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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 21:11:15 UTC

Update Date

2022-03-07 02:54:47 UTC

HMDB ID

HMDB0036121

Secondary Accession Numbers

HMDB36121

Metabolite Identification

Common Name

Demethyloleuropein

Description

Demethyloleuropein belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Based on a literature review a small amount of articles have been published on Demethyloleuropein.

Structure

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

Demethyloleuropein
  Mrv1652309251700122D          

 37 39  0  0  0  0            999 V2000
    3.7105    7.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6884    8.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5983   10.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3127   10.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8305   10.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5449   10.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1160    9.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6884   10.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9751    7.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8317   10.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1160   10.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4028    9.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4028   10.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1173   10.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3127    9.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5983    8.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2606    7.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9739   10.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2606    6.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5461    6.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8317    6.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1173   11.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1173    8.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8317    7.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6896    7.5415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0272    8.7790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5983    7.9540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9899    9.2901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9751    6.3040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5461    5.4791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1173    6.3040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8317   11.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4028   11.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2594   10.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8317    9.1915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5461    7.9540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1173    7.9540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  2  0  0  0  0
  6  5  1  0  0  0  0
 11  3  1  0  0  0  0
 11  5  1  0  0  0  0
 11  7  2  0  0  0  0
 12  2  2  0  0  0  0
 13  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  2  0  0  0  0
 14 13  1  0  0  0  0
 15  4  1  0  0  0  0
 16  7  1  0  0  0  0
 16 15  2  0  0  0  0
 17  9  1  0  0  0  0
 18  8  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 14  1  0  0  0  0
 23 12  1  0  0  0  0
 24 21  1  0  0  0  0
 25  9  1  0  0  0  0
 26 15  1  0  0  0  0
 27 16  1  0  0  0  0
 28 18  2  0  0  0  0
 29 19  1  0  0  0  0
 30 20  1  0  0  0  0
 31 21  1  0  0  0  0
 32 22  2  0  0  0  0
 33 22  1  0  0  0  0
 34  6  1  0  0  0  0
 34 18  1  0  0  0  0
 35 10  1  0  0  0  0
 35 23  1  0  0  0  0
 36 17  1  0  0  0  0
 36 24  1  0  0  0  0
 37 23  1  0  0  0  0
 37 24  1  0  0  0  0
M  END

HMDB0036121
     RDKit          3D
Demethyloleuropein
 67 69  0  0  0  0  0  0  0  0999 V2000
   -3.4010    1.9774    1.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724    1.8277    2.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1995    0.8641    1.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5918   -0.2088    0.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8990   -0.3039    0.3251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0914   -0.3389   -1.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583   -1.5986   -1.4948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7467   -1.8240   -1.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6216   -2.2165   -0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9067   -2.4092   -1.1315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4100   -0.7728   -2.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0227   -1.2521   -3.7916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3907    0.3337   -2.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0026    1.3634   -3.6437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9238    0.7697   -1.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1128    0.9555   -0.8623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1321   -1.4500    1.2707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3049   -1.4974    2.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3638   -0.4381    2.8090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138   -0.5386    3.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3404   -1.6416    4.6102 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9455    0.5094    4.4919 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2354    0.8551    2.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2009    0.8607    0.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5664    0.8500    1.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9842    1.9400    1.9688 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3789   -0.2476    1.5710 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6529   -0.2995    2.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6754    0.5979    1.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9440    0.3706    0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2279    1.0353   -0.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4670    0.8424   -2.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4496   -0.0389   -2.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6609   -0.2063   -4.0346 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1742   -0.7111   -1.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1666   -1.6036   -2.0443 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9166   -0.5018   -0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9720    1.0403    1.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4987    2.4775    0.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8571    2.6650    2.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5140    2.5728    2.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9542   -0.1306   -0.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0522   -0.2138   -1.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7545   -2.7559   -2.4689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3006   -3.2197   -0.2415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5696   -1.5224    0.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6009   -1.9294   -0.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1825   -0.2860   -2.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0268   -1.2569   -3.6943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4970   -0.0766   -3.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2560    2.1254   -3.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3980    1.7305   -1.5967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3347    1.9017   -0.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1734   -2.4220    2.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6037    1.2528    5.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4663    1.7315    2.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0647   -0.0387    0.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281    1.7405    0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0295   -1.3544    1.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6751   -0.1631    3.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6437    0.3836    2.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4877    1.6789    1.7131 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4602    1.7230   -0.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8855    1.3811   -2.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3480   -0.8214   -4.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3850   -1.7829   -3.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4884   -1.0316    0.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  4 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 19 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  2  0
 23  3  1  0
 37 30  1  0
 15  6  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  2 41  1  0
  4 42  1  0
  6 43  1  0
  8 44  1  0
  9 45  1  0
  9 46  1  0
 10 47  1  0
 11 48  1  0
 12 49  1  0
 13 50  1  0
 14 51  1  0
 15 52  1  0
 16 53  1  0
 18 54  1  0
 22 55  1  0
 23 56  1  0
 24 57  1  0
 24 58  1  0
 28 59  1  0
 28 60  1  0
 29 61  1  0
 29 62  1  0
 31 63  1  0
 32 64  1  0
 34 65  1  0
 36 66  1  0
 37 67  1  0
M  END

Demethyloleuropein
  Mrv1652309251700122D          

 37 39  0  0  0  0            999 V2000
    3.7105    7.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6884    8.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5983   10.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3127   10.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8305   10.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5449   10.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1160    9.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6884   10.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9751    7.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8317   10.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1160   10.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4028    9.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4028   10.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1173   10.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3127    9.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5983    8.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2606    7.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9739   10.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2606    6.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5461    6.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8317    6.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1173   11.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1173    8.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8317    7.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6896    7.5415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0272    8.7790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5983    7.9540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9899    9.2901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9751    6.3040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5461    5.4791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1173    6.3040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8317   11.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4028   11.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2594   10.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8317    9.1915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5461    7.9540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1173    7.9540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  2  0  0  0  0
  6  5  1  0  0  0  0
 11  3  1  0  0  0  0
 11  5  1  0  0  0  0
 11  7  2  0  0  0  0
 12  2  2  0  0  0  0
 13  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  2  0  0  0  0
 14 13  1  0  0  0  0
 15  4  1  0  0  0  0
 16  7  1  0  0  0  0
 16 15  2  0  0  0  0
 17  9  1  0  0  0  0
 18  8  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 14  1  0  0  0  0
 23 12  1  0  0  0  0
 24 21  1  0  0  0  0
 25  9  1  0  0  0  0
 26 15  1  0  0  0  0
 27 16  1  0  0  0  0
 28 18  2  0  0  0  0
 29 19  1  0  0  0  0
 30 20  1  0  0  0  0
 31 21  1  0  0  0  0
 32 22  2  0  0  0  0
 33 22  1  0  0  0  0
 34  6  1  0  0  0  0
 34 18  1  0  0  0  0
 35 10  1  0  0  0  0
 35 23  1  0  0  0  0
 36 17  1  0  0  0  0
 36 24  1  0  0  0  0
 37 23  1  0  0  0  0
 37 24  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0036121

> <DATABASE_NAME>
hmdb

> <SMILES>
C\C=C1/C(OC2OC(CO)C(O)C(O)C2O)OC=C(C1CC(=O)OCCC1=CC(O)=C(O)C=C1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C24H30O13/c1-2-12-13(8-18(28)34-6-5-11-3-4-15(26)16(27)7-11)14(22(32)33)10-35-23(12)37-24-21(31)20(30)19(29)17(9-25)36-24/h2-4,7,10,13,17,19-21,23-27,29-31H,5-6,8-9H2,1H3,(H,32,33)/b12-2-

> <INCHI_KEY>
HKVGJQVJNQRJPO-OIXVIMQBSA-N

> <FORMULA>
C24H30O13

> <MOLECULAR_WEIGHT>
526.4872

> <EXACT_MASS>
526.168641046

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
50.902955767064874

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3Z)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid

> <ALOGPS_LOGP>
0.53

> <JCHEM_LOGP>
-0.2679516336666657

> <ALOGPS_LOGS>
-2.70

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.284210097243758

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.216056847529328

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810849052288235

> <JCHEM_POLAR_SURFACE_AREA>
212.66999999999993

> <JCHEM_REFRACTIVITY>
123.44909999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.06e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5Z)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethylidene-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0036121
     RDKit          3D
Demethyloleuropein
 67 69  0  0  0  0  0  0  0  0999 V2000
   -3.4010    1.9774    1.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724    1.8277    2.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1995    0.8641    1.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5918   -0.2088    0.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8990   -0.3039    0.3251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0914   -0.3389   -1.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583   -1.5986   -1.4948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7467   -1.8240   -1.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6216   -2.2165   -0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9067   -2.4092   -1.1315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4100   -0.7728   -2.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0227   -1.2521   -3.7916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3907    0.3337   -2.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0026    1.3634   -3.6437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9238    0.7697   -1.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1128    0.9555   -0.8623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1321   -1.4500    1.2707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3049   -1.4974    2.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3638   -0.4381    2.8090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138   -0.5386    3.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3404   -1.6416    4.6102 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9455    0.5094    4.4919 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2354    0.8551    2.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2009    0.8607    0.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5664    0.8500    1.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9842    1.9400    1.9688 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3789   -0.2476    1.5710 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6529   -0.2995    2.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6754    0.5979    1.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9440    0.3706    0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2279    1.0353   -0.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4670    0.8424   -2.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4496   -0.0389   -2.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6609   -0.2063   -4.0346 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1742   -0.7111   -1.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1666   -1.6036   -2.0443 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9166   -0.5018   -0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9720    1.0403    1.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4987    2.4775    0.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8571    2.6650    2.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5140    2.5728    2.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9542   -0.1306   -0.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0522   -0.2138   -1.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7545   -2.7559   -2.4689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3006   -3.2197   -0.2415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5696   -1.5224    0.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6009   -1.9294   -0.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1825   -0.2860   -2.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0268   -1.2569   -3.6943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4970   -0.0766   -3.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2560    2.1254   -3.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3980    1.7305   -1.5967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3347    1.9017   -0.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1734   -2.4220    2.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6037    1.2528    5.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4663    1.7315    2.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0647   -0.0387    0.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281    1.7405    0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0295   -1.3544    1.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6751   -0.1631    3.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6437    0.3836    2.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4877    1.6789    1.7131 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4602    1.7230   -0.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8855    1.3811   -2.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3480   -0.8214   -4.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3850   -1.7829   -3.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4884   -1.0316    0.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  4 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 19 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  2  0
 23  3  1  0
 37 30  1  0
 15  6  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  2 41  1  0
  4 42  1  0
  6 43  1  0
  8 44  1  0
  9 45  1  0
  9 46  1  0
 10 47  1  0
 11 48  1  0
 12 49  1  0
 13 50  1  0
 14 51  1  0
 15 52  1  0
 16 53  1  0
 18 54  1  0
 22 55  1  0
 23 56  1  0
 24 57  1  0
 24 58  1  0
 28 59  1  0
 28 60  1  0
 29 61  1  0
 29 62  1  0
 31 63  1  0
 32 64  1  0
 34 65  1  0
 36 66  1  0
 37 67  1  0
M  END

HEADER    PROTEIN                                 25-SEP-17   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Demethyloleuropein                                
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-SEP-17         0                                  
HETATM    1  C   UNK     0       6.926  14.792   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.885  16.387   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.117  19.467   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.450  18.697   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.550  19.467   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.884  18.697   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.217  17.157   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.885  19.467   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.887  14.847   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.886  18.697   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.217  18.697   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.219  17.157   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.219  18.697   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.552  19.467   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.450  17.157   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.117  16.387   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      13.553  14.077   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.551  18.697   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      13.553  12.537   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      12.219  11.767   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.886  12.537   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.552  21.007   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.552  16.387   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.886  14.077   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      16.221  14.077   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -3.784  16.387   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -1.117  14.847   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       5.581  17.342   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      14.887  11.767   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      12.219  10.228   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       9.552  11.767   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      10.886  21.777   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       8.219  21.777   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       4.218  19.467   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      10.886  17.157   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      12.219  14.847   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       9.552  14.847   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1   12                                                       
CONECT    3    4   11                                                       
CONECT    4    3   15                                                       
CONECT    5    6   11                                                       
CONECT    6    5   34                                                       
CONECT    7   11   16                                                       
CONECT    8   13   18                                                       
CONECT    9   17   25                                                       
CONECT   10   14   35                                                       
CONECT   11    3    5    7                                                  
CONECT   12    2   13   23                                                  
CONECT   13    8   12   14                                                  
CONECT   14   10   13   22                                                  
CONECT   15    4   16   26                                                  
CONECT   16    7   15   27                                                  
CONECT   17    9   19   36                                                  
CONECT   18    8   28   34                                                  
CONECT   19   17   20   29                                                  
CONECT   20   19   21   30                                                  
CONECT   21   20   24   31                                                  
CONECT   22   14   32   33                                                  
CONECT   23   12   35   37                                                  
CONECT   24   21   36   37                                                  
CONECT   25    9                                                            
CONECT   26   15                                                            
CONECT   27   16                                                            
CONECT   28   18                                                            
CONECT   29   19                                                            
CONECT   30   20                                                            
CONECT   31   21                                                            
CONECT   32   22                                                            
CONECT   33   22                                                            
CONECT   34    6   18                                                       
CONECT   35   10   23                                                       
CONECT   36   17   24                                                       
CONECT   37   23   24                                                       
MASTER        0    0    0    0    0    0    0    0   37    0   78    0
END

COMPND    HMDB0036121
HETATM    1  C1  UNL     1      -3.401   1.977   1.682  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.972   1.828   2.047  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.200   0.864   1.610  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.592  -0.209   0.709  1.00  0.00           C  
HETATM    5  O1  UNL     1      -2.899  -0.304   0.325  1.00  0.00           O  
HETATM    6  C5  UNL     1      -3.091  -0.339  -1.058  1.00  0.00           C  
HETATM    7  O2  UNL     1      -3.458  -1.599  -1.495  1.00  0.00           O  
HETATM    8  C6  UNL     1      -4.747  -1.824  -1.819  1.00  0.00           C  
HETATM    9  C7  UNL     1      -5.622  -2.217  -0.627  1.00  0.00           C  
HETATM   10  O3  UNL     1      -6.907  -2.409  -1.131  1.00  0.00           O  
HETATM   11  C8  UNL     1      -5.410  -0.773  -2.661  1.00  0.00           C  
HETATM   12  O4  UNL     1      -6.023  -1.252  -3.792  1.00  0.00           O  
HETATM   13  C9  UNL     1      -4.391   0.334  -2.975  1.00  0.00           C  
HETATM   14  O5  UNL     1      -5.003   1.363  -3.644  1.00  0.00           O  
HETATM   15  C10 UNL     1      -3.924   0.770  -1.569  1.00  0.00           C  
HETATM   16  O6  UNL     1      -5.113   0.955  -0.862  1.00  0.00           O  
HETATM   17  O7  UNL     1      -1.132  -1.450   1.271  1.00  0.00           O  
HETATM   18  C11 UNL     1      -0.305  -1.497   2.381  1.00  0.00           C  
HETATM   19  C12 UNL     1       0.364  -0.438   2.809  1.00  0.00           C  
HETATM   20  C13 UNL     1       1.214  -0.539   3.973  1.00  0.00           C  
HETATM   21  O8  UNL     1       1.340  -1.642   4.610  1.00  0.00           O  
HETATM   22  O9  UNL     1       1.945   0.509   4.492  1.00  0.00           O  
HETATM   23  C14 UNL     1       0.235   0.855   2.089  1.00  0.00           C  
HETATM   24  C15 UNL     1       1.201   0.861   0.906  1.00  0.00           C  
HETATM   25  C16 UNL     1       2.566   0.850   1.501  1.00  0.00           C  
HETATM   26  O10 UNL     1       2.984   1.940   1.969  1.00  0.00           O  
HETATM   27  O11 UNL     1       3.379  -0.248   1.571  1.00  0.00           O  
HETATM   28  C17 UNL     1       4.653  -0.300   2.121  1.00  0.00           C  
HETATM   29  C18 UNL     1       5.675   0.598   1.521  1.00  0.00           C  
HETATM   30  C19 UNL     1       5.944   0.371   0.086  1.00  0.00           C  
HETATM   31  C20 UNL     1       5.228   1.035  -0.878  1.00  0.00           C  
HETATM   32  C21 UNL     1       5.467   0.842  -2.218  1.00  0.00           C  
HETATM   33  C22 UNL     1       6.450  -0.039  -2.669  1.00  0.00           C  
HETATM   34  O12 UNL     1       6.661  -0.206  -4.035  1.00  0.00           O  
HETATM   35  C23 UNL     1       7.174  -0.711  -1.714  1.00  0.00           C  
HETATM   36  O13 UNL     1       8.167  -1.604  -2.044  1.00  0.00           O  
HETATM   37  C24 UNL     1       6.917  -0.502  -0.361  1.00  0.00           C  
HETATM   38  H1  UNL     1      -3.972   1.040   1.799  1.00  0.00           H  
HETATM   39  H2  UNL     1      -3.499   2.478   0.709  1.00  0.00           H  
HETATM   40  H3  UNL     1      -3.857   2.665   2.456  1.00  0.00           H  
HETATM   41  H4  UNL     1      -1.514   2.573   2.732  1.00  0.00           H  
HETATM   42  H5  UNL     1      -0.954  -0.131  -0.231  1.00  0.00           H  
HETATM   43  H6  UNL     1      -2.052  -0.214  -1.491  1.00  0.00           H  
HETATM   44  H7  UNL     1      -4.754  -2.756  -2.469  1.00  0.00           H  
HETATM   45  H8  UNL     1      -5.301  -3.220  -0.241  1.00  0.00           H  
HETATM   46  H9  UNL     1      -5.570  -1.522   0.206  1.00  0.00           H  
HETATM   47  H10 UNL     1      -7.601  -1.929  -0.605  1.00  0.00           H  
HETATM   48  H11 UNL     1      -6.183  -0.286  -2.019  1.00  0.00           H  
HETATM   49  H12 UNL     1      -7.027  -1.257  -3.694  1.00  0.00           H  
HETATM   50  H13 UNL     1      -3.497  -0.077  -3.468  1.00  0.00           H  
HETATM   51  H14 UNL     1      -5.256   2.125  -3.057  1.00  0.00           H  
HETATM   52  H15 UNL     1      -3.398   1.731  -1.597  1.00  0.00           H  
HETATM   53  H16 UNL     1      -5.335   1.902  -0.846  1.00  0.00           H  
HETATM   54  H17 UNL     1      -0.173  -2.422   2.950  1.00  0.00           H  
HETATM   55  H18 UNL     1       1.604   1.253   5.060  1.00  0.00           H  
HETATM   56  H19 UNL     1       0.466   1.731   2.688  1.00  0.00           H  
HETATM   57  H20 UNL     1       1.065  -0.039   0.271  1.00  0.00           H  
HETATM   58  H21 UNL     1       1.028   1.740   0.270  1.00  0.00           H  
HETATM   59  H22 UNL     1       5.030  -1.354   1.969  1.00  0.00           H  
HETATM   60  H23 UNL     1       4.675  -0.163   3.222  1.00  0.00           H  
HETATM   61  H24 UNL     1       6.644   0.384   2.057  1.00  0.00           H  
HETATM   62  H25 UNL     1       5.488   1.679   1.713  1.00  0.00           H  
HETATM   63  H26 UNL     1       4.460   1.723  -0.542  1.00  0.00           H  
HETATM   64  H27 UNL     1       4.886   1.381  -2.929  1.00  0.00           H  
HETATM   65  H28 UNL     1       7.348  -0.821  -4.424  1.00  0.00           H  
HETATM   66  H29 UNL     1       8.385  -1.783  -3.002  1.00  0.00           H  
HETATM   67  H30 UNL     1       7.488  -1.032   0.391  1.00  0.00           H  
CONECT    1    2   38   39   40
CONECT    2    3    3   41
CONECT    3    4   23
CONECT    4    5   17   42
CONECT    5    6
CONECT    6    7   15   43
CONECT    7    8
CONECT    8    9   11   44
CONECT    9   10   45   46
CONECT   10   47
CONECT   11   12   13   48
CONECT   12   49
CONECT   13   14   15   50
CONECT   14   51
CONECT   15   16   52
CONECT   16   53
CONECT   17   18
CONECT   18   19   19   54
CONECT   19   20   23
CONECT   20   21   21   22
CONECT   22   55
CONECT   23   24   56
CONECT   24   25   57   58
CONECT   25   26   26   27
CONECT   27   28
CONECT   28   29   59   60
CONECT   29   30   61   62
CONECT   30   31   31   37
CONECT   31   32   63
CONECT   32   33   33   64
CONECT   33   34   35
CONECT   34   65
CONECT   35   36   37   37
CONECT   36   66
CONECT   37   67
END

HMDB0036121
     RDKit          3D
Demethyloleuropein
 67 69  0  0  0  0  0  0  0  0999 V2000
   -3.4010    1.9774    1.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724    1.8277    2.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1995    0.8641    1.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5918   -0.2088    0.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8990   -0.3039    0.3251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0914   -0.3389   -1.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583   -1.5986   -1.4948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7467   -1.8240   -1.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6216   -2.2165   -0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9067   -2.4092   -1.1315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4100   -0.7728   -2.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0227   -1.2521   -3.7916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3907    0.3337   -2.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0026    1.3634   -3.6437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9238    0.7697   -1.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1128    0.9555   -0.8623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1321   -1.4500    1.2707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3049   -1.4974    2.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3638   -0.4381    2.8090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138   -0.5386    3.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3404   -1.6416    4.6102 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9455    0.5094    4.4919 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2354    0.8551    2.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2009    0.8607    0.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5664    0.8500    1.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9842    1.9400    1.9688 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3789   -0.2476    1.5710 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6529   -0.2995    2.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6754    0.5979    1.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9440    0.3706    0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2279    1.0353   -0.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4670    0.8424   -2.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4496   -0.0389   -2.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6609   -0.2063   -4.0346 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1742   -0.7111   -1.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1666   -1.6036   -2.0443 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9166   -0.5018   -0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9720    1.0403    1.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4987    2.4775    0.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8571    2.6650    2.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5140    2.5728    2.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9542   -0.1306   -0.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0522   -0.2138   -1.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7545   -2.7559   -2.4689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3006   -3.2197   -0.2415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5696   -1.5224    0.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6009   -1.9294   -0.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1825   -0.2860   -2.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0268   -1.2569   -3.6943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4970   -0.0766   -3.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2560    2.1254   -3.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3980    1.7305   -1.5967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3347    1.9017   -0.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1734   -2.4220    2.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6037    1.2528    5.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4663    1.7315    2.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0647   -0.0387    0.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281    1.7405    0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0295   -1.3544    1.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6751   -0.1631    3.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6437    0.3836    2.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4877    1.6789    1.7131 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4602    1.7230   -0.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8855    1.3811   -2.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3480   -0.8214   -4.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3850   -1.7829   -3.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4884   -1.0316    0.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  4 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 19 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  2  0
 23  3  1  0
 37 30  1  0
 15  6  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  2 41  1  0
  4 42  1  0
  6 43  1  0
  8 44  1  0
  9 45  1  0
  9 46  1  0
 10 47  1  0
 11 48  1  0
 12 49  1  0
 13 50  1  0
 14 51  1  0
 15 52  1  0
 16 53  1  0
 18 54  1  0
 22 55  1  0
 23 56  1  0
 24 57  1  0
 24 58  1  0
 28 59  1  0
 28 60  1  0
 29 61  1  0
 29 62  1  0
 31 63  1  0
 32 64  1  0
 34 65  1  0
 36 66  1  0
 37 67  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate	HMDB
Demethyloleuropein	MeSH

Chemical Formula

C₂₄H₃₀O₁₃

Average Molecular Weight

526.4872

Monoisotopic Molecular Weight

526.168641046

IUPAC Name

(3Z)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid

Traditional Name

(5Z)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethylidene-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylic acid

CAS Registry Number

52077-55-1

SMILES

C\C=C1/C(OC2OC(CO)C(O)C(O)C2O)OC=C(C1CC(=O)OCCC1=CC(O)=C(O)C=C1)C(O)=O

InChI Identifier

InChI=1S/C24H30O13/c1-2-12-13(8-18(28)34-6-5-11-3-4-15(26)16(27)7-11)14(22(32)33)10-35-23(12)37-24-21(31)20(30)19(29)17(9-25)36-24/h2-4,7,10,13,17,19-21,23-27,29-31H,5-6,8-9H2,1H3,(H,32,33)/b12-2-

InChI Key

HKVGJQVJNQRJPO-OIXVIMQBSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Terpene glycosides

Alternative Parents

Substituents

Terpene glycoside
O-glycosyl compound
Secoiridoid-skeleton
Glycosyl compound
Monoterpenoid
Aromatic monoterpenoid
Monocyclic monoterpenoid
Tyrosol derivative
Catechol
Sugar acid
Phenol
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Dicarboxylic acid or derivatives
Monosaccharide
Oxane
Monocyclic benzene moiety
Benzenoid
Vinylogous ester
Secondary alcohol
Carboxylic acid ester
Acetal
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Organic oxide
Primary alcohol
Carbonyl group
Organooxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0036121)
Cytoplasm (HMDB: HMDB0036121)

Olive (FooDB: FOOD00121)

Fruit

Fruits (FooDB: FOOD00871)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	145 - 147 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	9318 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.06 g/L	ALOGPS
logP	0.53	ALOGPS
logP	-0.27	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	4.22	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	212.67 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	123.45 m³·mol⁻¹	ChemAxon
Polarizability	50.9 Å³	ChemAxon
Number of Rings	3	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]+	220.655	31661259
DarkChem	[M-H]-	214.296	31661259
DeepCCS	[M+H]+	213.266	30932474
DeepCCS	[M-H]-	210.87	30932474
DeepCCS	[M-2H]-	243.754	30932474
DeepCCS	[M+Na]+	219.187	30932474
AllCCS	[M+H]+	218.3	32859911
AllCCS	[M+H-H2O]+	216.7	32859911
AllCCS	[M+NH4]+	219.7	32859911
AllCCS	[M+Na]+	220.1	32859911
AllCCS	[M-H]-	209.1	32859911
AllCCS	[M+Na-2H]-	210.6	32859911
AllCCS	[M+HCOO]-	212.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Demethyloleuropein	C\C=C1/C(OC2OC(CO)C(O)C(O)C2O)OC=C(C1CC(=O)OCCC1=CC(O)=C(O)C=C1)C(O)=O	5241.2	Standard polar	33892256
Demethyloleuropein	C\C=C1/C(OC2OC(CO)C(O)C(O)C2O)OC=C(C1CC(=O)OCCC1=CC(O)=C(O)C=C1)C(O)=O	3928.9	Standard non polar	33892256
Demethyloleuropein	C\C=C1/C(OC2OC(CO)C(O)C(O)C2O)OC=C(C1CC(=O)OCCC1=CC(O)=C(O)C=C1)C(O)=O	4406.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Demethyloleuropein,1TMS,isomer #1	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4329.4	Semi standard non polar	33892256
Demethyloleuropein,1TMS,isomer #1	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4329.4	Semi standard non polar	33892256
Demethyloleuropein,1TMS,isomer #2	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4325.3	Semi standard non polar	33892256
Demethyloleuropein,1TMS,isomer #2	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4325.3	Semi standard non polar	33892256
Demethyloleuropein,1TMS,isomer #3	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4324.5	Semi standard non polar	33892256
Demethyloleuropein,1TMS,isomer #3	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4324.5	Semi standard non polar	33892256
Demethyloleuropein,1TMS,isomer #4	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4335.2	Semi standard non polar	33892256
Demethyloleuropein,1TMS,isomer #4	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4335.2	Semi standard non polar	33892256
Demethyloleuropein,1TMS,isomer #5	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4290.0	Semi standard non polar	33892256
Demethyloleuropein,1TMS,isomer #5	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4290.0	Semi standard non polar	33892256
Demethyloleuropein,1TMS,isomer #6	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4298.7	Semi standard non polar	33892256
Demethyloleuropein,1TMS,isomer #6	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4298.7	Semi standard non polar	33892256
Demethyloleuropein,1TMS,isomer #7	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4269.7	Semi standard non polar	33892256
Demethyloleuropein,1TMS,isomer #7	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4269.7	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #1	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4283.6	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #1	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4283.6	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #10	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4225.6	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #10	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4225.6	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #11	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4220.2	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #11	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4220.2	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #12	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4296.0	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #12	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4296.0	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #13	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4163.7	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #13	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4163.7	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #14	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4208.8	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #14	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4208.8	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #15	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4204.9	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #15	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4204.9	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #16	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4202.1	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #16	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4202.1	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #17	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4234.8	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #17	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4234.8	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #18	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4227.9	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #18	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4227.9	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #19	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4129.2	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #19	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4129.2	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #2	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4278.9	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #2	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4278.9	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #20	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4241.8	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #20	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4241.8	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #21	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4143.4	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #21	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4143.4	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #3	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4289.1	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #3	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4289.1	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #4	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4175.8	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #4	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4175.8	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #5	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4215.6	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #5	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4215.6	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #6	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4210.2	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #6	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4210.2	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #7	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4290.6	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #7	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4290.6	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #8	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4287.3	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #8	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4287.3	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #9	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4195.3	Semi standard non polar	33892256
Demethyloleuropein,2TMS,isomer #9	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4195.3	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #1	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4239.2	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #1	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4239.2	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #10	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4131.6	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #10	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4131.6	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #11	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4157.4	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #11	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4157.4	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #12	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4151.7	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #12	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4151.7	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #13	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4039.2	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #13	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4039.2	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #14	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4038.2	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #14	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4038.2	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #15	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4166.4	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #15	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4166.4	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #16	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4238.2	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #16	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4238.2	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #17	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4128.0	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #17	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4128.0	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #18	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4165.1	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #18	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4165.1	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #19	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4152.3	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #19	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4152.3	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #2	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4245.2	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #2	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4245.2	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #20	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4145.6	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #20	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4145.6	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #21	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4164.2	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #21	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4164.2	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #22	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4158.7	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #22	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4158.7	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #23	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4068.4	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #23	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4068.4	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #24	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4061.8	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #24	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4061.8	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #25	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4199.9	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #25	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4199.9	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #26	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4113.7	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #26	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4113.7	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #27	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4156.5	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #27	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4156.5	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #28	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4142.6	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #28	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4142.6	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #29	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4033.3	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #29	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4033.3	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #3	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4126.4	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #3	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4126.4	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #30	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4029.5	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #30	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4029.5	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #31	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4168.8	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #31	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4168.8	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #32	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4056.9	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #32	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4056.9	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #33	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4050.5	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #33	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4050.5	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #34	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4192.5	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #34	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4192.5	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #35	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4086.6	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #35	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4086.6	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #4	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4158.9	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #4	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4158.9	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #5	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4151.6	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #5	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4151.6	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #6	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4221.6	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #6	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4221.6	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #7	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4098.5	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #7	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4098.5	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #8	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4127.4	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #8	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4127.4	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #9	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4122.5	Semi standard non polar	33892256
Demethyloleuropein,3TMS,isomer #9	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4122.5	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #1	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4197.9	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #1	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4197.9	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #10	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4135.1	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #10	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4135.1	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #11	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4044.0	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #11	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4044.0	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #12	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4069.7	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #12	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4069.7	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #13	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4069.5	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #13	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4069.5	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #14	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	3976.4	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #14	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	3976.4	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #15	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	3972.5	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #15	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	3972.5	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #16	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4107.9	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #16	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4107.9	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #17	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	3986.8	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #17	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	3986.8	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #18	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	3984.9	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #18	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	3984.9	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #19	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4135.1	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #19	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4135.1	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #2	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4069.2	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #2	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4069.2	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #20	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4024.7	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #20	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4024.7	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #21	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4065.6	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #21	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4065.6	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #22	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4095.1	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #22	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4095.1	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #23	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4090.0	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #23	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4090.0	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #24	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	3996.5	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #24	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	3996.5	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #25	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	3986.1	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #25	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	3986.1	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #26	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4135.9	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #26	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4135.9	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #27	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4005.9	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #27	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4005.9	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #28	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	3999.5	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #28	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	3999.5	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #29	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4152.3	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #29	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4152.3	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #3	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4089.6	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #3	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4089.6	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #30	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4040.9	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #30	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4040.9	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #31	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	3973.4	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #31	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	3973.4	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #32	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	3965.9	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #32	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	3965.9	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #33	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4123.0	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #33	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4123.0	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #34	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4011.9	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #34	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4011.9	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #35	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4034.7	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #35	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4034.7	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #4	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4090.1	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #4	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4090.1	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #5	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4079.6	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #5	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4079.6	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #6	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4096.6	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #6	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4096.6	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #7	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4097.7	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #7	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4097.7	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #8	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	3991.0	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #8	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	3991.0	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #9	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	3990.5	Semi standard non polar	33892256
Demethyloleuropein,4TMS,isomer #9	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	3990.5	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #1	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	3990.9	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #1	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	3990.9	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #10	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3986.1	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #10	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3986.1	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #11	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	3919.3	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #11	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	3919.3	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #12	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	3911.0	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #12	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	3911.0	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #13	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4066.3	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #13	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4066.3	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #14	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3973.1	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #14	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3973.1	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #15	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3980.4	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #15	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3980.4	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #16	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	3907.1	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #16	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	3907.1	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #17	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	3897.4	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #17	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	3897.4	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #18	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4064.3	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #18	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4064.3	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #19	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3968.8	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #19	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3968.8	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #2	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4017.3	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #2	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	4017.3	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #20	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3987.5	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #20	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3987.5	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #21	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3954.9	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #21	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3954.9	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #3	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4009.6	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #3	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	4009.6	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #4	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	3950.1	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #4	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	3950.1	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #5	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	3941.0	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #5	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	3941.0	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #6	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4087.1	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #6	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4087.1	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #7	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	3944.5	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #7	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C1	3944.5	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #8	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	3933.1	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #8	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O[Si](C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C1	3933.1	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #9	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4089.3	Semi standard non polar	33892256
Demethyloleuropein,5TMS,isomer #9	C/C=C1\C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4089.3	Semi standard non polar	33892256
Demethyloleuropein,1TBDMS,isomer #1	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4524.2	Semi standard non polar	33892256
Demethyloleuropein,1TBDMS,isomer #1	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4524.2	Semi standard non polar	33892256
Demethyloleuropein,1TBDMS,isomer #2	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4562.5	Semi standard non polar	33892256
Demethyloleuropein,1TBDMS,isomer #2	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4562.5	Semi standard non polar	33892256
Demethyloleuropein,1TBDMS,isomer #3	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4555.0	Semi standard non polar	33892256
Demethyloleuropein,1TBDMS,isomer #3	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4555.0	Semi standard non polar	33892256
Demethyloleuropein,1TBDMS,isomer #4	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4570.2	Semi standard non polar	33892256
Demethyloleuropein,1TBDMS,isomer #4	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4570.2	Semi standard non polar	33892256
Demethyloleuropein,1TBDMS,isomer #5	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4523.8	Semi standard non polar	33892256
Demethyloleuropein,1TBDMS,isomer #5	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4523.8	Semi standard non polar	33892256
Demethyloleuropein,1TBDMS,isomer #6	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4530.6	Semi standard non polar	33892256
Demethyloleuropein,1TBDMS,isomer #6	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4530.6	Semi standard non polar	33892256
Demethyloleuropein,1TBDMS,isomer #7	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4508.1	Semi standard non polar	33892256
Demethyloleuropein,1TBDMS,isomer #7	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4508.1	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #1	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4660.9	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #1	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4660.9	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #10	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4651.4	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #10	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4651.4	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #11	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4643.9	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #11	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4643.9	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #12	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4693.0	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #12	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4693.0	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #13	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4604.3	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #13	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4604.3	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #14	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4639.4	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #14	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4639.4	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #15	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4631.2	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #15	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4631.2	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #16	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4628.2	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #16	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4628.2	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #17	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4653.9	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #17	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4653.9	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #18	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4645.2	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #18	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4645.2	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #19	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4585.2	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #19	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4585.2	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #2	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4659.4	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #2	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4659.4	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #20	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4673.3	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #20	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4673.3	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #21	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4599.8	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #21	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4599.8	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #3	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4673.3	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #3	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4673.3	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #4	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4593.1	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #4	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4593.1	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #5	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4628.7	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #5	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4628.7	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #6	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4618.4	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #6	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4618.4	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #7	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4683.7	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #7	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4683.7	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #8	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4693.0	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #8	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4693.0	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #9	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4625.0	Semi standard non polar	33892256
Demethyloleuropein,2TBDMS,isomer #9	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4625.0	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #1	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4791.5	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #1	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4791.5	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #10	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4691.7	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #10	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4691.7	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #11	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4759.2	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #11	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4759.2	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #12	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4744.9	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #12	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4744.9	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #13	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4682.3	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #13	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4682.3	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #14	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4659.2	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #14	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4659.2	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #15	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4748.1	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #15	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4748.1	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #16	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4809.0	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #16	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4809.0	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #17	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4697.1	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #17	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4697.1	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #18	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4782.7	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #18	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4782.7	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #19	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4769.0	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #19	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4769.0	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #2	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4800.6	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #2	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4800.6	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #20	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4700.2	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #20	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4700.2	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #21	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4775.3	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #21	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4775.3	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #22	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4764.5	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #22	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4764.5	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #23	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4708.4	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #23	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4708.4	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #24	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4688.0	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #24	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4688.0	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #25	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4782.8	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #25	C/C=C1\C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4782.8	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #26	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4696.2	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #26	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4696.2	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #27	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4774.3	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #27	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4774.3	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #28	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4760.6	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #28	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4760.6	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #29	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4704.9	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #29	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4704.9	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #3	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4679.5	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #3	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4679.5	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #30	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4687.3	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #30	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4687.3	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #31	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4767.0	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #31	C/C=C1\C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4767.0	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #32	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4703.2	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #32	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4703.2	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #33	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4682.9	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #33	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4682.9	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #34	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4778.5	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #34	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4778.5	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #35	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4710.2	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #35	C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4710.2	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #4	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4754.7	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #4	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4754.7	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #5	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4741.6	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #5	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4741.6	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #6	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4787.4	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #6	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4787.4	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #7	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4664.6	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #7	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)OCCC1=CC=C(O)C(O)=C1	4664.6	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #8	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4764.4	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #8	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1	4764.4	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #9	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4749.9	Semi standard non polar	33892256
Demethyloleuropein,3TBDMS,isomer #9	C/C=C1\C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)O)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1	4749.9	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 - Demethyloleuropein GC-MS (Non-derivatized) - 70eV, Positive	splash10-0ab9-6915520000-ef13bacc01c1c99ec6b0	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Demethyloleuropein GC-MS (2 TMS) - 70eV, Positive	splash10-0abj-4932347000-e634412f037ae938d94f	2017-10-06	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 - Demethyloleuropein 10V, Positive-QTOF	splash10-07xs-0749150000-cfa4191366e92b2029d3	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Demethyloleuropein 20V, Positive-QTOF	splash10-029j-0916000000-35fb3716330b63579cc1	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Demethyloleuropein 40V, Positive-QTOF	splash10-0019-5921000000-7797d26b53c647944e30	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Demethyloleuropein 10V, Negative-QTOF	splash10-03fr-0419240000-6ecbd1f9d6f1306267b1	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Demethyloleuropein 20V, Negative-QTOF	splash10-08mi-1519210000-0dbd9718a68813e825a0	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Demethyloleuropein 40V, Negative-QTOF	splash10-01ox-7968000000-fe227c88df131e39bfce	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Demethyloleuropein 10V, Negative-QTOF	splash10-014i-1149000000-3ceba264039055cc33e5	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Demethyloleuropein 20V, Negative-QTOF	splash10-0zfr-4918200000-b648fd34ef380c834c64	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Demethyloleuropein 40V, Negative-QTOF	splash10-0600-7927100000-e9495b50b17831be7e9e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Demethyloleuropein 10V, Positive-QTOF	splash10-004j-0509020000-580eda502dcfc3be02ca	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Demethyloleuropein 20V, Positive-QTOF	splash10-000b-0906000000-92566e4c9cf005cd05fe	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Demethyloleuropein 40V, Positive-QTOF	splash10-00ri-5901000000-7614cd3f7f9c2de5cf06	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB014969

KNApSAcK ID

C00055262

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

89887620

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1853681

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for Demethyloleuropein (HMDB0036121)

MOL for HMDB0036121 (Demethyloleuropein)

3D MOL for HMDB0036121 (Demethyloleuropein)

3D SDF for HMDB0036121 (Demethyloleuropein)

3D-SDF for HMDB0036121 (Demethyloleuropein)

PDB for HMDB0036121 (Demethyloleuropein)

3D PDB for HMDB0036121 (Demethyloleuropein)

SMILES for HMDB0036121 (Demethyloleuropein)

INCHI for HMDB0036121 (Demethyloleuropein)

Structure for HMDB0036121 (Demethyloleuropein)

3D Structure for HMDB0036121 (Demethyloleuropein)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra