Hmdb loader

Showing metabocard for 2'-Hydroxygenistein 7-(6''-malonylglucoside) (HMDB0039247)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 00:37:52 UTC
Update Date2022-03-07 02:56:07 UTC
HMDB IDHMDB0039247
Secondary Accession Numbers
  • HMDB39247
Metabolite Identification
Common Name2'-Hydroxygenistein 7-(6''-malonylglucoside)
Description2'-Hydroxygenistein 7-(6''-malonylglucoside) belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. 2'-Hydroxygenistein 7-(6''-malonylglucoside) has been detected, but not quantified in, pulses and white lupines (Lupinus albus). This could make 2'-hydroxygenistein 7-(6''-malonylglucoside) a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 2'-Hydroxygenistein 7-(6''-malonylglucoside).
Structure
Data?1563863339
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0039247 (2'-Hydroxygenistein 7-(6''-malonylglucoside))


  Mrv0541 05061310572D          

 38 41  0  0  0  0            999 V2000
    9.2881    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4302    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1447    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D MOL for HMDB0039247 (2'-Hydroxygenistein 7-(6''-malonylglucoside))

HMDB0039247
     RDKit          3D
2'-Hydroxygenistein 7-(6''-malonylglucoside)
 60 63  0  0  0  0  0  0  0  0999 V2000
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M  END
Download

3D SDF for HMDB0039247 (2'-Hydroxygenistein 7-(6''-malonylglucoside))


  Mrv0541 05061310572D          

 38 41  0  0  0  0            999 V2000
    9.2881    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5737    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7145    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
HMDB0039247

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=CC(O)=C3C(OC=C(C3=O)C3=C(O)C=C(O)C=C3)=C2)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C24H22O14/c25-9-1-2-11(13(26)3-9)12-7-35-15-5-10(4-14(27)19(15)20(12)31)37-24-23(34)22(33)21(32)16(38-24)8-36-18(30)6-17(28)29/h1-5,7,16,21-27,32-34H,6,8H2,(H,28,29)

> <INCHI_KEY>
QFCNXJBZARIFSY-UHFFFAOYSA-N

> <FORMULA>
C24H22O14

> <MOLECULAR_WEIGHT>
534.4231

> <EXACT_MASS>
534.100955412

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
49.4959342149688

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-[(6-{[3-(2,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid

> <ALOGPS_LOGP>
1.26

> <JCHEM_LOGP>
0.8385928309999999

> <ALOGPS_LOGS>
-2.88

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.194313296757901

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3720701164668543

> <JCHEM_PKA_STRONGEST_BASIC>
-3.649103025442529

> <JCHEM_POLAR_SURFACE_AREA>
229.73999999999992

> <JCHEM_REFRACTIVITY>
121.30379999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.98e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-[(6-{[3-(2,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0039247 (2'-Hydroxygenistein 7-(6''-malonylglucoside))

HMDB0039247
     RDKit          3D
2'-Hydroxygenistein 7-(6''-malonylglucoside)
 60 63  0  0  0  0  0  0  0  0999 V2000
   -7.1867    2.7909    1.2780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2448    2.9834    0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7822    4.2087   -0.4415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7721    1.9714   -0.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6746    1.0078   -1.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8657    1.3145   -2.1489 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5491   -0.1773   -0.5881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5606   -1.1083   -0.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1570   -0.6186   -0.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2225   -1.6332   -0.9700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1291   -1.4358   -0.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9543   -2.0662   -0.5503 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2814   -1.4824   -0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4444   -0.2970    0.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7086    0.2961    0.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8770    1.4867    1.1487 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8159   -0.3296   -0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0715    0.1984    0.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2465    1.2762    0.7002 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2191   -0.4173   -0.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5316    0.1639   -0.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1629   -0.0259    1.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4403    0.4868    1.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1129    1.1899    0.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3969    1.6873    0.4792 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4969    1.3883   -0.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2093    0.8656   -1.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6364    1.0948   -2.4161 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9909   -1.5958   -1.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7748   -2.1016   -1.2429 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6935   -1.5297   -0.7462 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4371   -2.0800   -0.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4023   -1.8409    1.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5227   -3.2080    1.3272 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6187   -1.0808    1.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6479   -1.9454    1.9924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9990   -0.0414    0.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2581    0.4476    1.0763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0969    4.7352    0.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1211    2.4005   -1.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6570    1.4434   -0.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7367   -1.9704   -0.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6741   -1.5757   -1.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9821    0.2090   -1.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9407   -0.3256   -0.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3666    0.2502    0.7409 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0504    1.9532    1.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6408   -0.5797    1.7677 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9390    0.3285    2.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5808    2.5987    0.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0193    1.9459   -1.7553 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7028    0.7497   -2.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8557   -2.1110   -1.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2903   -3.0106   -1.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4824   -1.5506    1.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7907   -3.6599    1.8014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3308   -0.4781    2.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3730   -2.8830    1.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3137    0.8165    0.7543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2140    0.8708    1.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  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  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 20 29  2  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 11 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 37  9  1  0
 32 13  1  0
 31 17  1  0
 27 21  1  0
  3 39  1  0
  4 40  1  0
  4 41  1  0
  8 42  1  0
  8 43  1  0
  9 44  1  0
 11 45  1  0
 14 46  1  0
 16 47  1  0
 22 48  1  0
 23 49  1  0
 25 50  1  0
 26 51  1  0
 28 52  1  0
 29 53  1  0
 32 54  1  0
 33 55  1  0
 34 56  1  0
 35 57  1  0
 36 58  1  0
 37 59  1  0
 38 60  1  0
M  END
Download

PDB for HMDB0039247 (2'-Hydroxygenistein 7-(6''-malonylglucoside))

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      17.338  10.010   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      16.004  10.780   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      16.004   7.700   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.669  15.400   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.336  13.090   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334  14.630   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.003  10.010   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667  15.400   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      17.338   8.470   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.336  14.630   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      14.671  10.010   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      13.337  10.780   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      14.671   8.470   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.003  14.630   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.669  12.320   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001  14.630   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.667  15.400   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.000  15.400   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.003  13.090   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      13.337  12.320   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.001  13.090   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.335  12.320   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.668  13.090   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.668  14.630   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      18.672   7.700   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      13.337   7.700   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      13.337  15.400   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -4.001  14.630   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -2.667  16.940   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       0.000  16.940   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      14.671  13.090   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       2.667  12.320   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       5.335  10.780   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       8.002  12.320   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      10.669  10.780   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       1.334  14.630   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       8.002  15.400   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       5.335  15.400   0.000  0.00  0.00           O+0
CONECT    1    2    9                                                       
CONECT    2    1   11                                                       
CONECT    3    9   13                                                       
CONECT    4   10   14                                                       
CONECT    5   10   15                                                       
CONECT    6   17   18                                                       
CONECT    7   12   35                                                       
CONECT    8   16   36                                                       
CONECT    9    1    3   25                                                  
CONECT   10    4    5   37                                                  
CONECT   11    2   12   13                                                  
CONECT   12    7   11   20                                                  
CONECT   13    3   11   26                                                  
CONECT   14    4   19   27                                                  
CONECT   15    5   19   35                                                  
CONECT   16    8   21   38                                                  
CONECT   17    6   28   29                                                  
CONECT   18    6   30   36                                                  
CONECT   19   14   15   20                                                  
CONECT   20   12   19   31                                                  
CONECT   21   16   22   32                                                  
CONECT   22   21   23   33                                                  
CONECT   23   22   24   34                                                  
CONECT   24   23   37   38                                                  
CONECT   25    9                                                            
CONECT   26   13                                                            
CONECT   27   14                                                            
CONECT   28   17                                                            
CONECT   29   17                                                            
CONECT   30   18                                                            
CONECT   31   20                                                            
CONECT   32   21                                                            
CONECT   33   22                                                            
CONECT   34   23                                                            
CONECT   35    7   15                                                       
CONECT   36    8   18                                                       
CONECT   37   10   24                                                       
CONECT   38   16   24                                                       
MASTER        0    0    0    0    0    0    0    0   38    0   82    0
END
Download

3D PDB for HMDB0039247 (2'-Hydroxygenistein 7-(6''-malonylglucoside))

COMPND    HMDB0039247
HETATM    1  O1  UNL     1      -7.187   2.791   1.278  1.00  0.00           O  
HETATM    2  C1  UNL     1      -7.245   2.983   0.020  1.00  0.00           C  
HETATM    3  O2  UNL     1      -6.782   4.209  -0.442  1.00  0.00           O  
HETATM    4  C2  UNL     1      -7.772   1.971  -0.900  1.00  0.00           C  
HETATM    5  C3  UNL     1      -6.675   1.008  -1.240  1.00  0.00           C  
HETATM    6  O3  UNL     1      -5.866   1.314  -2.149  1.00  0.00           O  
HETATM    7  O4  UNL     1      -6.549  -0.177  -0.588  1.00  0.00           O  
HETATM    8  C4  UNL     1      -5.561  -1.108  -0.866  1.00  0.00           C  
HETATM    9  C5  UNL     1      -4.157  -0.619  -0.680  1.00  0.00           C  
HETATM   10  O5  UNL     1      -3.222  -1.633  -0.970  1.00  0.00           O  
HETATM   11  C6  UNL     1      -2.129  -1.436  -0.174  1.00  0.00           C  
HETATM   12  O6  UNL     1      -0.954  -2.066  -0.550  1.00  0.00           O  
HETATM   13  C7  UNL     1       0.281  -1.482  -0.379  1.00  0.00           C  
HETATM   14  C8  UNL     1       0.444  -0.297   0.298  1.00  0.00           C  
HETATM   15  C9  UNL     1       1.709   0.296   0.471  1.00  0.00           C  
HETATM   16  O7  UNL     1       1.877   1.487   1.149  1.00  0.00           O  
HETATM   17  C10 UNL     1       2.816  -0.330  -0.053  1.00  0.00           C  
HETATM   18  C11 UNL     1       4.072   0.198   0.083  1.00  0.00           C  
HETATM   19  O8  UNL     1       4.247   1.276   0.700  1.00  0.00           O  
HETATM   20  C12 UNL     1       5.219  -0.417  -0.448  1.00  0.00           C  
HETATM   21  C13 UNL     1       6.532   0.164  -0.205  1.00  0.00           C  
HETATM   22  C14 UNL     1       7.163  -0.026   1.010  1.00  0.00           C  
HETATM   23  C15 UNL     1       8.440   0.487   1.216  1.00  0.00           C  
HETATM   24  C16 UNL     1       9.113   1.190   0.236  1.00  0.00           C  
HETATM   25  O9  UNL     1      10.397   1.687   0.479  1.00  0.00           O  
HETATM   26  C17 UNL     1       8.497   1.388  -0.983  1.00  0.00           C  
HETATM   27  C18 UNL     1       7.209   0.866  -1.178  1.00  0.00           C  
HETATM   28  O10 UNL     1       6.636   1.095  -2.416  1.00  0.00           O  
HETATM   29  C19 UNL     1       4.991  -1.596  -1.118  1.00  0.00           C  
HETATM   30  O11 UNL     1       3.775  -2.102  -1.243  1.00  0.00           O  
HETATM   31  C20 UNL     1       2.693  -1.530  -0.746  1.00  0.00           C  
HETATM   32  C21 UNL     1       1.437  -2.080  -0.895  1.00  0.00           C  
HETATM   33  C22 UNL     1      -2.402  -1.841   1.287  1.00  0.00           C  
HETATM   34  O12 UNL     1      -2.523  -3.208   1.327  1.00  0.00           O  
HETATM   35  C23 UNL     1      -3.619  -1.081   1.720  1.00  0.00           C  
HETATM   36  O13 UNL     1      -4.648  -1.945   1.992  1.00  0.00           O  
HETATM   37  C24 UNL     1      -3.999  -0.041   0.681  1.00  0.00           C  
HETATM   38  O14 UNL     1      -5.258   0.448   1.076  1.00  0.00           O  
HETATM   39  H1  UNL     1      -6.097   4.735   0.091  1.00  0.00           H  
HETATM   40  H2  UNL     1      -8.121   2.400  -1.867  1.00  0.00           H  
HETATM   41  H3  UNL     1      -8.657   1.443  -0.473  1.00  0.00           H  
HETATM   42  H4  UNL     1      -5.737  -1.970  -0.151  1.00  0.00           H  
HETATM   43  H5  UNL     1      -5.674  -1.576  -1.877  1.00  0.00           H  
HETATM   44  H6  UNL     1      -3.982   0.209  -1.421  1.00  0.00           H  
HETATM   45  H7  UNL     1      -1.941  -0.326  -0.159  1.00  0.00           H  
HETATM   46  H8  UNL     1      -0.367   0.250   0.741  1.00  0.00           H  
HETATM   47  H9  UNL     1       1.050   1.953   1.529  1.00  0.00           H  
HETATM   48  H10 UNL     1       6.641  -0.580   1.768  1.00  0.00           H  
HETATM   49  H11 UNL     1       8.939   0.328   2.177  1.00  0.00           H  
HETATM   50  H12 UNL     1      10.581   2.599   0.863  1.00  0.00           H  
HETATM   51  H13 UNL     1       9.019   1.946  -1.755  1.00  0.00           H  
HETATM   52  H14 UNL     1       5.703   0.750  -2.587  1.00  0.00           H  
HETATM   53  H15 UNL     1       5.856  -2.111  -1.549  1.00  0.00           H  
HETATM   54  H16 UNL     1       1.290  -3.011  -1.420  1.00  0.00           H  
HETATM   55  H17 UNL     1      -1.482  -1.551   1.846  1.00  0.00           H  
HETATM   56  H18 UNL     1      -1.791  -3.660   1.801  1.00  0.00           H  
HETATM   57  H19 UNL     1      -3.331  -0.478   2.633  1.00  0.00           H  
HETATM   58  H20 UNL     1      -4.373  -2.883   1.857  1.00  0.00           H  
HETATM   59  H21 UNL     1      -3.314   0.816   0.754  1.00  0.00           H  
HETATM   60  H22 UNL     1      -5.214   0.871   1.978  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   39
CONECT    4    5   40   41
CONECT    5    6    6    7
CONECT    7    8
CONECT    8    9   42   43
CONECT    9   10   37   44
CONECT   10   11
CONECT   11   12   33   45
CONECT   12   13
CONECT   13   14   14   32
CONECT   14   15   46
CONECT   15   16   17   17
CONECT   16   47
CONECT   17   18   31
CONECT   18   19   19   20
CONECT   20   21   29   29
CONECT   21   22   22   27
CONECT   22   23   48
CONECT   23   24   24   49
CONECT   24   25   26
CONECT   25   50
CONECT   26   27   27   51
CONECT   27   28
CONECT   28   52
CONECT   29   30   53
CONECT   30   31
CONECT   31   32   32
CONECT   32   54
CONECT   33   34   35   55
CONECT   34   56
CONECT   35   36   37   57
CONECT   36   58
CONECT   37   38   59
CONECT   38   60
END
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SMILES for HMDB0039247 (2'-Hydroxygenistein 7-(6''-malonylglucoside))

OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=CC(O)=C3C(OC=C(C3=O)C3=C(O)C=C(O)C=C3)=C2)C1O
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INCHI for HMDB0039247 (2'-Hydroxygenistein 7-(6''-malonylglucoside))

InChI=1S/C24H22O14/c25-9-1-2-11(13(26)3-9)12-7-35-15-5-10(4-14(27)19(15)20(12)31)37-24-23(34)22(33)21(32)16(38-24)8-36-18(30)6-17(28)29/h1-5,7,16,21-27,32-34H,6,8H2,(H,28,29)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
2'-Hydroxygenistein 7-O-(6''-malonylglucoside)HMDB
5,7,2',4'-Tetrahydroxyisoflavone 7-O-(6''-malonylglucoside)HMDB
3-[(6-{[3-(2,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoateGenerator
Chemical FormulaC24H22O14
Average Molecular Weight534.4231
Monoisotopic Molecular Weight534.100955412
IUPAC Name3-[(6-{[3-(2,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid
Traditional Name3-[(6-{[3-(2,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid
CAS Registry Number137351-13-4
SMILES
OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=CC(O)=C3C(OC=C(C3=O)C3=C(O)C=C(O)C=C3)=C2)C1O
InChI Identifier
InChI=1S/C24H22O14/c25-9-1-2-11(13(26)3-9)12-7-35-15-5-10(4-14(27)19(15)20(12)31)37-24-23(34)22(33)21(32)16(38-24)8-36-18(30)6-17(28)29/h1-5,7,16,21-27,32-34H,6,8H2,(H,28,29)
InChI KeyQFCNXJBZARIFSY-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassIsoflavonoids
Sub ClassIsoflavonoid O-glycosides
Direct ParentIsoflavonoid O-glycosides
Alternative Parents
Substituents
  • Isoflavonoid o-glycoside
  • Isoflavonoid-7-o-glycoside
  • Isoflavone
  • Hydroxyisoflavonoid
  • Phenolic glycoside
  • Chromone
  • Glycosyl compound
  • O-glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • Resorcinol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Pyranone
  • Benzenoid
  • Pyran
  • Monocyclic benzene moiety
  • 1,3-dicarbonyl compound
  • Oxane
  • Monosaccharide
  • Dicarboxylic acid or derivatives
  • Vinylogous acid
  • Heteroaromatic compound
  • Secondary alcohol
  • Carboxylic acid ester
  • Organoheterocyclic compound
  • Polyol
  • Acetal
  • Carboxylic acid derivative
  • Oxacycle
  • Carboxylic acid
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.7 g/LALOGPS
logP1.26ALOGPS
logP0.84ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)3.37ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count13ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area229.74 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity121.3 m³·mol⁻¹ChemAxon
Polarizability49.5 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+215.79130932474
DeepCCS[M-H]-213.39630932474
DeepCCS[M-2H]-246.3830932474
DeepCCS[M+Na]+221.70430932474
AllCCS[M+H]+215.332859911
AllCCS[M+H-H2O]+213.632859911
AllCCS[M+NH4]+216.832859911
AllCCS[M+Na]+217.232859911
AllCCS[M-H]-212.832859911
AllCCS[M+Na-2H]-214.032859911
AllCCS[M+HCOO]-215.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2'-Hydroxygenistein 7-(6''-malonylglucoside)OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=CC(O)=C3C(OC=C(C3=O)C3=C(O)C=C(O)C=C3)=C2)C1O6685.5Standard polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside)OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=CC(O)=C3C(OC=C(C3=O)C3=C(O)C=C(O)C=C3)=C2)C1O4103.4Standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside)OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=CC(O)=C3C(OC=C(C3=O)C3=C(O)C=C(O)C=C3)=C2)C1O4981.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2'-Hydroxygenistein 7-(6''-malonylglucoside),1TMS,isomer #1C[Si](C)(C)OC1C(O)C(COC(=O)CC(=O)O)OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C1O4886.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),1TMS,isomer #2C[Si](C)(C)OC1C(COC(=O)CC(=O)O)OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O)C1O4873.9Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),1TMS,isomer #3C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O)C(O)C1O4791.1Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),1TMS,isomer #4C[Si](C)(C)OC1=CC(OC2OC(COC(=O)CC(=O)O)C(O)C(O)C2O)=CC2=C1C(=O)C(C1=CC=C(O)C=C1O)=CO24831.6Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),1TMS,isomer #5C[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)=CC(O)=C2C1=O4801.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),1TMS,isomer #6C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)=C14870.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),1TMS,isomer #7C[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)OC(COC(=O)CC(=O)O)C(O)C1O4890.9Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TMS,isomer #1C[Si](C)(C)OC1C(COC(=O)CC(=O)O)OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O)C1O[Si](C)(C)C4769.5Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TMS,isomer #10C[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O4676.3Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TMS,isomer #11C[Si](C)(C)OC1C(COC(=O)CC(=O)O)OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O[Si](C)(C)C)C1O4798.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TMS,isomer #12C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O)C(O)C1O4590.3Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TMS,isomer #13C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O)=COC3=C2)C(O)C(O)C1O4611.2Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TMS,isomer #14C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O[Si](C)(C)C)=COC3=C2)C(O)C(O)C1O4572.3Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TMS,isomer #15C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O[Si](C)(C)C)C(O)C1O4662.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TMS,isomer #16C[Si](C)(C)OC1=CC(OC2OC(COC(=O)CC(=O)O)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)C(C1=CC=C(O)C=C1O)=CO24702.1Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TMS,isomer #17C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)=C14655.7Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TMS,isomer #18C[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O4617.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TMS,isomer #19C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)=C14661.5Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TMS,isomer #2C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O)C(O[Si](C)(C)C)C1O4627.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TMS,isomer #20C[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O4697.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TMS,isomer #21C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)=C14733.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TMS,isomer #3C[Si](C)(C)OC1=CC(OC2OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)C(C1=CC=C(O)C=C1O)=CO24680.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TMS,isomer #4C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)=C14708.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TMS,isomer #5C[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O4666.9Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TMS,isomer #6C[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)OC(COC(=O)CC(=O)O)C(O)C1O[Si](C)(C)C4760.1Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TMS,isomer #7C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O)C(O)C1O[Si](C)(C)C4640.5Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TMS,isomer #8C[Si](C)(C)OC1=CC(OC2OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1C(=O)C(C1=CC=C(O)C=C1O)=CO24683.6Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TMS,isomer #9C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)=C14713.1Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #1C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4568.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #10C[Si](C)(C)OC1=CC(OC2OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1C(=O)C(C1=CC=C(O)C=C1O)=CO24599.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #11C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)=C14505.5Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #12C[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C3O)=CC(O[Si](C)(C)C)=C2C1=O4450.9Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #13C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)=C14634.9Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #14C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)=C14497.6Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #15C[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC(O)=C2C1=O4588.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #16C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O)C(O)C1O[Si](C)(C)C4479.6Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #17C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O)=COC3=C2)C(O)C(O)C1O[Si](C)(C)C4506.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #18C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O[Si](C)(C)C)=COC3=C2)C(O)C(O)C1O[Si](C)(C)C4463.5Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #19C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4619.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #2C[Si](C)(C)OC1=CC(OC2OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)C(C1=CC=C(O)C=C1O)=CO24597.2Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #20C[Si](C)(C)OC1=CC(OC2OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)C(C1=CC=C(O)C=C1O)=CO24637.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #21C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)=C14545.6Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #22C[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O4491.6Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #23C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)=C14675.6Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #24C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)=C14532.6Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #25C[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O4629.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #26C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O)=COC3=C2)C(O)C(O)C1O4440.9Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #27C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4O[Si](C)(C)C)=COC3=C2)C(O)C(O)C1O4384.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #28C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O[Si](C)(C)C)C(O)C1O4501.5Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #29C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O[Si](C)(C)C)=COC3=C2)C(O)C(O)C1O4424.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #3C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)=C14633.3Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #30C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O)=COC3=C2)C(O[Si](C)(C)C)C(O)C1O4530.3Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #31C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O[Si](C)(C)C)=COC3=C2)C(O[Si](C)(C)C)C(O)C1O4483.9Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #32C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)=C14564.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #33C[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C1=O4510.3Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #34C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)=C14458.5Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #35C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)=C14551.9Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #4C[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O4584.3Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #5C[Si](C)(C)OC1C(COC(=O)CC(=O)O)OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4735.9Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #6C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O)C(O[Si](C)(C)C)C1O4445.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #7C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O)=COC3=C2)C(O)C(O[Si](C)(C)C)C1O4473.6Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #8C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O[Si](C)(C)C)=COC3=C2)C(O)C(O[Si](C)(C)C)C1O4431.2Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TMS,isomer #9C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4571.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #1C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4427.1Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #10C[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC(O)=C2C1=O4581.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #11C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O)=COC3=C2)C(O)C(O[Si](C)(C)C)C1O4361.1Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #12C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4O[Si](C)(C)C)=COC3=C2)C(O)C(O[Si](C)(C)C)C1O4305.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #13C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4433.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #14C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O[Si](C)(C)C)=COC3=C2)C(O)C(O[Si](C)(C)C)C1O4352.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #15C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O)=COC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4472.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #16C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O[Si](C)(C)C)=COC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4425.3Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #17C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)=C14501.7Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #18C[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C1=O4453.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #19C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)=C14378.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #2C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O)=COC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4461.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #20C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)=C14502.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #21C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O)=COC3=C2)C(O)C(O)C1O[Si](C)(C)C4389.5Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #22C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4O[Si](C)(C)C)=COC3=C2)C(O)C(O)C1O[Si](C)(C)C4335.7Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #23C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4465.6Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #24C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O[Si](C)(C)C)=COC3=C2)C(O)C(O)C1O[Si](C)(C)C4379.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #25C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O)=COC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4502.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #26C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O[Si](C)(C)C)=COC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4456.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #27C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)=C14531.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #28C[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C1=O4481.9Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #29C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)=C14414.3Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #3C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O[Si](C)(C)C)=COC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4417.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #30C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)=C14531.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #31C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O[Si](C)(C)C)=COC3=C2)C(O)C(O)C1O4329.2Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #32C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O)=COC3=C2)C(O[Si](C)(C)C)C(O)C1O4406.3Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #33C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4O[Si](C)(C)C)=COC3=C2)C(O[Si](C)(C)C)C(O)C1O4349.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #34C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O[Si](C)(C)C)=COC3=C2)C(O[Si](C)(C)C)C(O)C1O4397.1Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #35C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)=C14439.2Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #4C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4568.5Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #5C[Si](C)(C)OC1=CC(OC2OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1C(=O)C(C1=CC=C(O)C=C1O)=CO24593.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #6C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)=C14494.7Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #7C[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC(O[Si](C)(C)C)=C2C1=O4446.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #8C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)=C14632.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),4TMS,isomer #9C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)=C14490.6Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),5TMS,isomer #1C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O)=COC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4368.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),5TMS,isomer #10C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)=C14508.1Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),5TMS,isomer #11C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O[Si](C)(C)C)=COC3=C2)C(O)C(O[Si](C)(C)C)C1O4301.3Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),5TMS,isomer #12C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O)=COC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4376.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),5TMS,isomer #13C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4O[Si](C)(C)C)=COC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4323.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),5TMS,isomer #14C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O[Si](C)(C)C)=COC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4364.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),5TMS,isomer #15C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)=C14393.5Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),5TMS,isomer #16C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O[Si](C)(C)C)=COC3=C2)C(O)C(O)C1O[Si](C)(C)C4302.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),5TMS,isomer #17C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O)=COC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4397.6Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),5TMS,isomer #18C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4O[Si](C)(C)C)=COC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4341.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),5TMS,isomer #19C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O[Si](C)(C)C)=COC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4385.1Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),5TMS,isomer #2C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4O[Si](C)(C)C)=COC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4315.7Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),5TMS,isomer #20C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)=C14413.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),5TMS,isomer #21C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O[Si](C)(C)C)=COC3=C2)C(O[Si](C)(C)C)C(O)C1O4312.7Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),5TMS,isomer #3C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4440.5Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),5TMS,isomer #4C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O[Si](C)(C)C)=COC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4354.2Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),5TMS,isomer #5C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C)C=C4O)=COC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4483.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),5TMS,isomer #6C[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O[Si](C)(C)C)=COC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4433.6Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),5TMS,isomer #7C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)=C14511.2Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),5TMS,isomer #8C[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C1=O4459.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),5TMS,isomer #9C[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)=C14383.9Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(O)C(COC(=O)CC(=O)O)OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C1O5146.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(COC(=O)CC(=O)O)OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O)C1O5140.2Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O)C(O)C1O5081.5Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(COC(=O)CC(=O)O)C(O)C(O)C2O)=CC2=C1C(=O)C(C1=CC=C(O)C=C1O)=CO25076.9Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)=CC(O)=C2C1=O5038.9Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)=C15080.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)OC(COC(=O)CC(=O)O)C(O)C1O5157.9Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(COC(=O)CC(=O)O)OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O)C1O[Si](C)(C)C(C)(C)C5197.1Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=CC(O)=C2C1=O5070.3Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1C(COC(=O)CC(=O)O)OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O[Si](C)(C)C(C)(C)C)C1O5232.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O)C(O)C1O5058.2Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4O)=COC3=C2)C(O)C(O)C1O5076.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O[Si](C)(C)C(C)(C)C)=COC3=C2)C(O)C(O)C1O5018.2Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5115.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(COC(=O)CC(=O)O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C(C1=CC=C(O)C=C1O)=CO25132.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)=C15096.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O5041.1Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)=C15056.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5087.3Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2C1=O5090.1Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)=C15136.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC2=C1C(=O)C(C1=CC=C(O)C=C1O)=CO25102.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C2=O)C(O)=C15113.7Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=CC(O)=C2C1=O5056.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)OC(COC(=O)CC(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C5199.3Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5097.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC2=C1C(=O)C(C1=CC=C(O)C=C1O)=CO25108.5Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)=C15116.7Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5167.7Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C(C1=CC=C(O)C=C1O)=CO25204.5Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)=C15171.7Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O5096.1Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)=C15235.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)=C15138.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2C1=O5173.2Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5102.6Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4O)=COC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5133.6Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O[Si](C)(C)C(C)(C)C)=COC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5070.5Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C5201.1Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC2=C1C(=O)C(C1=CC=C(O)C=C1O)=CO25196.5Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C(C1=CC=C(O)C=C1O)=CO25227.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)=C15178.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O5114.7Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)=C15255.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)=C15146.7Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2C1=O5196.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4O)=COC3=C2)C(O)C(O)C1O5150.7Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4O[Si](C)(C)C(C)(C)C)=COC3=C2)C(O)C(O)C1O5076.7Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5124.3Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4O[Si](C)(C)C(C)(C)C)=COC3=C2)C(O)C(O)C1O5118.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C2=O)C(O)=C15225.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4O)=COC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5154.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O[Si](C)(C)C(C)(C)C)=COC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5091.4Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)=C15194.8Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O5130.3Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)=C15161.9Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)=C15163.1Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=CC=C1C1=COC2=CC(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=CC(O)=C2C1=O5165.0Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(COC(=O)CC(=O)O)OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5317.2Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5100.7Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4O)=COC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5133.1Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O[Si](C)(C)C(C)(C)C)=COC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5065.7Semi standard non polar33892256
2'-Hydroxygenistein 7-(6''-malonylglucoside),3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=C(O)C=C4O)=COC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O5175.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (Non-derivatized) - 70eV, Positivesplash10-00kr-9231230000-25e9dbfbbffe523115ee2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (2 TMS) - 70eV, Positivesplash10-03dr-9274057000-7ff3a9c06b903a88a3de2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) GC-MS (TMS_2_17) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) 10V, Positive-QTOFsplash10-000i-2090660000-31299bf77302688b9c6e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) 20V, Positive-QTOFsplash10-000i-1090100000-e49b34f2ada7b48667342016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) 40V, Positive-QTOFsplash10-000i-3390000000-f894814445d9acad81d02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) 10V, Negative-QTOFsplash10-0f8i-9760560000-82bea76087312676880b2016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) 20V, Negative-QTOFsplash10-0f79-7690200000-d200250284ffd636c7372016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) 40V, Negative-QTOFsplash10-053i-5590000000-0c2357544a92ebc7b9b62016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) 10V, Positive-QTOFsplash10-000i-1070390000-47b51491e5f2339687a22021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) 20V, Positive-QTOFsplash10-000i-0293300000-fd4b8f8259206a1e92ba2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) 40V, Positive-QTOFsplash10-000i-8390110000-a6def9ce9fb122c9db1d2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) 10V, Negative-QTOFsplash10-0079-0020910000-6d952b7c7bfbacd639712021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) 20V, Negative-QTOFsplash10-052r-7062900000-e71427648522390f96662021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2'-Hydroxygenistein 7-(6''-malonylglucoside) 40V, Negative-QTOFsplash10-0006-9130000000-054e084c0139ea08b3e82021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB018785
KNApSAcK IDC00019704
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131752588
PDB IDNot Available
ChEBI ID175967
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .