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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2012-09-12 03:39:24 UTC

Update Date

2022-03-07 02:57:10 UTC

HMDB ID

HMDB0041736

Secondary Accession Numbers

HMDB41736

Metabolite Identification

Common Name

Genistein 4',7-O-diglucuronide

Description

Genistein 4',7-O-diglucuronide 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. Based on a literature review very few articles have been published on Genistein 4',7-O-diglucuronide.

Structure

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


  Mrv0541 02271201292D          

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M  END

HMDB0041736
     RDKit          3D
Genistein 4',7-O-diglucuronide
 70 74  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv0541 02271201292D          

 44 48  0  0  0  0            999 V2000
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    5.2157   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5012   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9301   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9302   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5012   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0723   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0723   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3578   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 15 16  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  1  0  0  0  0
 26 18  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 25 27  1  6  0  0  0
 24 28  1  1  0  0  0
 23 29  1  6  0  0  0
 22 30  1  1  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 38 19  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 33 38  1  0  0  0  0
 37 39  1  6  0  0  0
 36 40  1  1  0  0  0
 35 41  1  6  0  0  0
 34 42  1  1  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0041736

> <DATABASE_NAME>
hmdb

> <SMILES>
O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)C2=COC3=C(C(O)=CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=C3)C2=O)O[C@@H]([C@H]1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H26O17/c28-12-5-10(42-27-21(35)17(31)19(33)23(44-27)25(38)39)6-13-14(12)15(29)11(7-40-13)8-1-3-9(4-2-8)41-26-20(34)16(30)18(32)22(43-26)24(36)37/h1-7,16-23,26-28,30-35H,(H,36,37)(H,38,39)/t16-,17-,18-,19-,20+,21+,22-,23-,26+,27+/m0/s1

> <INCHI_KEY>
DFJSPRNCKDBZIJ-MWBUVXCNSA-N

> <FORMULA>
C27H26O17

> <MOLECULAR_WEIGHT>
622.4851

> <EXACT_MASS>
622.116999406

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
57.555255403775874

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4S,5R,6S)-6-[4-(7-{[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-4-oxo-4H-chromen-3-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
0.20

> <JCHEM_LOGP>
-0.8187147209999992

> <ALOGPS_LOGS>
-2.53

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.318600689894899

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.6060677285722846

> <JCHEM_PKA_STRONGEST_BASIC>
-3.73199864980434

> <JCHEM_POLAR_SURFACE_AREA>
279.42999999999995

> <JCHEM_REFRACTIVITY>
135.7065

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.83e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R,6S)-6-[4-(7-{[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-4-oxochromen-3-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0041736
     RDKit          3D
Genistein 4',7-O-diglucuronide
 70 74  0  0  0  0  0  0  0  0999 V2000
   10.1785    1.5051   -1.5913 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0944    1.5227   -0.9571 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9482    1.9116   -1.6127 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0961    1.1258    0.4657 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8469    1.1677    1.0147 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9347    0.2327    0.6056 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0460    0.6723   -0.3561 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6773    0.7680   -0.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0086    1.2512   -1.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6579    1.3595   -1.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8661    1.0230   -0.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4189    1.1632   -0.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2070    2.2707   -0.9158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5123    2.3752   -0.9518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3287    1.4501   -0.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6897    1.6150   -0.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5652    0.6420   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8845    0.8983   -0.1959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8995    0.0492    0.2232 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.6848   -0.2185   -0.9071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5685   -1.2535   -0.7186 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.7597   -1.1731   -1.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9706   -0.2622   -2.4274 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7186   -2.1711   -1.4761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9938   -1.4188    0.7052 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.1709   -2.2677    1.4266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0754   -0.0253    1.3273 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.9745    0.7061    0.5433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7457    0.6562    1.3306 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.1165    0.3684    2.5385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0012   -0.4668    0.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5998   -0.6803    0.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1566   -1.8410    1.0775 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7670    0.2971    0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4039    0.1450    0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1271   -0.8699    0.5860 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5397    0.5504    0.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9327    0.4200    0.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5847   -1.0566    0.1308 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7033   -2.1317    0.1544 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8071   -1.2981    0.9985 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3436   -2.5265    0.6406 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7939   -0.2130    0.6370 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8056   -0.1664    1.5972 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8817    2.8491   -2.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7168    1.8979    1.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3538   -0.0765    1.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5566    1.5403   -2.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1521    1.7324   -2.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4120    3.0674   -1.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    2.5461   -1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4728   -0.8723    0.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0382   -2.2040   -1.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5699   -2.0467   -0.9611 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0135   -1.8731    0.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6982   -2.9327    0.8341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5277   -0.1090    2.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8922    0.3666    0.7462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7951    1.7560    1.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4354    0.9409    3.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5931   -1.2703    0.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3217   -2.2660    1.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9445    0.2820    1.6231 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4059    0.0438    1.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9229   -0.8926   -0.9066 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2723   -2.9583    0.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5521   -1.2953    2.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0565   -2.8150    1.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2222   -0.5171   -0.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3420   -0.9995    1.4614 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  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 21 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 17 31  2  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 34 35  1  0
 35 36  2  0
 11 37  1  0
 37 38  2  0
  6 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 43  4  1  0
 38  8  1  0
 35 12  1  0
 34 15  1  0
 29 19  1  0
  3 45  1  0
  4 46  1  1
  6 47  1  1
  9 48  1  0
 10 49  1  0
 13 50  1  0
 16 51  1  0
 19 52  1  1
 21 53  1  6
 24 54  1  0
 25 55  1  6
 26 56  1  0
 27 57  1  1
 28 58  1  0
 29 59  1  6
 30 60  1  0
 31 61  1  0
 33 62  1  0
 37 63  1  0
 38 64  1  0
 39 65  1  6
 40 66  1  0
 41 67  1  1
 42 68  1  0
 43 69  1  6
 44 70  1  0
M  END

HEADER    PROTEIN                                 27-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-FEB-12         0                                  
HETATM    1  C   UNK     0       4.401  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.735  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.069  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.069  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.735  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.401  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.067  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.067  -0.770   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.734   0.000   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       0.400  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.934   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.267  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.267  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.934  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.400  -2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.734  -3.080   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       1.734  -4.620   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -3.601   0.000   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       8.402  -5.390   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -0.934  -4.620   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -6.268   0.000   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -7.602  -0.770   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -7.602  -2.310   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -6.268  -3.080   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -4.935  -2.310   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -4.935  -0.770   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -3.601  -3.080   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -6.268  -4.620   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -8.936  -3.080   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -8.936   0.000   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0     -10.269  -0.770   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -8.936   1.540   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       7.069  -7.700   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       7.069  -9.240   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       8.402 -10.010   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       9.736  -9.240   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       9.736  -7.700   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       8.402  -6.930   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      11.070  -6.930   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      11.070 -10.010   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       8.402 -11.550   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       5.735 -10.010   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       5.735 -11.550   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       4.401  -9.240   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   19                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6    8   16                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   18                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   20                                                  
CONECT   15   14   10   16                                                  
CONECT   16   15    7   17                                                  
CONECT   17   16                                                            
CONECT   18   12   26                                                       
CONECT   19    3   38                                                       
CONECT   20   14                                                            
CONECT   21   22   26                                                       
CONECT   22   21   23   30                                                  
CONECT   23   22   24   29                                                  
CONECT   24   23   25   28                                                  
CONECT   25   24   26   27                                                  
CONECT   26   18   25   21                                                  
CONECT   27   25                                                            
CONECT   28   24                                                            
CONECT   29   23                                                            
CONECT   30   22   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33   34   38                                                       
CONECT   34   33   35   42                                                  
CONECT   35   34   36   41                                                  
CONECT   36   35   37   40                                                  
CONECT   37   36   38   39                                                  
CONECT   38   19   37   33                                                  
CONECT   39   37                                                            
CONECT   40   36                                                            
CONECT   41   35                                                            
CONECT   42   34   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

COMPND    HMDB0041736
HETATM    1  O1  UNL     1      10.179   1.505  -1.591  1.00  0.00           O  
HETATM    2  C1  UNL     1       9.094   1.523  -0.957  1.00  0.00           C  
HETATM    3  O2  UNL     1       7.948   1.912  -1.613  1.00  0.00           O  
HETATM    4  C2  UNL     1       9.096   1.126   0.466  1.00  0.00           C  
HETATM    5  O3  UNL     1       7.847   1.168   1.015  1.00  0.00           O  
HETATM    6  C3  UNL     1       6.935   0.233   0.606  1.00  0.00           C  
HETATM    7  O4  UNL     1       6.046   0.672  -0.356  1.00  0.00           O  
HETATM    8  C4  UNL     1       4.677   0.768  -0.301  1.00  0.00           C  
HETATM    9  C5  UNL     1       4.009   1.251  -1.442  1.00  0.00           C  
HETATM   10  C6  UNL     1       2.658   1.360  -1.424  1.00  0.00           C  
HETATM   11  C7  UNL     1       1.866   1.023  -0.342  1.00  0.00           C  
HETATM   12  C8  UNL     1       0.419   1.163  -0.391  1.00  0.00           C  
HETATM   13  C9  UNL     1      -0.207   2.271  -0.916  1.00  0.00           C  
HETATM   14  O5  UNL     1      -1.512   2.375  -0.952  1.00  0.00           O  
HETATM   15  C10 UNL     1      -2.329   1.450  -0.500  1.00  0.00           C  
HETATM   16  C11 UNL     1      -3.690   1.615  -0.564  1.00  0.00           C  
HETATM   17  C12 UNL     1      -4.565   0.642  -0.087  1.00  0.00           C  
HETATM   18  O6  UNL     1      -5.884   0.898  -0.196  1.00  0.00           O  
HETATM   19  C13 UNL     1      -6.899   0.049   0.223  1.00  0.00           C  
HETATM   20  O7  UNL     1      -7.685  -0.219  -0.907  1.00  0.00           O  
HETATM   21  C14 UNL     1      -8.568  -1.254  -0.719  1.00  0.00           C  
HETATM   22  C15 UNL     1      -9.760  -1.173  -1.588  1.00  0.00           C  
HETATM   23  O8  UNL     1      -9.971  -0.262  -2.427  1.00  0.00           O  
HETATM   24  O9  UNL     1     -10.719  -2.171  -1.476  1.00  0.00           O  
HETATM   25  C16 UNL     1      -8.994  -1.419   0.705  1.00  0.00           C  
HETATM   26  O10 UNL     1      -8.171  -2.268   1.427  1.00  0.00           O  
HETATM   27  C17 UNL     1      -9.075  -0.025   1.327  1.00  0.00           C  
HETATM   28  O11 UNL     1      -9.975   0.706   0.543  1.00  0.00           O  
HETATM   29  C18 UNL     1      -7.746   0.656   1.331  1.00  0.00           C  
HETATM   30  O12 UNL     1      -7.116   0.368   2.539  1.00  0.00           O  
HETATM   31  C19 UNL     1      -4.001  -0.467   0.438  1.00  0.00           C  
HETATM   32  C20 UNL     1      -2.600  -0.680   0.525  1.00  0.00           C  
HETATM   33  O13 UNL     1      -2.157  -1.841   1.077  1.00  0.00           O  
HETATM   34  C21 UNL     1      -1.767   0.297   0.047  1.00  0.00           C  
HETATM   35  C22 UNL     1      -0.404   0.145   0.106  1.00  0.00           C  
HETATM   36  O14 UNL     1       0.127  -0.870   0.586  1.00  0.00           O  
HETATM   37  C23 UNL     1       2.540   0.550   0.769  1.00  0.00           C  
HETATM   38  C24 UNL     1       3.933   0.420   0.800  1.00  0.00           C  
HETATM   39  C25 UNL     1       7.585  -1.057   0.131  1.00  0.00           C  
HETATM   40  O15 UNL     1       6.703  -2.132   0.154  1.00  0.00           O  
HETATM   41  C26 UNL     1       8.807  -1.298   0.998  1.00  0.00           C  
HETATM   42  O16 UNL     1       9.344  -2.527   0.641  1.00  0.00           O  
HETATM   43  C27 UNL     1       9.794  -0.213   0.637  1.00  0.00           C  
HETATM   44  O17 UNL     1      10.806  -0.166   1.597  1.00  0.00           O  
HETATM   45  H1  UNL     1       7.882   2.849  -2.008  1.00  0.00           H  
HETATM   46  H2  UNL     1       9.717   1.898   1.015  1.00  0.00           H  
HETATM   47  H3  UNL     1       6.354  -0.076   1.522  1.00  0.00           H  
HETATM   48  H4  UNL     1       4.557   1.540  -2.338  1.00  0.00           H  
HETATM   49  H5  UNL     1       2.152   1.732  -2.311  1.00  0.00           H  
HETATM   50  H6  UNL     1       0.412   3.067  -1.304  1.00  0.00           H  
HETATM   51  H7  UNL     1      -4.051   2.546  -1.007  1.00  0.00           H  
HETATM   52  H8  UNL     1      -6.473  -0.872   0.646  1.00  0.00           H  
HETATM   53  H9  UNL     1      -8.038  -2.204  -1.013  1.00  0.00           H  
HETATM   54  H10 UNL     1     -11.570  -2.047  -0.961  1.00  0.00           H  
HETATM   55  H11 UNL     1     -10.013  -1.873   0.724  1.00  0.00           H  
HETATM   56  H12 UNL     1      -7.698  -2.933   0.834  1.00  0.00           H  
HETATM   57  H13 UNL     1      -9.528  -0.109   2.346  1.00  0.00           H  
HETATM   58  H14 UNL     1     -10.892   0.367   0.746  1.00  0.00           H  
HETATM   59  H15 UNL     1      -7.795   1.756   1.244  1.00  0.00           H  
HETATM   60  H16 UNL     1      -7.435   0.941   3.272  1.00  0.00           H  
HETATM   61  H17 UNL     1      -4.593  -1.270   0.830  1.00  0.00           H  
HETATM   62  H18 UNL     1      -1.322  -2.266   1.271  1.00  0.00           H  
HETATM   63  H19 UNL     1       1.945   0.282   1.623  1.00  0.00           H  
HETATM   64  H20 UNL     1       4.406   0.044   1.697  1.00  0.00           H  
HETATM   65  H21 UNL     1       7.923  -0.893  -0.907  1.00  0.00           H  
HETATM   66  H22 UNL     1       7.272  -2.958   0.251  1.00  0.00           H  
HETATM   67  H23 UNL     1       8.552  -1.295   2.078  1.00  0.00           H  
HETATM   68  H24 UNL     1      10.057  -2.815   1.282  1.00  0.00           H  
HETATM   69  H25 UNL     1      10.222  -0.517  -0.359  1.00  0.00           H  
HETATM   70  H26 UNL     1      11.342  -0.999   1.461  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   45
CONECT    4    5   43   46
CONECT    5    6
CONECT    6    7   39   47
CONECT    7    8
CONECT    8    9    9   38
CONECT    9   10   48
CONECT   10   11   11   49
CONECT   11   12   37
CONECT   12   13   13   35
CONECT   13   14   50
CONECT   14   15
CONECT   15   16   16   34
CONECT   16   17   51
CONECT   17   18   31   31
CONECT   18   19
CONECT   19   20   29   52
CONECT   20   21
CONECT   21   22   25   53
CONECT   22   23   23   24
CONECT   24   54
CONECT   25   26   27   55
CONECT   26   56
CONECT   27   28   29   57
CONECT   28   58
CONECT   29   30   59
CONECT   30   60
CONECT   31   32   61
CONECT   32   33   34   34
CONECT   33   62
CONECT   34   35
CONECT   35   36   36
CONECT   37   38   38   63
CONECT   38   64
CONECT   39   40   41   65
CONECT   40   66
CONECT   41   42   43   67
CONECT   42   68
CONECT   43   44   69
CONECT   44   70
END

HMDB0041736
     RDKit          3D
Genistein 4',7-O-diglucuronide
 70 74  0  0  0  0  0  0  0  0999 V2000
   10.1785    1.5051   -1.5913 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0944    1.5227   -0.9571 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9482    1.9116   -1.6127 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0961    1.1258    0.4657 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8469    1.1677    1.0147 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9347    0.2327    0.6056 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0460    0.6723   -0.3561 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6773    0.7680   -0.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0086    1.2512   -1.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6579    1.3595   -1.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8661    1.0230   -0.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4189    1.1632   -0.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2070    2.2707   -0.9158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5123    2.3752   -0.9518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3287    1.4501   -0.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6897    1.6150   -0.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5652    0.6420   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8845    0.8983   -0.1959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8995    0.0492    0.2232 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.6848   -0.2185   -0.9071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5685   -1.2535   -0.7186 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.7597   -1.1731   -1.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9706   -0.2622   -2.4274 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7186   -2.1711   -1.4761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9938   -1.4188    0.7052 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.1709   -2.2677    1.4266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0754   -0.0253    1.3273 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.9745    0.7061    0.5433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7457    0.6562    1.3306 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.1165    0.3684    2.5385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0012   -0.4668    0.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5998   -0.6803    0.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1566   -1.8410    1.0775 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7670    0.2971    0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4039    0.1450    0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1271   -0.8699    0.5860 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5397    0.5504    0.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9327    0.4200    0.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5847   -1.0566    0.1308 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7033   -2.1317    0.1544 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8071   -1.2981    0.9985 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3436   -2.5265    0.6406 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7939   -0.2130    0.6370 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8056   -0.1664    1.5972 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8817    2.8491   -2.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7168    1.8979    1.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3538   -0.0765    1.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5566    1.5403   -2.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1521    1.7324   -2.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4120    3.0674   -1.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    2.5461   -1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4728   -0.8723    0.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0382   -2.2040   -1.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5699   -2.0467   -0.9611 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0135   -1.8731    0.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6982   -2.9327    0.8341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5277   -0.1090    2.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8922    0.3666    0.7462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7951    1.7560    1.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4354    0.9409    3.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5931   -1.2703    0.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3217   -2.2660    1.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9445    0.2820    1.6231 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4059    0.0438    1.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9229   -0.8926   -0.9066 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2723   -2.9583    0.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5521   -1.2953    2.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0565   -2.8150    1.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2222   -0.5171   -0.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3420   -0.9995    1.4614 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  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 21 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 17 31  2  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 34 35  1  0
 35 36  2  0
 11 37  1  0
 37 38  2  0
  6 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 43  4  1  0
 38  8  1  0
 35 12  1  0
 34 15  1  0
 29 19  1  0
  3 45  1  0
  4 46  1  1
  6 47  1  1
  9 48  1  0
 10 49  1  0
 13 50  1  0
 16 51  1  0
 19 52  1  1
 21 53  1  6
 24 54  1  0
 25 55  1  6
 26 56  1  0
 27 57  1  1
 28 58  1  0
 29 59  1  6
 30 60  1  0
 31 61  1  0
 33 62  1  0
 37 63  1  0
 38 64  1  0
 39 65  1  6
 40 66  1  0
 41 67  1  1
 42 68  1  0
 43 69  1  6
 44 70  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(2S,3S,4S,5R,6S)-6-[4-(7-{[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-4-oxo-4H-chromen-3-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylate	HMDB

Chemical Formula

C₂₇H₂₆O₁₇

Average Molecular Weight

622.4851

Monoisotopic Molecular Weight

622.116999406

IUPAC Name

(2S,3S,4S,5R,6S)-6-[4-(7-{[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-4-oxo-4H-chromen-3-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Traditional Name

(2S,3S,4S,5R,6S)-6-[4-(7-{[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-4-oxochromen-3-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)C2=COC3=C(C(O)=CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=C3)C2=O)O[C@@H]([C@H]1O)C(O)=O

InChI Identifier

InChI=1S/C27H26O17/c28-12-5-10(42-27-21(35)17(31)19(33)23(44-27)25(38)39)6-13-14(12)15(29)11(7-40-13)8-1-3-9(4-2-8)41-26-20(34)16(30)18(32)22(43-26)24(36)37/h1-7,16-23,26-28,30-35H,(H,36,37)(H,38,39)/t16-,17-,18-,19-,20+,21+,22-,23-,26+,27+/m0/s1

InChI Key

DFJSPRNCKDBZIJ-MWBUVXCNSA-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.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Isoflavonoid O-glycosides

Direct Parent

Isoflavonoid O-glycosides

Alternative Parents

Substituents

Isoflavonoid-4p-o-glycoside
Isoflavonoid-7-o-glycoside
Isoflavonoid o-glycoside
Hydroxyisoflavonoid
Isoflavone
Phenolic glycoside
O-glucuronide
1-o-glucuronide
Glucuronic acid or derivatives
O-glycosyl compound
Chromone
Glycosyl compound
Benzopyran
1-benzopyran
Phenol ether
Phenoxy compound
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Pyranone
Beta-hydroxy acid
Monocyclic benzene moiety
Dicarboxylic acid or derivatives
Hydroxy acid
Benzenoid
Monosaccharide
Pyran
Oxane
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Carboxylic acid
Carboxylic acid derivative
Acetal
Polyol
Alcohol
Hydrocarbon derivative
Organic oxygen compound
Organic oxide
Carbonyl group
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 32966057)

Organ

Liver (HMDB: HMDB0041736)
Kidney (HMDB: HMDB0041736)

Excreta

Biofluid or Excreta

Urine (PMID: 32966057)

Cellular substructure

Extracellular (HMDB: HMDB0041736)
Cytoplasm (HMDB: HMDB0041736)

Source

Endogenous

Endogenous (HMDB: HMDB0041736)

Plant

Plant (HMDB: HMDB0041736)

Exogenous

Food

Food (HMDB: HMDB0041736)
Legumes (HMDB: HMDB0041736)

Soy

Soy (HMDB: HMDB0041736)

Exogenous (HMDB: HMDB0041736)

Process

Not Available

Role

Biological role

Waste product (HMDB: HMDB0041736)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.83 g/L	ALOGPS
logP	0.2	ALOGPS
logP	-0.82	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	2.61	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	279.43 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	135.71 m³·mol⁻¹	ChemAxon
Polarizability	57.56 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]+	224.028	30932474
DeepCCS	[M-H]-	222.174	30932474
DeepCCS	[M-2H]-	255.726	30932474
DeepCCS	[M+Na]+	229.634	30932474
AllCCS	[M+H]+	229.6	32859911
AllCCS	[M+H-H2O]+	228.6	32859911
AllCCS	[M+NH4]+	230.6	32859911
AllCCS	[M+Na]+	230.8	32859911
AllCCS	[M-H]-	226.1	32859911
AllCCS	[M+Na-2H]-	228.2	32859911
AllCCS	[M+HCOO]-	230.7	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022.	4.41 minutes	32390414
Predicted by Siyang on May 30, 2022	12.1008 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	7.24 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	280.7 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	1853.4 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	234.6 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	96.6 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	199.3 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	116.1 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	353.6 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	406.5 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	672.3 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	732.5 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	377.3 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	1361.7 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	287.3 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	296.1 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	545.6 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	352.7 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	369.7 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Genistein 4',7-O-diglucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)C2=COC3=C(C(O)=CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=C3)C2=O)O[C@@H]([C@H]1O)C(O)=O	5887.9	Standard polar	33892256
Genistein 4',7-O-diglucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)C2=COC3=C(C(O)=CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=C3)C2=O)O[C@@H]([C@H]1O)C(O)=O	4734.8	Standard non polar	33892256
Genistein 4',7-O-diglucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)C2=COC3=C(C(O)=CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=C3)C2=O)O[C@@H]([C@H]1O)C(O)=O	5581.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Genistein 4',7-O-diglucuronide,1TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)O[C@H](C(=O)O)[C@H]1O	5406.1	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,1TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O	5425.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,1TMS,isomer #3	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C=C1)=CO2	5399.8	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,1TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@H]1O	5428.6	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,1TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)O[C@H](C(=O)O)[C@H]1O	5401.1	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,1TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O	5428.0	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,1TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	5378.2	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,1TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@H]1O	5432.1	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,1TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5377.6	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@@H]1O[Si](C)(C)C	5277.0	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@H]1O	5284.3	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)C=C4)=COC3=C2)O[C@H](C(=O)O)[C@H]1O	5244.0	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)=CC(O)=C4C3=O)C=C2)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O	5283.2	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #13	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C=C1)=CO2	5264.0	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5251.4	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O[Si](C)(C)C)[C@H]1O	5286.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	5231.1	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #17	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C=C1)=CO2	5261.6	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #18	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C=C1)=CO2	5227.3	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #19	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C=C1)=CO2	5265.2	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	5221.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #20	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O[Si](C)(C)C)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5231.7	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #21	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C=C1)=CO2	5263.5	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5257.7	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5248.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #24	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@H]1O	5288.6	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@H]1O	5285.7	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #26	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@H]1O[Si](C)(C)C	5272.2	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #27	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@@H]1O[Si](C)(C)C	5275.8	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5218.6	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #29	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)C=C4)=COC3=C2)O[C@H](C(=O)O)[C@H]1O	5247.4	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)O[C@H](C(=O)O)[C@H]1O	5247.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #30	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5217.3	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #31	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5249.7	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #32	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@H]1O	5287.4	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #33	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5252.2	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #34	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5208.5	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #35	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	5252.0	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #36	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5259.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)=CC(O)=C4C3=O)C=C2)O[C@H](C(=O)O)[C@H]1O	5208.6	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)=CC(O)=C4C3=O)C=C2)O[C@H](C(=O)O)[C@H]1O	5248.5	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #6	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C=C1)=CO2	5229.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5220.5	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@H]1O[Si](C)(C)C	5276.8	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	5249.5	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C	5156.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	5110.5	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5098.3	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5058.4	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5101.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #14	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O)=CC(O)=C4C3=O)C=C2)O[C@H](C(=O)O)[C@H]1O	5089.7	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@H]1O	5110.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #16	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C=C1)=CO2	5088.3	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5096.0	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@H]1O	5131.0	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #19	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)=CC(O)=C4C3=O)C=C2)O[C@H](C(=O)O)[C@H]1O	5094.8	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	5124.0	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #20	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C=C1)=CO2	5047.5	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5059.4	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #22	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O)C=C4)=COC3=C2)O[C@H](C(=O)O)[C@H]1O	5088.4	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #23	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C=C1)=CO2	5090.6	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #24	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5099.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #25	C[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O)C=C4)=COC3=C2)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O	5131.4	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O[Si](C)(C)C)=C4C3=O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5078.0	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #27	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C=C1)=CO2	5112.1	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	5121.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #29	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	5111.0	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	5113.1	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #30	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	5109.7	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #31	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	5125.3	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #32	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5130.6	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #33	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5095.8	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #34	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5133.8	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #35	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C=C1)=CO2	5128.1	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #36	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5129.5	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #37	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O[Si](C)(C)C)[C@H]1O	5146.6	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #38	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@H]1O	5146.1	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #39	C[Si](C)(C)O[C@H]1[C@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O)=CC(O)=C4C3=O)C=C2)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O	5130.3	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@@H]1O[Si](C)(C)C	5132.8	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #40	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)C=C4)=COC3=C2)[C@@H]1O[Si](C)(C)C	5132.1	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #41	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C=C1)=CO2	5089.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #42	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5097.3	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #43	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O[Si](C)(C)C)[C@H]1O	5109.5	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #44	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C=C1)=CO2	5131.1	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #45	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)=CC(O)=C4C3=O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5131.8	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #46	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)=CC(O)=C4C3=O)C=C2)[C@H](O[Si](C)(C)C)[C@H]1O	5145.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #47	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O[Si](C)(C)C)=C4C3=O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5114.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #48	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C=C1)=CO2	5128.4	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #49	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	5147.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C=C4)=COC3=C2)O[C@H](C(=O)O)[C@H]1O	5094.2	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #50	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]5O)=CC(O[Si](C)(C)C)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5102.6	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #51	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	5111.0	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #52	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5114.6	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #53	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5074.4	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #54	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5119.8	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #55	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C=C1)=CO2	5111.5	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #56	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C=C1)=CO2	5130.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #57	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)=CC(O[Si](C)(C)C)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5110.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #58	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C=C1)=CO2	5127.5	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #59	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C=C1)=CO2	5115.7	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)=CC(O)=C4C3=O)C=C2)[C@@H]1O[Si](C)(C)C	5133.5	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #60	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)=CC(O[Si](C)(C)C)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5070.0	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #61	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C=C1)=CO2	5088.6	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #62	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5112.7	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #63	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C=C1)=CO2	5129.5	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #64	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O[Si](C)(C)C)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5123.1	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #65	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5114.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #66	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5134.5	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #67	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	5146.7	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #68	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	5120.7	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #69	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5109.6	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #7	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=C1)=CO2	5117.2	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #70	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O[Si](C)(C)C)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5126.7	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #71	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5135.4	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #72	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@H]1O	5131.2	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #73	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@H]1O	5149.2	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #74	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C	5157.1	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #75	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	5122.8	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #76	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5114.3	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #77	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@@H]1O[Si](C)(C)C	5134.1	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #78	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5078.8	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #79	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5104.0	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	5070.4	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #80	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5095.8	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #81	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5111.8	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #82	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5137.1	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #83	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5131.7	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #84	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	5116.6	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,3TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	5080.8	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)O[C@H](C(=O)O)[C@H]1O	5581.5	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O	5599.0	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C=C1)=CO2	5612.4	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@H]1O	5599.1	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)O[C@H](C(=O)O)[C@H]1O	5576.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O	5599.7	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	5622.8	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@H]1O	5603.2	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5623.1	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@@H]1O[Si](C)(C)C(C)(C)C	5608.0	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@H]1O	5613.0	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)C=C4)=COC3=C2)O[C@H](C(=O)O)[C@H]1O	5588.3	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C=C2)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O	5616.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C=C1)=CO2	5625.8	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	5637.2	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5616.6	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	5653.3	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C=C1)=CO2	5617.2	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C=C1)=CO2	5591.7	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C=C1)=CO2	5626.0	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	5612.4	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5652.8	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C=C1)=CO2	5618.8	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	5639.6	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5632.6	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@H]1O	5614.5	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5617.0	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5601.3	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@@H]1O[Si](C)(C)C(C)(C)C	5606.3	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5609.8	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]5O)C=C4)=COC3=C2)O[C@H](C(=O)O)[C@H]1O	5589.3	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)O[C@H](C(=O)O)[C@H]1O	5589.5	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	5611.4	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5639.2	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@H]1O	5616.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	5637.6	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	5657.4	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	5634.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	5642.6	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)=CC(O)=C4C3=O)C=C2)O[C@H](C(=O)O)[C@H]1O	5563.7	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C=C2)O[C@H](C(=O)O)[C@H]1O	5593.5	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C(=O)C(C1=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C=C1)=CO2	5595.4	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	5616.4	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C(C3=COC4=CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(O)=C4C3=O)C=C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5604.9	Semi standard non polar	33892256
Genistein 4',7-O-diglucuronide,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	5637.4	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 - Genistein 4',7-O-diglucuronide GC-MS (Non-derivatized) - 70eV, Positive	splash10-0pdj-3200694000-953d2e20dcb03bf125d7	2017-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Genistein 4',7-O-diglucuronide GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-16	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 - Genistein 4',7-O-diglucuronide 10V, Positive-QTOF	splash10-056s-0000903000-d9819a81c501e59bf0d6	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Genistein 4',7-O-diglucuronide 20V, Positive-QTOF	splash10-00b9-0040900000-f56b701d8b7e22a8372d	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Genistein 4',7-O-diglucuronide 40V, Positive-QTOF	splash10-00b9-2491700000-7b1ee1b4e0ce66da46ef	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Genistein 4',7-O-diglucuronide 10V, Negative-QTOF	splash10-00ba-1102946000-9afdd985b11727b7801f	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Genistein 4',7-O-diglucuronide 20V, Negative-QTOF	splash10-0f92-1102931000-b80d8be7e71de699e1f3	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Genistein 4',7-O-diglucuronide 40V, Negative-QTOF	splash10-0002-3129610000-3110b1a86b6fecd30f0e	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Genistein 4',7-O-diglucuronide 10V, Positive-QTOF	splash10-05i1-0200419000-f378072222ae2133f5d9	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Genistein 4',7-O-diglucuronide 20V, Positive-QTOF	splash10-0571-0300963000-e6da17f2874876af2b90	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Genistein 4',7-O-diglucuronide 40V, Positive-QTOF	splash10-11ej-2200941000-e7fc6e56b4f53850b108	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Genistein 4',7-O-diglucuronide 10V, Negative-QTOF	splash10-00b9-0610916000-1ac0b331122d722c37f4	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Genistein 4',7-O-diglucuronide 20V, Negative-QTOF	splash10-002b-8111921000-11b51cecf3ba31c5a73a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Genistein 4',7-O-diglucuronide 40V, Negative-QTOF	splash10-000g-7277900000-46656e52456ec91e8273	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Blood
Urine

Tissue Locations

Kidney
Liver

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details
Blood	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details

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

FDB029903

KNApSAcK ID

Not Available

Chemspider ID

30777628

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101519310

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Neveu V, Perez-Jimenez J, Vos F, Crespy V, du Chaffaut L, Mennen L, Knox C, Eisner R, Cruz J, Wishart D, Scalbert A: Phenol-Explorer: an online comprehensive database on polyphenol contents in foods. Database (Oxford). 2010;2010:bap024. doi: 10.1093/database/bap024. Epub 2010 Jan 8. [PubMed:20428313 ]

Showing metabocard for Genistein 4',7-O-diglucuronide (HMDB0041736)

MOL for HMDB0041736 (Genistein 4',7-O-diglucuronide)

3D MOL for HMDB0041736 (Genistein 4',7-O-diglucuronide)

3D SDF for HMDB0041736 (Genistein 4',7-O-diglucuronide)

3D-SDF for HMDB0041736 (Genistein 4',7-O-diglucuronide)

PDB for HMDB0041736 (Genistein 4',7-O-diglucuronide)

3D PDB for HMDB0041736 (Genistein 4',7-O-diglucuronide)

SMILES for HMDB0041736 (Genistein 4',7-O-diglucuronide)

INCHI for HMDB0041736 (Genistein 4',7-O-diglucuronide)

Structure for HMDB0041736 (Genistein 4',7-O-diglucuronide)

3D Structure for HMDB0041736 (Genistein 4',7-O-diglucuronide)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra