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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:09:18 UTC

Update Date

2022-03-07 02:55:55 UTC

HMDB ID

HMDB0038809

Secondary Accession Numbers

HMDB38809

Metabolite Identification

Common Name

Luteolin 4'-glucoside 7-galacturonide

Description

Luteolin 4'-glucoside 7-galacturonide belongs to the class of organic compounds known as flavonoid-7-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position. Luteolin 4'-glucoside 7-galacturonide has been detected, but not quantified in, cumins (Cuminum cyminum) and herbs and spices. This could make luteolin 4'-glucoside 7-galacturonide a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Luteolin 4'-glucoside 7-galacturonide.

Structure

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


  Mrv0541 05061310402D          

 44 48  0  0  0  0            999 V2000
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 44 24  1  0  0  0  0
 44 26  1  0  0  0  0
M  END

HMDB0038809
     RDKit          3D
Luteolin 4'-glucoside 7-galacturonide
 72 76  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv0541 05061310402D          

 44 48  0  0  0  0            999 V2000
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  8  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  2  1  0  0  0  0
 13 10  2  0  0  0  0
 14  6  2  0  0  0  0
 14  8  1  0  0  0  0
 15  5  2  0  0  0  0
 16  7  1  0  0  0  0
 17 11  2  0  0  0  0
 17 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28  7  1  0  0  0  0
 29 10  1  0  0  0  0
 30 11  1  0  0  0  0
 31 12  2  0  0  0  0
 32 18  1  0  0  0  0
 33 19  1  0  0  0  0
 34 20  1  0  0  0  0
 35 21  1  0  0  0  0
 36 22  1  0  0  0  0
 37 23  1  0  0  0  0
 38 25  2  0  0  0  0
 39 25  1  0  0  0  0
 40  9  1  0  0  0  0
 40 26  1  0  0  0  0
 41 14  1  0  0  0  0
 41 15  1  0  0  0  0
 42 13  1  0  0  0  0
 42 27  1  0  0  0  0
 43 16  1  0  0  0  0
 43 27  1  0  0  0  0
 44 24  1  0  0  0  0
 44 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038809

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=C(O)C=C(C=C2)C2=CC(=O)C3=C(O)C=C(OC4OC(C(O)C(O)C4O)C(O)=O)C=C3O2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H28O17/c28-7-16-18(32)19(33)22(36)27(43-16)42-13-2-1-8(3-10(13)29)14-6-12(31)17-11(30)4-9(5-15(17)41-14)40-26-23(37)20(34)21(35)24(44-26)25(38)39/h1-6,16,18-24,26-30,32-37H,7H2,(H,38,39)

> <INCHI_KEY>
DUNZXXOAZWJFBE-UHFFFAOYSA-N

> <FORMULA>
C27H28O17

> <MOLECULAR_WEIGHT>
624.501

> <EXACT_MASS>
624.13264947

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
58.52727786835817

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid

> <ALOGPS_LOGP>
-0.28

> <JCHEM_LOGP>
-1.8127378366666664

> <ALOGPS_LOGS>
-2.35

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.460438115430113

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.739208385833783

> <JCHEM_PKA_STRONGEST_BASIC>
-3.686826778068572

> <JCHEM_POLAR_SURFACE_AREA>
282.59

> <JCHEM_REFRACTIVITY>
139.051

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.76e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0038809
     RDKit          3D
Luteolin 4'-glucoside 7-galacturonide
 72 76  0  0  0  0  0  0  0  0999 V2000
  -10.3787   -1.3586    2.6577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1971   -0.9711    2.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4296   -0.7788    3.6509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6044   -0.7186    1.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2811   -0.3029    1.3133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7422    0.1238    0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3778    0.2733    0.2585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3523   -0.3651   -0.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5472   -1.3127   -1.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4784   -1.9483   -2.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7986   -2.8650   -2.9711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2043   -1.5829   -1.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1022   -2.1474   -2.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2235   -3.0131   -3.1211 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1510   -1.7555   -1.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2831   -0.8153   -0.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5737   -0.3492   -0.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6562    0.6263    0.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8352    1.0871    1.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0657    0.6002    0.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2244    1.1075    1.1289 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5419    0.8992    0.9343 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2282    0.6464    2.1388 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4725    0.1125    1.9388 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3134   -1.3855    1.7669 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5391   -2.0103    1.5578 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3047    0.7431    0.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9017   -0.3017    0.1442 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6235    1.6508   -0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4238    1.0090   -1.2889 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2771    2.1521    0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5441    2.5605   -0.7179 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0005   -0.3646   -0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1685   -0.9006   -0.9128 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7691   -0.8217   -0.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7954   -0.3073   -0.3361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0090   -0.6361   -0.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0752   -0.0121   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3234    1.4550   -0.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3822    1.4760   -1.7133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6736    1.6285    0.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4567    2.4730   -0.4844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4221    0.2935    0.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5877    0.5441    1.1136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4030   -1.4789    4.3705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5891   -1.6567    0.5885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9801   -0.6105   -0.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5550   -1.6046   -1.6738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2680   -3.4217   -3.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -2.2275   -2.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7105    1.0108    1.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8757    1.8308    1.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7601    0.1311    0.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0222    0.2310    2.9216 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6227   -1.6762    0.9787 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9182   -1.7705    2.7434 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3874   -2.9172    1.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1861    1.2986    1.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8380   -0.1378   -0.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2390    2.5497   -0.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3139    1.6886   -2.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3389    2.9224    1.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7801    3.4585   -1.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1116   -1.6064   -1.6306 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7728   -1.5848   -1.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8522    0.7291    0.7301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6872    2.3038   -0.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2475    2.4027   -2.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6353    2.0962    1.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0341    3.3623   -0.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6907   -0.0679   -0.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4060    0.3077    0.6026 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  1  0
 10 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 20 33  1  0
 33 34  1  0
 33 35  2  0
 16 36  1  0
 36 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
 37 12  1  0
 35 17  1  0
 31 22  1  0
  3 45  1  0
  4 46  1  0
  6 47  1  0
  9 48  1  0
 11 49  1  0
 15 50  1  0
 18 51  1  0
 19 52  1  0
 22 53  1  0
 24 54  1  0
 25 55  1  0
 25 56  1  0
 26 57  1  0
 27 58  1  0
 28 59  1  0
 29 60  1  0
 30 61  1  0
 31 62  1  0
 32 63  1  0
 34 64  1  0
 35 65  1  0
 38 66  1  0
 39 67  1  0
 40 68  1  0
 41 69  1  0
 42 70  1  0
 43 71  1  0
 44 72  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.669   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      16.004   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      16.004   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      17.338  -0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      17.338  -2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      16.004  -3.080   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      14.671  -2.310   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      17.338   2.310   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      13.337   0.000   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      18.672   0.000   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      18.672  -3.080   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      16.004  -4.620   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      14.671  -0.770   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
CONECT    1    2    8                                                       
CONECT    2    1   13                                                       
CONECT    3    8   10                                                       
CONECT    4    9   11                                                       
CONECT    5    9   15                                                       
CONECT    6   12   14                                                       
CONECT    7   16   28                                                       
CONECT    8    1    3   14                                                  
CONECT    9    4    5   40                                                  
CONECT   10    3   13   29                                                  
CONECT   11    4   17   30                                                  
CONECT   12    6   17   31                                                  
CONECT   13    2   10   42                                                  
CONECT   14    6    8   41                                                  
CONECT   15    5   17   41                                                  
CONECT   16    7   18   43                                                  
CONECT   17   11   12   15                                                  
CONECT   18   16   19   32                                                  
CONECT   19   18   22   33                                                  
CONECT   20   21   23   34                                                  
CONECT   21   20   24   35                                                  
CONECT   22   19   27   36                                                  
CONECT   23   20   26   37                                                  
CONECT   24   21   25   44                                                  
CONECT   25   24   38   39                                                  
CONECT   26   23   40   44                                                  
CONECT   27   22   42   43                                                  
CONECT   28    7                                                            
CONECT   29   10                                                            
CONECT   30   11                                                            
CONECT   31   12                                                            
CONECT   32   18                                                            
CONECT   33   19                                                            
CONECT   34   20                                                            
CONECT   35   21                                                            
CONECT   36   22                                                            
CONECT   37   23                                                            
CONECT   38   25                                                            
CONECT   39   25                                                            
CONECT   40    9   26                                                       
CONECT   41   14   15                                                       
CONECT   42   13   27                                                       
CONECT   43   16   27                                                       
CONECT   44   24   26                                                       
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

COMPND    HMDB0038809
HETATM    1  O1  UNL     1     -10.379  -1.359   2.658  1.00  0.00           O  
HETATM    2  C1  UNL     1      -9.197  -0.971   2.489  1.00  0.00           C  
HETATM    3  O2  UNL     1      -8.430  -0.779   3.651  1.00  0.00           O  
HETATM    4  C2  UNL     1      -8.604  -0.719   1.163  1.00  0.00           C  
HETATM    5  O3  UNL     1      -7.281  -0.303   1.313  1.00  0.00           O  
HETATM    6  C3  UNL     1      -6.742   0.124   0.098  1.00  0.00           C  
HETATM    7  O4  UNL     1      -5.378   0.273   0.259  1.00  0.00           O  
HETATM    8  C4  UNL     1      -4.352  -0.365  -0.398  1.00  0.00           C  
HETATM    9  C5  UNL     1      -4.547  -1.313  -1.374  1.00  0.00           C  
HETATM   10  C6  UNL     1      -3.478  -1.948  -2.027  1.00  0.00           C  
HETATM   11  O5  UNL     1      -3.799  -2.865  -2.971  1.00  0.00           O  
HETATM   12  C7  UNL     1      -2.204  -1.583  -1.650  1.00  0.00           C  
HETATM   13  C8  UNL     1      -1.102  -2.147  -2.230  1.00  0.00           C  
HETATM   14  O6  UNL     1      -1.224  -3.013  -3.121  1.00  0.00           O  
HETATM   15  C9  UNL     1       0.151  -1.756  -1.826  1.00  0.00           C  
HETATM   16  C10 UNL     1       0.283  -0.815  -0.858  1.00  0.00           C  
HETATM   17  C11 UNL     1       1.574  -0.349  -0.378  1.00  0.00           C  
HETATM   18  C12 UNL     1       1.656   0.626   0.615  1.00  0.00           C  
HETATM   19  C13 UNL     1       2.835   1.087   1.092  1.00  0.00           C  
HETATM   20  C14 UNL     1       4.066   0.600   0.605  1.00  0.00           C  
HETATM   21  O7  UNL     1       5.224   1.108   1.129  1.00  0.00           O  
HETATM   22  C15 UNL     1       6.542   0.899   0.934  1.00  0.00           C  
HETATM   23  O8  UNL     1       7.228   0.646   2.139  1.00  0.00           O  
HETATM   24  C16 UNL     1       8.472   0.112   1.939  1.00  0.00           C  
HETATM   25  C17 UNL     1       8.313  -1.386   1.767  1.00  0.00           C  
HETATM   26  O9  UNL     1       9.539  -2.010   1.558  1.00  0.00           O  
HETATM   27  C18 UNL     1       9.305   0.743   0.888  1.00  0.00           C  
HETATM   28  O10 UNL     1       9.902  -0.302   0.144  1.00  0.00           O  
HETATM   29  C19 UNL     1       8.624   1.651  -0.059  1.00  0.00           C  
HETATM   30  O11 UNL     1       8.424   1.009  -1.289  1.00  0.00           O  
HETATM   31  C20 UNL     1       7.277   2.152   0.391  1.00  0.00           C  
HETATM   32  O12 UNL     1       6.544   2.560  -0.718  1.00  0.00           O  
HETATM   33  C21 UNL     1       4.001  -0.365  -0.376  1.00  0.00           C  
HETATM   34  O13 UNL     1       5.169  -0.901  -0.913  1.00  0.00           O  
HETATM   35  C22 UNL     1       2.769  -0.822  -0.849  1.00  0.00           C  
HETATM   36  O14 UNL     1      -0.795  -0.307  -0.336  1.00  0.00           O  
HETATM   37  C23 UNL     1      -2.009  -0.636  -0.676  1.00  0.00           C  
HETATM   38  C24 UNL     1      -3.075  -0.012  -0.034  1.00  0.00           C  
HETATM   39  C25 UNL     1      -7.323   1.455  -0.326  1.00  0.00           C  
HETATM   40  O15 UNL     1      -7.382   1.476  -1.713  1.00  0.00           O  
HETATM   41  C26 UNL     1      -8.674   1.628   0.297  1.00  0.00           C  
HETATM   42  O16 UNL     1      -9.457   2.473  -0.484  1.00  0.00           O  
HETATM   43  C27 UNL     1      -9.422   0.294   0.395  1.00  0.00           C  
HETATM   44  O17 UNL     1     -10.588   0.544   1.114  1.00  0.00           O  
HETATM   45  H1  UNL     1      -8.403  -1.479   4.370  1.00  0.00           H  
HETATM   46  H2  UNL     1      -8.589  -1.657   0.588  1.00  0.00           H  
HETATM   47  H3  UNL     1      -6.980  -0.611  -0.690  1.00  0.00           H  
HETATM   48  H4  UNL     1      -5.555  -1.605  -1.674  1.00  0.00           H  
HETATM   49  H5  UNL     1      -3.268  -3.422  -3.544  1.00  0.00           H  
HETATM   50  H6  UNL     1       1.016  -2.228  -2.310  1.00  0.00           H  
HETATM   51  H7  UNL     1       0.710   1.011   1.000  1.00  0.00           H  
HETATM   52  H8  UNL     1       2.876   1.831   1.848  1.00  0.00           H  
HETATM   53  H9  UNL     1       6.760   0.131   0.185  1.00  0.00           H  
HETATM   54  H10 UNL     1       9.022   0.231   2.922  1.00  0.00           H  
HETATM   55  H11 UNL     1       7.623  -1.676   0.979  1.00  0.00           H  
HETATM   56  H12 UNL     1       7.918  -1.771   2.743  1.00  0.00           H  
HETATM   57  H13 UNL     1       9.387  -2.917   1.192  1.00  0.00           H  
HETATM   58  H14 UNL     1      10.186   1.299   1.323  1.00  0.00           H  
HETATM   59  H15 UNL     1      10.838  -0.138  -0.055  1.00  0.00           H  
HETATM   60  H16 UNL     1       9.239   2.550  -0.289  1.00  0.00           H  
HETATM   61  H17 UNL     1       8.314   1.689  -2.026  1.00  0.00           H  
HETATM   62  H18 UNL     1       7.339   2.922   1.181  1.00  0.00           H  
HETATM   63  H19 UNL     1       6.780   3.458  -1.036  1.00  0.00           H  
HETATM   64  H20 UNL     1       5.112  -1.606  -1.631  1.00  0.00           H  
HETATM   65  H21 UNL     1       2.773  -1.585  -1.625  1.00  0.00           H  
HETATM   66  H22 UNL     1      -2.852   0.729   0.730  1.00  0.00           H  
HETATM   67  H23 UNL     1      -6.687   2.304  -0.004  1.00  0.00           H  
HETATM   68  H24 UNL     1      -7.247   2.403  -2.039  1.00  0.00           H  
HETATM   69  H25 UNL     1      -8.635   2.096   1.312  1.00  0.00           H  
HETATM   70  H26 UNL     1      -9.034   3.362  -0.479  1.00  0.00           H  
HETATM   71  H27 UNL     1      -9.691  -0.068  -0.610  1.00  0.00           H  
HETATM   72  H28 UNL     1     -11.406   0.308   0.603  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   12   12
CONECT   11   49
CONECT   12   13   37
CONECT   13   14   14   15
CONECT   15   16   16   50
CONECT   16   17   36
CONECT   17   18   18   35
CONECT   18   19   51
CONECT   19   20   20   52
CONECT   20   21   33
CONECT   21   22
CONECT   22   23   31   53
CONECT   23   24
CONECT   24   25   27   54
CONECT   25   26   55   56
CONECT   26   57
CONECT   27   28   29   58
CONECT   28   59
CONECT   29   30   31   60
CONECT   30   61
CONECT   31   32   62
CONECT   32   63
CONECT   33   34   35   35
CONECT   34   64
CONECT   35   65
CONECT   36   37
CONECT   37   38   38
CONECT   38   66
CONECT   39   40   41   67
CONECT   40   68
CONECT   41   42   43   69
CONECT   42   70
CONECT   43   44   71
CONECT   44   72
END

HMDB0038809
     RDKit          3D
Luteolin 4'-glucoside 7-galacturonide
 72 76  0  0  0  0  0  0  0  0999 V2000
  -10.3787   -1.3586    2.6577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1971   -0.9711    2.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4296   -0.7788    3.6509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6044   -0.7186    1.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2811   -0.3029    1.3133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7422    0.1238    0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3778    0.2733    0.2585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3523   -0.3651   -0.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5472   -1.3127   -1.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4784   -1.9483   -2.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7986   -2.8650   -2.9711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2043   -1.5829   -1.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1022   -2.1474   -2.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2235   -3.0131   -3.1211 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1510   -1.7555   -1.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2831   -0.8153   -0.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5737   -0.3492   -0.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6562    0.6263    0.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8352    1.0871    1.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0657    0.6002    0.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2244    1.1075    1.1289 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5419    0.8992    0.9343 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2282    0.6464    2.1388 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4725    0.1125    1.9388 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3134   -1.3855    1.7669 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5391   -2.0103    1.5578 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3047    0.7431    0.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9017   -0.3017    0.1442 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6235    1.6508   -0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4238    1.0090   -1.2889 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2771    2.1521    0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5441    2.5605   -0.7179 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0005   -0.3646   -0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1685   -0.9006   -0.9128 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7691   -0.8217   -0.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7954   -0.3073   -0.3361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0090   -0.6361   -0.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0752   -0.0121   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3234    1.4550   -0.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3822    1.4760   -1.7133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6736    1.6285    0.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4567    2.4730   -0.4844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4221    0.2935    0.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5877    0.5441    1.1136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4030   -1.4789    4.3705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5891   -1.6567    0.5885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9801   -0.6105   -0.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5550   -1.6046   -1.6738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2680   -3.4217   -3.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -2.2275   -2.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7105    1.0108    1.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8757    1.8308    1.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7601    0.1311    0.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0222    0.2310    2.9216 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6227   -1.6762    0.9787 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9182   -1.7705    2.7434 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3874   -2.9172    1.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1861    1.2986    1.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8380   -0.1378   -0.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2390    2.5497   -0.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3139    1.6886   -2.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3389    2.9224    1.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7801    3.4585   -1.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1116   -1.6064   -1.6306 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7728   -1.5848   -1.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8522    0.7291    0.7301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6872    2.3038   -0.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2475    2.4027   -2.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6353    2.0962    1.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0341    3.3623   -0.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6907   -0.0679   -0.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4060    0.3077    0.6026 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  1  0
 10 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 20 33  1  0
 33 34  1  0
 33 35  2  0
 16 36  1  0
 36 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
 37 12  1  0
 35 17  1  0
 31 22  1  0
  3 45  1  0
  4 46  1  0
  6 47  1  0
  9 48  1  0
 11 49  1  0
 15 50  1  0
 18 51  1  0
 19 52  1  0
 22 53  1  0
 24 54  1  0
 25 55  1  0
 25 56  1  0
 26 57  1  0
 27 58  1  0
 28 59  1  0
 29 60  1  0
 30 61  1  0
 31 62  1  0
 32 63  1  0
 34 64  1  0
 35 65  1  0
 38 66  1  0
 39 67  1  0
 40 68  1  0
 41 69  1  0
 42 70  1  0
 43 71  1  0
 44 72  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Luteolin 7-galacturonide-4'-glucoside	HMDB
3,4,5-Trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylate	Generator

Chemical Formula

C₂₇H₂₈O₁₇

Average Molecular Weight

624.501

Monoisotopic Molecular Weight

624.13264947

IUPAC Name

3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid

Traditional Name

3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylic acid

CAS Registry Number

126207-52-1

SMILES

OCC1OC(OC2=C(O)C=C(C=C2)C2=CC(=O)C3=C(O)C=C(OC4OC(C(O)C(O)C4O)C(O)=O)C=C3O2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C27H28O17/c28-7-16-18(32)19(33)22(36)27(43-16)42-13-2-1-8(3-10(13)29)14-6-12(31)17-11(30)4-9(5-15(17)41-14)40-26-23(37)20(34)21(35)24(44-26)25(38)39/h1-6,16,18-24,26-30,32-37H,7H2,(H,38,39)

InChI Key

DUNZXXOAZWJFBE-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-7-O-glucuronides

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0038809)
Cytoplasm (HMDB: HMDB0038809)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0038809)

Source

Exogenous

Exogenous (HMDB: HMDB0038809)

Food

Food (HMDB: HMDB0038809)

Herb and spice

Spice

Cumin (FooDB: FOOD00067)

Herbs and Spices (FooDB: FOOD00866)

Endogenous

Plant

Plant (HMDB: HMDB0038809)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0038809)

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	2.76 g/L	ALOGPS
logP	-0.28	ALOGPS
logP	-1.8	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	2.74	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	282.59 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	139.05 m³·mol⁻¹	ChemAxon
Polarizability	58.53 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	241.128	31661259
DarkChem	[M-H]-	233.305	31661259
DeepCCS	[M+H]+	233.565	30932474
DeepCCS	[M-H]-	231.67	30932474
DeepCCS	[M-2H]-	264.911	30932474
DeepCCS	[M+Na]+	239.187	30932474
AllCCS	[M+H]+	231.7	32859911
AllCCS	[M+H-H2O]+	230.6	32859911
AllCCS	[M+NH4]+	232.7	32859911
AllCCS	[M+Na]+	232.9	32859911
AllCCS	[M-H]-	228.4	32859911
AllCCS	[M+Na-2H]-	230.6	32859911
AllCCS	[M+HCOO]-	233.3	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. Predicted by Afia on May 17, 2022.	4.14 minutes	32390414
Predicted by Siyang on May 30, 2022	11.7504 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	7.5 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	310.1 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	1537.6 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	221.9 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	87.5 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	188.0 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	86.0 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	340.4 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	363.1 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	852.1 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	674.9 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	299.1 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	1261.4 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	249.1 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	268.1 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	578.3 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	486.0 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	446.3 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Luteolin 4'-glucoside 7-galacturonide	OCC1OC(OC2=C(O)C=C(C=C2)C2=CC(=O)C3=C(O)C=C(OC4OC(C(O)C(O)C4O)C(O)=O)C=C3O2)C(O)C(O)C1O	5972.4	Standard polar	33892256
Luteolin 4'-glucoside 7-galacturonide	OCC1OC(OC2=C(O)C=C(C=C2)C2=CC(=O)C3=C(O)C=C(OC4OC(C(O)C(O)C4O)C(O)=O)C=C3O2)C(O)C(O)C1O	5368.8	Standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide	OCC1OC(OC2=C(O)C=C(C=C2)C2=CC(=O)C3=C(O)C=C(OC4OC(C(O)C(O)C4O)C(O)=O)C=C3O2)C(O)C(O)C1O	6004.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Luteolin 4'-glucoside 7-galacturonide,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O)C(O)C1O	5770.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,1TMS,isomer #10	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O)C1O	5808.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,1TMS,isomer #2	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1O	5781.8	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,1TMS,isomer #3	C[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O)C(O)C2O)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C1)O2	5772.9	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,1TMS,isomer #4	C[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)C(O)C1O	5794.1	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,1TMS,isomer #5	C[Si](C)(C)OC1C(O)C(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)OC(C(=O)O)C1O	5809.8	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,1TMS,isomer #6	C[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)OC(C(=O)O)C(O)C1O	5811.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,1TMS,isomer #7	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)C(O)C(O)C1O	5708.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,1TMS,isomer #8	C[Si](C)(C)OC1C(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)OC(CO)C(O)C1O	5808.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,1TMS,isomer #9	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C1O	5802.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O)C(O)C1O	5580.7	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #10	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1O	5570.4	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #11	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	5580.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #12	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1O	5612.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #13	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1O	5628.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #14	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1O	5646.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #15	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5621.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #16	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5605.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #17	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5629.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #18	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)C(O)C(O)C1O	5560.7	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #19	C[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C1)O2	5588.7	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O[Si](C)(C)C)C(O)C(O)C5O)C=C4O3)C=C2O)C(O)C(O)C1O	5587.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #20	C[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C1)O2	5601.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #21	C[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C1)O2	5625.4	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #22	C[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O)C(O)C2O)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)=C1)O2	5599.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #23	C[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O)C(O)C2O)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)=C1)O2	5579.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #24	C[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O)C(O)C2O)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)=C1)O2	5607.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #25	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	5627.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #26	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)C=C2O)C(O)C1O	5654.7	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #27	C[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C(O)=C4)OC3=C2)C(O)C1O	5642.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #28	C[Si](C)(C)OC1C(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)C=C2O)OC(CO)C(O)C1O	5666.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #29	C[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)OC(C(=O)O)C(O[Si](C)(C)C)C1O	5674.8	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)C=C2O)C(O)C(O)C1O	5632.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #30	C[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)C(O)C1O[Si](C)(C)C	5674.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #31	C[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)OC(C(=O)O)C(O)C1O[Si](C)(C)C	5706.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #32	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2O)C(O)C1O	5671.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #33	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2O)C1O	5656.4	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #34	C[Si](C)(C)OC1C(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2O)OC(CO)C(O)C1O	5682.7	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #35	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	5619.4	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #36	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C1O	5684.8	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #37	C[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C(O)=C4)OC3=C2)OC(C(=O)O)C(O)C1O	5677.9	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #38	C[Si](C)(C)OC1C(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2O)OC(CO)C(O)C1O	5693.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #39	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	5642.4	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2O)C(O)C(O)C1O	5646.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #40	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C(O)=C4)OC3=C2)C(O)C(O)C1O	5607.8	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #41	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C(O)=C4)OC3=C2)C(O)C(O)C1O	5598.8	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #42	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O	5620.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #43	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C1O	5670.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #44	C[Si](C)(C)OC1C(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)OC(CO)C(O)C1O[Si](C)(C)C	5700.8	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #45	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O)C1O[Si](C)(C)C	5666.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C(O)C1O	5659.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O)C1O	5594.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O)C1O	5659.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C)C1O	5637.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O)C(O)C1O[Si](C)(C)C	5654.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(OC5OC(C(=O)O[Si](C)(C)C)C(O)C(O)C5O)C=C4O3)C=C2O)C(O)C(O)C1O	5409.9	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2O)C(O)C(O)C1O	5475.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #100	C[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5592.4	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #101	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C1O	5574.9	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #102	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)C=C2O)C1O	5555.4	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #103	C[Si](C)(C)OC1C(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)C=C2O)OC(CO)C(O)C1O	5586.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #104	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5544.7	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #105	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	5499.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #106	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C1O	5543.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #107	C[Si](C)(C)OC1C(O)C(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)=C4)OC3=C2)OC(C(=O)O)C1O	5524.7	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #108	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	5478.7	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #109	C[Si](C)(C)OC1C(O)C(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)=C4)OC3=C2)OC(C(=O)O)C1O	5555.7	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O[Si](C)(C)C)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C(O)C1O	5512.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #110	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	5513.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #111	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	5542.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #112	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2O)C(O[Si](C)(C)C)C1O	5570.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #113	C[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)=C4)OC3=C2)OC(C(=O)O)C(O)C1O	5551.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #114	C[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)=C4)OC3=C2)OC(C(=O)O)C(O)C1O	5584.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #115	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	5521.7	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #116	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	5554.7	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #117	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)=C4)OC3=C2)C(O)C(O)C1O	5481.9	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #118	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O	5503.4	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #119	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O	5515.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O[Si](C)(C)C)C(O)C(O)C5O)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O)C1O	5441.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #120	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5572.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O[Si](C)(C)C)C(O)C(O)C5O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O)C1O	5493.4	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O[Si](C)(C)C)C(O)C(O)C5O)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C)C1O	5455.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O[Si](C)(C)C)C(O)C(O)C5O)C=C4O3)C=C2O)C(O)C(O)C1O[Si](C)(C)C	5481.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2O)C(O)C(O)C1O	5519.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C(O)C1O	5531.4	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O)C1O	5473.4	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O)C1O	5535.4	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(OC5OC(C(=O)O)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)C=C2O)C(O)C(O)C1O	5438.1	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C)C1O	5499.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)C=C2O)C(O)C(O)C1O[Si](C)(C)C	5521.4	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C(O)C1O	5552.8	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O)C1O	5473.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O)C1O	5542.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C)C1O	5510.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2O)C(O)C(O)C1O[Si](C)(C)C	5530.1	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O)C1O	5511.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O)C1O	5567.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C)C1O	5539.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(OC5OC(C(=O)O)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2O)C(O)C(O)C1O	5446.7	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C(O)C1O[Si](C)(C)C	5558.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5508.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5468.8	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5493.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5547.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5573.8	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5522.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #37	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	5416.4	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #38	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1O	5430.1	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #39	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1O	5437.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(OC5OC(C(=O)O)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C(O)C1O	5482.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #40	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1O	5476.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #41	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5441.9	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #42	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5412.8	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #43	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5448.1	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #44	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	5471.4	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #45	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	5447.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #46	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	5488.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #47	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	5520.7	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #48	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	5474.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #49	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	5492.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O[Si](C)(C)C)C(O)C(O)C1O	5414.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #50	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1O	5511.1	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #51	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1O	5534.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #52	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5496.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #53	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5473.1	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #54	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5513.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #55	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1O	5548.1	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #56	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5499.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #57	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5474.1	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #58	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5509.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #59	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5535.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C(O)C1O	5480.4	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #60	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5510.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #61	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5549.8	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #62	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5490.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #63	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5515.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #64	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5524.7	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #65	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C(O)=C4)OC3=C2)C(O)C(O)C1O	5431.1	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #66	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C(O)=C4)OC3=C2)C(O)C(O)C1O	5405.1	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #67	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O	5442.4	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #68	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	5485.7	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #69	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	5436.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C)C1O	5448.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #70	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	5451.9	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #71	C[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C1)O2	5479.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #72	C[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C1)O2	5499.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #73	C[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)=C1)O2	5461.1	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #74	C[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)=C1)O2	5438.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #75	C[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)=C1)O2	5468.4	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #76	C[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C1)O2	5518.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #77	C[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)=C1)O2	5476.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #78	C[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)=C1)O2	5452.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #79	C[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)=C1)O2	5477.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O[Si](C)(C)C)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O)C(O)C1O[Si](C)(C)C	5469.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #80	C[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)=C1)O2	5505.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #81	C[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)=C1)O2	5484.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #82	C[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)=C1)O2	5511.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #83	C[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O)C(O)C2O)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)=C1)O2	5469.7	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #84	C[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O)C(O)C2O)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)=C1)O2	5486.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #85	C[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O)C(O)C2O)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)=C1)O2	5499.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #86	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	5513.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #87	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	5492.4	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #88	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	5531.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #89	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5558.8	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)C=C2O)C(O)C(O)C1O	5490.1	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #90	C[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5515.8	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #91	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2O)C(O)C1O	5537.1	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #92	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2O)C(O)C1O	5555.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #93	C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)C=C2O)C(O[Si](C)(C)C)C1O	5536.9	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #94	C[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C(O)=C4)OC3=C2)C(O)C1O	5514.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #95	C[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C1O	5546.8	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #96	C[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C(O)=C4)OC3=C2)OC(C(=O)O)C(O[Si](C)(C)C)C1O	5536.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #97	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2O)C1O	5518.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #98	C[Si](C)(C)OC1C(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2O)OC(CO)C(O)C1O	5549.7	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,3TMS,isomer #99	C[Si](C)(C)OC1C(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2O)OC(CO)C(O)C1O	5566.8	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O)C(O)C1O	5974.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O)C1O	6051.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1O	5969.7	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O)C(O)C2O)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C1)O2	5979.1	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)C(O)C1O	6030.9	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(O)C(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)OC(C(=O)O)C1O	6057.8	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)OC(C(=O)O)C(O)C1O	6051.8	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)C(O)C(O)C1O	5965.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)OC(CO)C(O)C1O	6046.1	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C1O	6043.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O)C(O)C1O	5970.1	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1O	5967.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	5963.8	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1O	5981.9	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1O	6009.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1O	6016.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5991.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5980.7	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5990.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)C(O)C(O)C1O	5981.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C1)O2	5984.4	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C5O)C=C4O3)C=C2O)C(O)C(O)C1O	5978.4	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C1)O2	6023.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C1)O2	6022.8	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O)C(O)C2O)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)=C1)O2	5999.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O)C(O)C2O)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)=C1)O2	5997.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(C(=O)O)C(O)C(O)C2O)=CC2=C1C(=O)C=C(C1=CC=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)=C1)O2	5993.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	6013.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C=C4O3)C=C2O)C(O)C1O	6027.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(O)=C4)OC3=C2)C(O)C1O	6018.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C=C4O3)C=C2O)OC(CO)C(O)C1O	6026.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O	6062.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C=C4O3)C=C2O)C(O)C(O)C1O	5993.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)C(O)C1O[Si](C)(C)C(C)(C)C	6053.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)OC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C	6092.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C=C4O3)C=C2O)C(O)C1O	6063.8	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C=C4O3)C=C2O)C1O	6058.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C=C4O3)C=C2O)OC(CO)C(O)C1O	6058.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	6041.9	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C=C4O3)C=C2O)C(O)C1O	6065.6	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(O)=C4)OC3=C2)OC(C(=O)O)C(O)C1O	6054.1	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C=C4O3)C=C2O)OC(CO)C(O)C1O	6062.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	6033.4	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C=C4O3)C=C2O)C(O)C(O)C1O	6025.1	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C(O)=C4)OC3=C2)C(O)C(O)C1O	6007.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C(O)=C4)OC3=C2)C(O)C(O)C1O	6005.2	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O	6003.8	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O[Si](C)(C)C(C)(C)C)C1O	6047.5	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	6068.0	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O)C1O[Si](C)(C)C(C)(C)C	6031.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C=C4O3)C=C2O)C(O)C(O)C1O	6026.7	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5957.1	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	6022.3	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	6023.7	Semi standard non polar	33892256
Luteolin 4'-glucoside 7-galacturonide,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3=CC(=O)C4=C(O)C=C(OC5OC(C(=O)O)C(O)C(O)C5O)C=C4O3)C=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	6004.7	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 4'-glucoside 7-galacturonide 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 - Luteolin 4'-glucoside 7-galacturonide 10V, Positive-QTOF	splash10-06r2-0120903000-f15dbc3d59a8bf896e2f	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 4'-glucoside 7-galacturonide 20V, Positive-QTOF	splash10-000i-0190700000-e50fee30d075ae6bde14	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 4'-glucoside 7-galacturonide 40V, Positive-QTOF	splash10-000i-1390200000-3d8d51fd8e63316f5a8d	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 4'-glucoside 7-galacturonide 10V, Negative-QTOF	splash10-024i-2502938000-5bd164f5f8f24548ae0c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 4'-glucoside 7-galacturonide 20V, Negative-QTOF	splash10-03dj-1321911000-9f00e36065db4e481454	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 4'-glucoside 7-galacturonide 40V, Negative-QTOF	splash10-017v-8375900000-0036338596ea25adb105	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 4'-glucoside 7-galacturonide 10V, Negative-QTOF	splash10-006t-0000906000-a8e62821fd2c11d387b6	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 4'-glucoside 7-galacturonide 20V, Negative-QTOF	splash10-0002-0000900000-38d864f2016b29a8736a	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 4'-glucoside 7-galacturonide 40V, Negative-QTOF	splash10-0002-0000900000-80ed60c94a2447ce68db	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 4'-glucoside 7-galacturonide 10V, Positive-QTOF	splash10-002b-0000904000-6a0e5ccaa07dabbf7ea4	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 4'-glucoside 7-galacturonide 20V, Positive-QTOF	splash10-0002-0000900000-6cdaf2bc31caca882f1d	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 4'-glucoside 7-galacturonide 40V, Positive-QTOF	splash10-0002-0000900000-6cdaf2bc31caca882f1d	2021-09-22	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

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB018234

KNApSAcK ID

C00004297

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14769209

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Luteolin 4'-glucoside 7-galacturonide (HMDB0038809)

MOL for HMDB0038809 (Luteolin 4'-glucoside 7-galacturonide)

3D MOL for HMDB0038809 (Luteolin 4'-glucoside 7-galacturonide)

3D SDF for HMDB0038809 (Luteolin 4'-glucoside 7-galacturonide)

3D-SDF for HMDB0038809 (Luteolin 4'-glucoside 7-galacturonide)

PDB for HMDB0038809 (Luteolin 4'-glucoside 7-galacturonide)

3D PDB for HMDB0038809 (Luteolin 4'-glucoside 7-galacturonide)

SMILES for HMDB0038809 (Luteolin 4'-glucoside 7-galacturonide)

INCHI for HMDB0038809 (Luteolin 4'-glucoside 7-galacturonide)

Structure for HMDB0038809 (Luteolin 4'-glucoside 7-galacturonide)

3D Structure for HMDB0038809 (Luteolin 4'-glucoside 7-galacturonide)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra