	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5411.6	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #32	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5389.3	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #33	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	5443.2	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #34	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5442.8	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #35	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	5483.6	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #36	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	5464.5	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #37	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5460.8	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #38	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5487.3	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #39	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5519.5	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #4	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5438.8	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #40	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5491.6	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #41	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5473.5	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #42	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5468.8	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #43	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5440.3	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #44	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5499.7	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #45	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5473.4	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #46	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5548.8	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #47	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5419.1	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #48	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5442.0	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #49	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5470.3	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #5	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5472.8	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #50	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5427.0	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #51	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5420.6	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #52	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5451.1	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #53	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5433.6	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #54	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5459.4	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #55	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5447.4	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #56	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5456.3	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #6	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C)C(O)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C	5422.1	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #7	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5414.9	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #8	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5388.0	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #9	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C)C5O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5372.9	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],1TBDMS,isomer #1	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O	5886.7	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],1TBDMS,isomer #2	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5867.3	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],1TBDMS,isomer #3	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5940.9	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],1TBDMS,isomer #4	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	5930.7	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],1TBDMS,isomer #5	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5921.5	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],1TBDMS,isomer #6	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5911.1	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],1TBDMS,isomer #7	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O	5907.3	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],1TBDMS,isomer #8	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O	5923.4	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #1	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O	5984.4	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #10	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5917.2	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #11	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5962.0	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #12	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5977.6	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #13	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5983.3	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #14	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	6010.8	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #15	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5969.1	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #16	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5978.1	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #17	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	6039.6	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #18	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	6023.3	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #19	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	6001.5	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #2	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O	5946.8	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #20	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	5967.5	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #21	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	5960.8	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #22	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	6018.3	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #23	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5990.4	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #24	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5952.2	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #25	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5953.0	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #26	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5971.8	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #27	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5973.4	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #28	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O	5977.7	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #3	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC=C1O	5937.9	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #4	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5980.8	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #5	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	5996.2	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #6	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5995.1	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #7	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5960.4	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #8	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5963.2	Semi standard non polar	33892256
3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #9	CC(C)=CCC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(COC5OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(O)C(O)C4O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5921.7	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (Non-derivatized) - 70eV, Positive	splash10-004r-7583119000-0ddf6d34a0375eb11d72	2017-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-10-17	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 - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] 10V, Positive-QTOF	splash10-002s-0109007000-0df072546dfc29da4f09	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] 20V, Positive-QTOF	splash10-000i-1119000000-7836038856b901ea8815	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] 40V, Positive-QTOF	splash10-01wr-4928000000-9cd25643bbca890e607d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] 10V, Negative-QTOF	splash10-000b-3428219000-86ed5da72cb30198336b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] 20V, Negative-QTOF	splash10-000i-2409001000-b79e655cee1b2f6d3bc5	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] 40V, Negative-QTOF	splash10-000i-3239000000-8d66603ee3db88da23a2	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] 10V, Positive-QTOF	splash10-000j-0009004000-8e2731432db42e68ddeb	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] 20V, Positive-QTOF	splash10-0ue0-0009091000-ab74c7fa79f791294ac4	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] 40V, Positive-QTOF	splash10-000i-0009000000-2b8ef97f349df851f3ad	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] 10V, Negative-QTOF	splash10-0002-0000109000-991c5fcf010a064e61dd	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] 20V, Negative-QTOF	splash10-0002-0005709000-6bc96b1b86fd6b29e532	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] 40V, Negative-QTOF	splash10-000i-0009001000-91188a26deeec976aaed	2021-09-22	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

FDB013156

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

131751598

PDB ID

Not Available

ChEBI ID

172783

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 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] (HMDB0034634)

MOL for HMDB0034634 (3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside])

3D MOL for HMDB0034634 (3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside])

3D SDF for HMDB0034634 (3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside])

3D-SDF for HMDB0034634 (3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside])

PDB for HMDB0034634 (3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside])

3D PDB for HMDB0034634 (3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside])

SMILES for HMDB0034634 (3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside])

INCHI for HMDB0034634 (3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside])

Structure for HMDB0034634 (3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside])

3D Structure for HMDB0034634 (3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside])

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra