Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:38:48 UTC

Update Date

2022-03-07 02:52:41 UTC

HMDB ID

HMDB0030748

Secondary Accession Numbers

HMDB30748

Metabolite Identification

Common Name

Hesperetin 7-neohesperidoside

Description

Hesperetin 7-neohesperidoside belongs to the class of organic compounds known as cyclobutane lignans. These are lignans with a structure characterized by to phenylpropanoid units coupled together through the C7-C7' and C8-C8' bonds, forming a cyclobutane ring with the C7, C7', C8', and C8 atoms. Hesperetin 7-neohesperidoside is found, on average, in the highest concentration within a few different foods, such as grapefruits (Citrus X paradisi), grapefruit/pummelo hybrids (Citrus paradisi X Citrus maxima), and lemons (Citrus limon) and in a lower concentration in sweet oranges (Citrus sinensis). Hesperetin 7-neohesperidoside has also been detected, but not quantified in, several different foods, such as citrus, limes (Citrus aurantiifolia), mandarin orange (clementine, tangerine), and pummelos (Citrus maxima). This could make hesperetin 7-neohesperidoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Hesperetin 7-neohesperidoside.

Structure

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

  Mrv1652305052017392D          

 43 47  0  0  0  0            999 V2000
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15  8  1  0  0  0  0
 16  4  1  0  0  0  0
 16 13  2  0  0  0  0
 17  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18  7  2  0  0  0  0
 19  9  1  0  0  0  0
 20 14  2  0  0  0  0
 20 15  1  0  0  0  0
 20 18  1  0  0  0  0
 21 10  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
 28 26  1  0  0  0  0
 29  9  1  0  0  0  0
 30 13  1  0  0  0  0
 31 14  1  0  0  0  0
 32 15  2  0  0  0  0
 33 21  1  0  0  0  0
 34 22  1  0  0  0  0
 35 23  1  0  0  0  0
 36 24  1  0  0  0  0
 37 25  1  0  0  0  0
 38  2  1  0  0  0  0
 38 16  1  0  0  0  0
 39 10  1  0  0  0  0
 39 27  1  0  0  0  0
 40 12  1  0  0  0  0
 40 28  1  0  0  0  0
 41 17  1  0  0  0  0
 41 18  1  0  0  0  0
 42 19  1  0  0  0  0
 42 28  1  0  0  0  0
 43 26  1  0  0  0  0
 43 27  1  0  0  0  0
M  END

HMDB0030748
     RDKit          3D
Hesperetin 7-neohesperidoside
 77 81  0  0  0  0  0  0  0  0999 V2000
   10.0557    1.6813    0.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7939    2.1496    0.9275 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6045    1.6526    0.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6480    0.6966   -0.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4566    0.2216   -1.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2300    0.6771   -0.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9665    0.1590   -1.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2126   -1.0548   -2.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9121   -1.4290   -2.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7740   -1.7114   -4.0390 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7540   -1.4436   -1.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6001   -2.0790   -2.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5782   -2.7082   -3.5378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4669   -2.1010   -1.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4204   -1.4696   -0.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5417   -1.5265    0.6253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6405   -0.9416    1.8719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7130   -1.8861    2.9079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7868   -2.7288    2.7958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414   -4.0545    2.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5737   -4.8620    2.0704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9608   -2.0963    2.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1121   -2.7913    2.4352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0292   -0.6707    2.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9452   -0.7289    3.9552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8043    0.0398    1.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2161    0.5167    0.7551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2591    1.8691    0.6062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3421    2.2280   -0.3816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7258    1.9426   -1.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0277    3.2221   -2.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9176    1.0392   -1.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3140    1.0685   -3.1251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0976    1.5186   -0.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7790    0.4034   -0.4644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5972    2.4030    0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5104    2.5497    1.1698 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7576   -0.8379    0.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8578   -0.8118   -0.7098 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0262   -0.1626   -0.3409 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1939    1.6233    0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3759    2.1122    0.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3418    3.0723    1.7786 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8312    2.2900    0.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1728    0.6114    0.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1278    1.7291   -0.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6129    0.3451   -0.9488 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5378   -0.5252   -1.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5733    0.9451   -2.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6438   -1.8510   -1.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8789   -0.7881   -3.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2871   -3.1698   -3.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3802   -2.5925   -1.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -0.3590    2.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1508   -2.9596    3.8186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5722   -4.5338    2.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1610   -3.8077    1.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3830   -5.6294    1.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8357   -2.1502    0.9597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8741   -2.3310    2.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9564   -0.1647    2.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1530   -0.1887    4.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5380    0.8066    2.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9365    2.3592    1.5412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8780    1.4278   -2.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7346    4.1266   -1.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1089    3.3152   -2.6574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5072    3.2136   -3.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6742   -0.0267   -1.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2772    1.3012   -3.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8241    2.0616   -1.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5323    0.6883    0.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4143    3.4069   -0.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9955    2.5547    2.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8675   -0.3227    1.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2565    2.0069    0.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4927    3.4603    2.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 15 38  1  0
 38 39  2  0
 39 40  1  0
  6 41  1  0
 41 42  2  0
 42 43  1  0
 42  3  1  0
 40  7  1  0
 39 11  1  0
 26 17  1  0
 36 28  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  4 47  1  0
  5 48  1  0
  7 49  1  0
  8 50  1  0
  8 51  1  0
 13 52  1  0
 14 53  1  0
 17 54  1  0
 19 55  1  0
 20 56  1  0
 20 57  1  0
 21 58  1  0
 22 59  1  0
 23 60  1  0
 24 61  1  0
 25 62  1  0
 26 63  1  0
 28 64  1  0
 30 65  1  0
 31 66  1  0
 31 67  1  0
 31 68  1  0
 32 69  1  0
 33 70  1  0
 34 71  1  0
 35 72  1  0
 36 73  1  0
 37 74  1  0
 38 75  1  0
 41 76  1  0
 43 77  1  0
M  END

  Mrv1652305052017392D          

 43 47  0  0  0  0            999 V2000
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15  8  1  0  0  0  0
 16  4  1  0  0  0  0
 16 13  2  0  0  0  0
 17  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18  7  2  0  0  0  0
 19  9  1  0  0  0  0
 20 14  2  0  0  0  0
 20 15  1  0  0  0  0
 20 18  1  0  0  0  0
 21 10  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
 28 26  1  0  0  0  0
 29  9  1  0  0  0  0
 30 13  1  0  0  0  0
 31 14  1  0  0  0  0
 32 15  2  0  0  0  0
 33 21  1  0  0  0  0
 34 22  1  0  0  0  0
 35 23  1  0  0  0  0
 36 24  1  0  0  0  0
 37 25  1  0  0  0  0
 38  2  1  0  0  0  0
 38 16  1  0  0  0  0
 39 10  1  0  0  0  0
 39 27  1  0  0  0  0
 40 12  1  0  0  0  0
 40 28  1  0  0  0  0
 41 17  1  0  0  0  0
 41 18  1  0  0  0  0
 42 19  1  0  0  0  0
 42 28  1  0  0  0  0
 43 26  1  0  0  0  0
 43 27  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0030748

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3

> <INCHI_KEY>
ARGKVCXINMKCAZ-UHFFFAOYSA-N

> <FORMULA>
C28H34O15

> <MOLECULAR_WEIGHT>
610.5606

> <EXACT_MASS>
610.189770418

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
60.78759795549354

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

> <ALOGPS_LOGP>
-0.27

> <JCHEM_LOGP>
-0.31455698766666607

> <ALOGPS_LOGS>
-2.26

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.821000103238843

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.609506176185302

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6121826294490695

> <JCHEM_POLAR_SURFACE_AREA>
234.2899999999999

> <JCHEM_REFRACTIVITY>
140.76699999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.37e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0030748
     RDKit          3D
Hesperetin 7-neohesperidoside
 77 81  0  0  0  0  0  0  0  0999 V2000
   10.0557    1.6813    0.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7939    2.1496    0.9275 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6045    1.6526    0.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6480    0.6966   -0.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4566    0.2216   -1.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2300    0.6771   -0.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9665    0.1590   -1.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2126   -1.0548   -2.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9121   -1.4290   -2.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7740   -1.7114   -4.0390 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7540   -1.4436   -1.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6001   -2.0790   -2.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5782   -2.7082   -3.5378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4669   -2.1010   -1.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4204   -1.4696   -0.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5417   -1.5265    0.6253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6405   -0.9416    1.8719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7130   -1.8861    2.9079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7868   -2.7288    2.7958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414   -4.0545    2.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5737   -4.8620    2.0704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9608   -2.0963    2.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1121   -2.7913    2.4352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0292   -0.6707    2.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9452   -0.7289    3.9552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8043    0.0398    1.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2161    0.5167    0.7551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2591    1.8691    0.6062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3421    2.2280   -0.3816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7258    1.9426   -1.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0277    3.2221   -2.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9176    1.0392   -1.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3140    1.0685   -3.1251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0976    1.5186   -0.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7790    0.4034   -0.4644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5972    2.4030    0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5104    2.5497    1.1698 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7576   -0.8379    0.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8578   -0.8118   -0.7098 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0262   -0.1626   -0.3409 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1939    1.6233    0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3759    2.1122    0.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3418    3.0723    1.7786 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8312    2.2900    0.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1728    0.6114    0.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1278    1.7291   -0.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6129    0.3451   -0.9488 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5378   -0.5252   -1.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5733    0.9451   -2.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6438   -1.8510   -1.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8789   -0.7881   -3.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2871   -3.1698   -3.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3802   -2.5925   -1.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -0.3590    2.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1508   -2.9596    3.8186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5722   -4.5338    2.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1610   -3.8077    1.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3830   -5.6294    1.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8357   -2.1502    0.9597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8741   -2.3310    2.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9564   -0.1647    2.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1530   -0.1887    4.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5380    0.8066    2.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9365    2.3592    1.5412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8780    1.4278   -2.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7346    4.1266   -1.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1089    3.3152   -2.6574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5072    3.2136   -3.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6742   -0.0267   -1.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2772    1.3012   -3.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8241    2.0616   -1.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5323    0.6883    0.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4143    3.4069   -0.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9955    2.5547    2.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8675   -0.3227    1.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2565    2.0069    0.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4927    3.4603    2.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 15 38  1  0
 38 39  2  0
 39 40  1  0
  6 41  1  0
 41 42  2  0
 42 43  1  0
 42  3  1  0
 40  7  1  0
 39 11  1  0
 26 17  1  0
 36 28  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  4 47  1  0
  5 48  1  0
  7 49  1  0
  8 50  1  0
  8 51  1  0
 13 52  1  0
 14 53  1  0
 17 54  1  0
 19 55  1  0
 20 56  1  0
 20 57  1  0
 21 58  1  0
 22 59  1  0
 23 60  1  0
 24 61  1  0
 25 62  1  0
 26 63  1  0
 28 64  1  0
 30 65  1  0
 31 66  1  0
 31 67  1  0
 31 68  1  0
 32 69  1  0
 33 70  1  0
 34 71  1  0
 35 72  1  0
 36 73  1  0
 37 74  1  0
 38 75  1  0
 41 76  1  0
 43 77  1  0
M  END

HEADER    PROTEIN                                 05-MAY-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-MAY-20         0                                  
HETATM    1  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.671  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.669   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       0.000   4.620   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      13.337   0.000   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
CONECT    1   10                                                            
CONECT    2   38                                                            
CONECT    3    4   11                                                       
CONECT    4    3   16                                                       
CONECT    5   11   13                                                       
CONECT    6   12   14                                                       
CONECT    7   12   18                                                       
CONECT    8   15   17                                                       
CONECT    9   19   29                                                       
CONECT   10    1   21   39                                                  
CONECT   11    3    5   17                                                  
CONECT   12    6    7   40                                                  
CONECT   13    5   16   30                                                  
CONECT   14    6   20   31                                                  
CONECT   15    8   20   32                                                  
CONECT   16    4   13   38                                                  
CONECT   17    8   11   41                                                  
CONECT   18    7   20   41                                                  
CONECT   19    9   22   42                                                  
CONECT   20   14   15   18                                                  
CONECT   21   10   23   33                                                  
CONECT   22   19   24   34                                                  
CONECT   23   21   25   35                                                  
CONECT   24   22   26   36                                                  
CONECT   25   23   27   37                                                  
CONECT   26   24   28   43                                                  
CONECT   27   25   39   43                                                  
CONECT   28   26   40   42                                                  
CONECT   29    9                                                            
CONECT   30   13                                                            
CONECT   31   14                                                            
CONECT   32   15                                                            
CONECT   33   21                                                            
CONECT   34   22                                                            
CONECT   35   23                                                            
CONECT   36   24                                                            
CONECT   37   25                                                            
CONECT   38    2   16                                                       
CONECT   39   10   27                                                       
CONECT   40   12   28                                                       
CONECT   41   17   18                                                       
CONECT   42   19   28                                                       
CONECT   43   26   27                                                       
MASTER        0    0    0    0    0    0    0    0   43    0   94    0
END

COMPND    HMDB0255522
HETATM    1  C1  UNL     1       8.285   2.837   4.318  1.00  0.00           C  
HETATM    2  O1  UNL     1       8.522   2.226   3.056  1.00  0.00           O  
HETATM    3  C2  UNL     1       7.504   1.995   2.153  1.00  0.00           C  
HETATM    4  C3  UNL     1       6.222   2.364   2.480  1.00  0.00           C  
HETATM    5  C4  UNL     1       5.171   2.141   1.583  1.00  0.00           C  
HETATM    6  C5  UNL     1       5.401   1.550   0.361  1.00  0.00           C  
HETATM    7  C6  UNL     1       4.237   1.333  -0.543  1.00  0.00           C  
HETATM    8  C7  UNL     1       4.606   0.524  -1.746  1.00  0.00           C  
HETATM    9  C8  UNL     1       3.367   0.429  -2.584  1.00  0.00           C  
HETATM   10  O2  UNL     1       3.276   0.785  -3.762  1.00  0.00           O  
HETATM   11  C9  UNL     1       2.197  -0.136  -1.911  1.00  0.00           C  
HETATM   12  C10 UNL     1       1.219  -0.822  -2.563  1.00  0.00           C  
HETATM   13  O3  UNL     1       1.286  -1.026  -3.909  1.00  0.00           O  
HETATM   14  C11 UNL     1       0.139  -1.320  -1.821  1.00  0.00           C  
HETATM   15  C12 UNL     1       0.042  -1.137  -0.466  1.00  0.00           C  
HETATM   16  O4  UNL     1      -1.021  -1.623   0.297  1.00  0.00           O  
HETATM   17  C13 UNL     1      -2.114  -2.362  -0.163  1.00  0.00           C  
HETATM   18  O5  UNL     1      -2.065  -3.594   0.495  1.00  0.00           O  
HETATM   19  C14 UNL     1      -3.033  -4.484   0.122  1.00  0.00           C  
HETATM   20  C15 UNL     1      -2.512  -5.797  -0.414  1.00  0.00           C  
HETATM   21  O6  UNL     1      -3.583  -6.619  -0.758  1.00  0.00           O  
HETATM   22  C16 UNL     1      -4.049  -3.836  -0.769  1.00  0.00           C  
HETATM   23  O7  UNL     1      -5.155  -4.702  -0.975  1.00  0.00           O  
HETATM   24  C17 UNL     1      -4.559  -2.601  -0.105  1.00  0.00           C  
HETATM   25  O8  UNL     1      -5.200  -2.866   1.108  1.00  0.00           O  
HETATM   26  C18 UNL     1      -3.433  -1.630   0.116  1.00  0.00           C  
HETATM   27  O9  UNL     1      -3.540  -0.605  -0.795  1.00  0.00           O  
HETATM   28  C19 UNL     1      -3.580   0.653  -0.203  1.00  0.00           C  
HETATM   29  O10 UNL     1      -2.510   1.432  -0.578  1.00  0.00           O  
HETATM   30  C20 UNL     1      -2.531   2.642   0.100  1.00  0.00           C  
HETATM   31  C21 UNL     1      -2.476   2.465   1.597  1.00  0.00           C  
HETATM   32  C22 UNL     1      -3.717   3.466  -0.248  1.00  0.00           C  
HETATM   33  O11 UNL     1      -4.148   4.151   0.886  1.00  0.00           O  
HETATM   34  C23 UNL     1      -4.820   2.713  -0.926  1.00  0.00           C  
HETATM   35  O12 UNL     1      -6.026   3.331  -0.600  1.00  0.00           O  
HETATM   36  C24 UNL     1      -4.913   1.271  -0.526  1.00  0.00           C  
HETATM   37  O13 UNL     1      -5.757   1.114   0.573  1.00  0.00           O  
HETATM   38  C25 UNL     1       1.063  -0.433   0.144  1.00  0.00           C  
HETATM   39  C26 UNL     1       2.152   0.083  -0.529  1.00  0.00           C  
HETATM   40  O14 UNL     1       3.146   0.778   0.121  1.00  0.00           O  
HETATM   41  C27 UNL     1       6.685   1.191   0.056  1.00  0.00           C  
HETATM   42  C28 UNL     1       7.738   1.400   0.921  1.00  0.00           C  
HETATM   43  O15 UNL     1       9.046   1.049   0.646  1.00  0.00           O  
HETATM   44  H1  UNL     1       9.207   2.941   4.897  1.00  0.00           H  
HETATM   45  H2  UNL     1       7.744   3.780   4.140  1.00  0.00           H  
HETATM   46  H3  UNL     1       7.548   2.159   4.829  1.00  0.00           H  
HETATM   47  H4  UNL     1       6.049   2.834   3.455  1.00  0.00           H  
HETATM   48  H5  UNL     1       4.177   2.449   1.883  1.00  0.00           H  
HETATM   49  H6  UNL     1       3.901   2.337  -0.946  1.00  0.00           H  
HETATM   50  H7  UNL     1       5.429   0.971  -2.335  1.00  0.00           H  
HETATM   51  H8  UNL     1       4.918  -0.501  -1.474  1.00  0.00           H  
HETATM   52  H9  UNL     1       1.984  -0.749  -4.524  1.00  0.00           H  
HETATM   53  H10 UNL     1      -0.606  -1.851  -2.373  1.00  0.00           H  
HETATM   54  H11 UNL     1      -2.023  -2.550  -1.229  1.00  0.00           H  
HETATM   55  H12 UNL     1      -3.592  -4.758   1.068  1.00  0.00           H  
HETATM   56  H13 UNL     1      -1.965  -6.319   0.402  1.00  0.00           H  
HETATM   57  H14 UNL     1      -1.815  -5.695  -1.248  1.00  0.00           H  
HETATM   58  H15 UNL     1      -3.332  -7.179  -1.534  1.00  0.00           H  
HETATM   59  H16 UNL     1      -3.668  -3.584  -1.763  1.00  0.00           H  
HETATM   60  H17 UNL     1      -5.674  -4.791  -0.130  1.00  0.00           H  
HETATM   61  H18 UNL     1      -5.326  -2.107  -0.770  1.00  0.00           H  
HETATM   62  H19 UNL     1      -4.454  -2.937   1.780  1.00  0.00           H  
HETATM   63  H20 UNL     1      -3.401  -1.253   1.169  1.00  0.00           H  
HETATM   64  H21 UNL     1      -3.506   0.473   0.893  1.00  0.00           H  
HETATM   65  H22 UNL     1      -1.575   3.172  -0.181  1.00  0.00           H  
HETATM   66  H23 UNL     1      -1.688   1.719   1.859  1.00  0.00           H  
HETATM   67  H24 UNL     1      -2.128   3.433   2.019  1.00  0.00           H  
HETATM   68  H25 UNL     1      -3.452   2.254   2.044  1.00  0.00           H  
HETATM   69  H26 UNL     1      -3.375   4.279  -0.953  1.00  0.00           H  
HETATM   70  H27 UNL     1      -4.820   4.848   0.611  1.00  0.00           H  
HETATM   71  H28 UNL     1      -4.705   2.798  -2.027  1.00  0.00           H  
HETATM   72  H29 UNL     1      -6.764   3.083  -1.209  1.00  0.00           H  
HETATM   73  H30 UNL     1      -5.404   0.727  -1.370  1.00  0.00           H  
HETATM   74  H31 UNL     1      -5.340   0.639   1.314  1.00  0.00           H  
HETATM   75  H32 UNL     1       0.993  -0.283   1.220  1.00  0.00           H  
HETATM   76  H33 UNL     1       6.895   0.725  -0.899  1.00  0.00           H  
HETATM   77  H34 UNL     1       9.205   0.609  -0.269  1.00  0.00           H  
CONECT    1    2   44   45   46
CONECT    2    3
CONECT    3    4    4   42
CONECT    4    5   47
CONECT    5    6    6   48
CONECT    6    7   41
CONECT    7    8   40   49
CONECT    8    9   50   51
CONECT    9   10   10   11
CONECT   11   12   12   39
CONECT   12   13   14
CONECT   13   52
CONECT   14   15   15   53
CONECT   15   16   38
CONECT   16   17
CONECT   17   18   26   54
CONECT   18   19
CONECT   19   20   22   55
CONECT   20   21   56   57
CONECT   21   58
CONECT   22   23   24   59
CONECT   23   60
CONECT   24   25   26   61
CONECT   25   62
CONECT   26   27   63
CONECT   27   28
CONECT   28   29   36   64
CONECT   29   30
CONECT   30   31   32   65
CONECT   31   66   67   68
CONECT   32   33   34   69
CONECT   33   70
CONECT   34   35   36   71
CONECT   35   72
CONECT   36   37   73
CONECT   37   74
CONECT   38   39   39   75
CONECT   39   40
CONECT   41   42   42   76
CONECT   42   43
CONECT   43   77
END

HMDB0030748
     RDKit          3D
Hesperetin 7-neohesperidoside
 77 81  0  0  0  0  0  0  0  0999 V2000
   10.0557    1.6813    0.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7939    2.1496    0.9275 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6045    1.6526    0.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6480    0.6966   -0.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4566    0.2216   -1.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2300    0.6771   -0.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9665    0.1590   -1.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2126   -1.0548   -2.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9121   -1.4290   -2.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7740   -1.7114   -4.0390 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7540   -1.4436   -1.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6001   -2.0790   -2.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5782   -2.7082   -3.5378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4669   -2.1010   -1.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4204   -1.4696   -0.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5417   -1.5265    0.6253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6405   -0.9416    1.8719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7130   -1.8861    2.9079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7868   -2.7288    2.7958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414   -4.0545    2.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5737   -4.8620    2.0704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9608   -2.0963    2.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1121   -2.7913    2.4352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0292   -0.6707    2.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9452   -0.7289    3.9552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8043    0.0398    1.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2161    0.5167    0.7551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2591    1.8691    0.6062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3421    2.2280   -0.3816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7258    1.9426   -1.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0277    3.2221   -2.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9176    1.0392   -1.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3140    1.0685   -3.1251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0976    1.5186   -0.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7790    0.4034   -0.4644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5972    2.4030    0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5104    2.5497    1.1698 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7576   -0.8379    0.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8578   -0.8118   -0.7098 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0262   -0.1626   -0.3409 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1939    1.6233    0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3759    2.1122    0.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3418    3.0723    1.7786 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8312    2.2900    0.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1728    0.6114    0.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1278    1.7291   -0.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6129    0.3451   -0.9488 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5378   -0.5252   -1.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5733    0.9451   -2.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6438   -1.8510   -1.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8789   -0.7881   -3.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2871   -3.1698   -3.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3802   -2.5925   -1.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -0.3590    2.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1508   -2.9596    3.8186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5722   -4.5338    2.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1610   -3.8077    1.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3830   -5.6294    1.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8357   -2.1502    0.9597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8741   -2.3310    2.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9564   -0.1647    2.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1530   -0.1887    4.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5380    0.8066    2.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9365    2.3592    1.5412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8780    1.4278   -2.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7346    4.1266   -1.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1089    3.3152   -2.6574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5072    3.2136   -3.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6742   -0.0267   -1.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2772    1.3012   -3.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8241    2.0616   -1.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5323    0.6883    0.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4143    3.4069   -0.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9955    2.5547    2.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8675   -0.3227    1.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2565    2.0069    0.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4927    3.4603    2.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 15 38  1  0
 38 39  2  0
 39 40  1  0
  6 41  1  0
 41 42  2  0
 42 43  1  0
 42  3  1  0
 40  7  1  0
 39 11  1  0
 26 17  1  0
 36 28  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  4 47  1  0
  5 48  1  0
  7 49  1  0
  8 50  1  0
  8 51  1  0
 13 52  1  0
 14 53  1  0
 17 54  1  0
 19 55  1  0
 20 56  1  0
 20 57  1  0
 21 58  1  0
 22 59  1  0
 23 60  1  0
 24 61  1  0
 25 62  1  0
 26 63  1  0
 28 64  1  0
 30 65  1  0
 31 66  1  0
 31 67  1  0
 31 68  1  0
 32 69  1  0
 33 70  1  0
 34 71  1  0
 35 72  1  0
 36 73  1  0
 37 74  1  0
 38 75  1  0
 41 76  1  0
 43 77  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Hesperetin 7-O-neohesperidoside	HMDB
Neohesperidin	HMDB

Chemical Formula

C₂₈H₃₄O₁₅

Average Molecular Weight

610.5606

Monoisotopic Molecular Weight

610.189770418

IUPAC Name

7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

Traditional Name

7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one

CAS Registry Number

13241-33-3

SMILES

COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1

InChI Identifier

InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3

InChI Key

ARGKVCXINMKCAZ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cyclobutane lignans. These are lignans with a structure characterized by to phenylpropanoid units coupled together through the C7-C7' and C8-C8' bonds, forming a cyclobutane ring with the C7, C7', C8', and C8 atoms.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Cyclobutane lignans

Sub Class

Not Available

Direct Parent

Cyclobutane lignans

Alternative Parents

Substituents

Cyclobutane lignan skeleton
Dibenzylbutane lignan skeleton
Stilbene
Phenoxy compound
Methoxybenzene
Phenol ether
Anisole
Alkyl aryl ether
Benzenoid
Monocyclic benzene moiety
Ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0030748)
Cytoplasm (HMDB: HMDB0030748)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0030748)

Source

Endogenous

Endogenous (HMDB: HMDB0030748)

Plant

Plant (HMDB: HMDB0030748)

Exogenous

Food

Food (HMDB: HMDB0030748)

Fruit

Citrus

Grapefruit (FooDB: FOOD00256)
Lemon (FooDB: FOOD00054)
Lime (FooDB: FOOD00053)
Sweet orange (FooDB: FOOD00057)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Pummelo (FooDB: FOOD00055)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Citrus (FooDB: FOOD00859)

Exogenous (HMDB: HMDB0030748)

Process

Not Available

Role

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	244 °C	Not Available
Boiling Point	933.70 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	2041 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	2.440 (est)	The Good Scents Company Information System

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	3.37 g/L	ALOGPS
logP	-0.27	ALOGPS
logP	-0.31	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	8.61	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	234.29 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	140.77 m³·mol⁻¹	ChemAxon
Polarizability	60.79 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	240.07	31661259
DarkChem	[M-H]-	229.899	31661259
DeepCCS	[M+H]+	232.058	30932474
DeepCCS	[M-H]-	229.662	30932474
DeepCCS	[M-2H]-	262.656	30932474
DeepCCS	[M+Na]+	237.971	30932474
AllCCS	[M+H]+	234.9	32859911
AllCCS	[M+H-H2O]+	233.8	32859911
AllCCS	[M+NH4]+	235.9	32859911
AllCCS	[M+Na]+	236.2	32859911
AllCCS	[M-H]-	228.3	32859911
AllCCS	[M+Na-2H]-	230.8	32859911
AllCCS	[M+HCOO]-	233.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Hesperetin 7-neohesperidoside	COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1	5397.1	Standard polar	33892256
Hesperetin 7-neohesperidoside	COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1	4952.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside	COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1	5353.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Hesperetin 7-neohesperidoside,1TMS,isomer #1	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5258.0	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,1TMS,isomer #1	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4836.1	Standard non polar	33892256
Hesperetin 7-neohesperidoside,1TMS,isomer #2	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	5271.2	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,1TMS,isomer #2	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4829.4	Standard non polar	33892256
Hesperetin 7-neohesperidoside,1TMS,isomer #3	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	5290.8	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,1TMS,isomer #3	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	4851.9	Standard non polar	33892256
Hesperetin 7-neohesperidoside,1TMS,isomer #4	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	5259.6	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,1TMS,isomer #4	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	4764.4	Standard non polar	33892256
Hesperetin 7-neohesperidoside,1TMS,isomer #5	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	5281.1	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,1TMS,isomer #5	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	4763.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,1TMS,isomer #6	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	5263.2	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,1TMS,isomer #6	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	4776.0	Standard non polar	33892256
Hesperetin 7-neohesperidoside,1TMS,isomer #7	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5222.2	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,1TMS,isomer #7	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4782.9	Standard non polar	33892256
Hesperetin 7-neohesperidoside,1TMS,isomer #8	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5222.7	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,1TMS,isomer #8	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4789.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #1	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	5167.7	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #1	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4844.9	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #10	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	5174.6	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #10	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4772.2	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #11	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	5160.0	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #11	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4780.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #12	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	5098.3	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #12	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4788.1	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #13	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	5125.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #13	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4793.5	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #14	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	5188.3	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #14	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	4808.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #15	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	5188.8	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #15	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	4786.9	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #16	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	5160.6	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #16	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	4801.9	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #17	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5107.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #17	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4809.5	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #18	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5126.8	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #18	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4814.3	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #19	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	5162.8	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #19	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	4721.1	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #2	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5164.6	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #2	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4860.5	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #20	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	5130.0	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #20	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	4727.9	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #21	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5078.4	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #21	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4736.2	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #22	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5099.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #22	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4739.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #23	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	5147.9	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #23	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	4721.8	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #24	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5096.3	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #24	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4730.3	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #25	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5111.6	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #25	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4738.2	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #26	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5121.7	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #26	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4728.9	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #27	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5108.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #27	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4747.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #28	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	5104.2	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #28	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4753.3	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #3	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5141.4	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #3	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4784.1	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #4	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5156.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #4	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4782.4	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #5	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5142.9	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #5	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4790.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #6	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	5082.6	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #6	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4799.2	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #7	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5119.0	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #7	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4802.2	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #8	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	5185.0	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #8	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4856.8	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #9	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	5158.4	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TMS,isomer #9	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4776.1	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #1	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	5047.1	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #1	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4872.3	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #10	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4980.3	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #10	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4814.3	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #11	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5019.2	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #11	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4815.1	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #12	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5046.3	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #12	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4734.2	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #13	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5030.2	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #13	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4746.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #14	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4967.2	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #14	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4751.0	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #15	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5005.6	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #15	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4757.1	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #16	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5036.7	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #16	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4732.3	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #17	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4976.4	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #17	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4736.9	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #18	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5010.2	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #18	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4748.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #19	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	5004.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #19	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4739.2	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #2	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	5032.8	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #2	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4801.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #20	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5017.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #20	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4760.8	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #21	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5001.9	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #21	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4753.5	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #22	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	5064.7	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #22	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4813.4	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #23	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	5034.3	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #23	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4781.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #24	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	5039.1	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #24	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4791.5	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #25	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4959.0	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #25	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4797.8	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #26	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4998.9	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #26	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4803.8	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #27	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	5024.3	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #27	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4714.1	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #28	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	5017.3	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #28	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4727.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #29	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4949.8	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #29	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4730.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #3	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	5035.7	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #3	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4786.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #30	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4976.0	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #30	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4738.2	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #31	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	5024.8	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #31	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4710.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #32	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4956.4	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #32	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4714.2	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #33	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4980.0	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #33	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4727.2	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #34	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4980.0	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #34	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4718.4	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #35	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4990.6	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #35	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4741.1	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #36	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4971.1	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #36	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4731.2	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #37	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	5082.6	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #37	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	4747.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #38	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	5062.8	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #38	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	4759.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #39	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4997.7	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #39	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4765.3	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #4	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	5041.1	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #4	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4791.8	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #40	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5033.7	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #40	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4769.5	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #41	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	5031.0	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #41	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	4729.0	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #42	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4962.6	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #42	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4735.0	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #43	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4991.2	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #43	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4743.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #44	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4992.9	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #44	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4737.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #45	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5001.4	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #45	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4759.9	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #46	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4986.3	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #46	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4751.3	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #47	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	5016.4	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #47	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	4668.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #48	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4966.1	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #48	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4674.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #49	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4989.7	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #49	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4682.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #5	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4954.9	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #5	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4798.8	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #50	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4961.9	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #50	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4684.0	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #51	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4972.6	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #51	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4703.2	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #52	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4962.4	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #52	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4695.0	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #53	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4974.6	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #53	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4664.5	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #54	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4983.0	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #54	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4690.0	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #55	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4972.4	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #55	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4679.3	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #56	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4994.7	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #56	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4698.3	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #6	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4998.0	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #6	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4803.9	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #7	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5072.2	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #7	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4823.4	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #8	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5045.6	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #8	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4794.3	Standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #9	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5048.9	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,3TMS,isomer #9	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4805.2	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #1	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4927.4	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #1	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4816.5	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #10	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4882.0	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #10	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4704.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #11	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4807.0	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #11	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4708.8	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #12	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4837.0	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #12	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4724.1	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #13	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4853.1	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #13	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4714.0	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #14	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4857.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #14	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4740.9	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #15	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4833.1	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #15	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4726.1	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #16	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4964.6	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #16	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4746.9	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #17	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4949.9	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #17	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4753.4	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #18	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4871.8	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #18	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4757.1	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #19	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4903.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #19	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4765.1	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #2	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4903.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #2	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4780.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #20	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4926.0	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #20	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4717.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #21	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4847.9	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #21	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4720.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #22	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4881.0	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #22	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4734.1	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #23	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4882.9	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #23	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4722.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #24	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4880.3	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #24	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4748.9	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #25	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4859.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #25	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4734.0	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #26	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4906.1	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #26	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	4666.1	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #27	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4835.3	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #27	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4667.9	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #28	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4867.9	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #28	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4680.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #29	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4857.4	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #29	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4680.4	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #3	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4909.7	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #3	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4785.2	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #30	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4859.1	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #30	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4704.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #31	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4840.1	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #31	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4689.8	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #32	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4850.9	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #32	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	4654.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #33	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4858.1	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #33	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4684.0	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #34	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4839.4	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #34	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4668.2	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #35	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4885.2	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #35	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4691.4	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #36	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4921.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #36	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4726.5	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #37	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4912.4	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #37	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4733.8	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #38	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4835.6	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #38	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4735.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #39	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4858.0	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #39	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4747.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #4	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4824.9	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #4	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4787.3	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #40	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4893.9	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #40	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4696.5	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #41	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4819.6	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #41	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4699.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #42	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4838.2	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #42	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4714.5	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #43	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4845.0	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #43	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4700.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #44	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4836.7	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #44	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4727.8	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #45	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4819.1	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #45	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4713.5	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #46	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4865.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #46	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4638.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #47	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4796.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #47	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4642.1	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #48	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4816.8	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #48	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4654.1	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #49	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4825.2	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #49	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4658.3	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #5	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4859.7	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #5	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4799.5	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #50	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4822.9	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #50	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4681.1	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #51	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4801.2	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #51	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4665.8	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #52	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4816.3	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #52	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4628.3	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #53	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4816.7	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #53	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4656.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #54	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4795.9	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #54	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4640.3	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #55	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4837.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #55	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	4663.0	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #56	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	4937.3	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #56	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	4674.0	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #57	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4860.8	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #57	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4676.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #58	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4893.8	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #58	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4688.9	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #59	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4863.2	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #59	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4685.3	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #6	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4889.1	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #6	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4720.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #60	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4867.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #60	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4709.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #61	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4849.1	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #61	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4694.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #62	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4840.4	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #62	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4650.3	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #63	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4842.1	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #63	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4678.4	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #64	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4819.4	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #64	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4662.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #65	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4860.1	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #65	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4680.9	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #66	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4818.8	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #66	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	4597.3	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #67	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4827.8	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #67	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	4625.9	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #68	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4806.3	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #68	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4607.4	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #69	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4833.2	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #69	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4639.3	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #7	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4889.2	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #7	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4733.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #70	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4829.0	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #70	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	4615.9	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #8	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4813.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #8	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4736.4	Standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #9	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4842.2	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,4TMS,isomer #9	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	4746.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,1TBDMS,isomer #1	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5493.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,1TBDMS,isomer #1	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5086.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,1TBDMS,isomer #2	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	5503.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,1TBDMS,isomer #2	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	5078.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,1TBDMS,isomer #3	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	5515.6	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,1TBDMS,isomer #3	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	5093.2	Standard non polar	33892256
Hesperetin 7-neohesperidoside,1TBDMS,isomer #4	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	5523.8	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,1TBDMS,isomer #4	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	5013.4	Standard non polar	33892256
Hesperetin 7-neohesperidoside,1TBDMS,isomer #5	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	5542.7	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,1TBDMS,isomer #5	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	5012.5	Standard non polar	33892256
Hesperetin 7-neohesperidoside,1TBDMS,isomer #6	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O	5525.0	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,1TBDMS,isomer #6	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O	5028.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,1TBDMS,isomer #7	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	5491.4	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,1TBDMS,isomer #7	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	5034.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,1TBDMS,isomer #8	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	5482.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,1TBDMS,isomer #8	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	5042.1	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #1	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O[Si](C)(C)C(C)(C)C	5587.9	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #1	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O[Si](C)(C)C(C)(C)C	5286.0	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #10	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	5612.8	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #10	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	5203.0	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #11	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	5591.3	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #11	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	5208.8	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #12	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	5551.8	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #12	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	5214.2	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #13	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	5535.2	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #13	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	5225.2	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #14	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	5608.6	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #14	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	5253.9	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #15	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	5618.6	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #15	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	5227.8	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #16	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O	5595.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #16	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O	5239.2	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #17	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	5554.1	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #17	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	5246.1	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #18	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	5544.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #18	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	5254.0	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #19	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	5606.2	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #19	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O	5158.8	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #2	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5582.9	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #2	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5303.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #20	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O	5588.2	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #20	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O	5163.0	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #21	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	5543.7	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #21	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	5168.7	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #22	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	5533.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #22	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	5178.8	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #23	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O	5609.3	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #23	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O	5145.1	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #24	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	5567.3	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #24	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	5150.3	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #25	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	5552.4	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #25	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	5166.8	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #26	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	5565.6	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #26	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	5159.5	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #27	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	5548.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #27	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	5176.1	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #28	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	5538.3	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #28	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	5180.0	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #3	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5582.2	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #3	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5232.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #4	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5600.6	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #4	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5223.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #5	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5581.7	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #5	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5229.6	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #6	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5537.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #6	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5237.3	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #7	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5536.9	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #7	COC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5244.5	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #8	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	5594.5	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #8	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	5295.0	Standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #9	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	5595.8	Semi standard non polar	33892256
Hesperetin 7-neohesperidoside,2TBDMS,isomer #9	COC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	5212.7	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Hesperetin 7-neohesperidoside GC-EI-TOF (Non-derivatized)	splash10-014j-0930000000-e06187b94b91bece73eb	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Hesperetin 7-neohesperidoside GC-EI-TOF (Non-derivatized)	splash10-014j-0930000000-e06187b94b91bece73eb	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hesperetin 7-neohesperidoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0595-7211090000-ad27da094f49ce125ea4	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hesperetin 7-neohesperidoside GC-MS (1 TMS) - 70eV, Positive	splash10-0lk9-9311018000-7c8542e0ec6068c1b53e	2017-10-06	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside LC-ESI-TOF , negative-QTOF	splash10-0a4i-0000009000-22f8094c7ada8928b694	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside LC-ESI-TOF , negative-QTOF	splash10-0a4i-0003009000-68522ebdb396405fee53	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside LC-ESI-TOF , negative-QTOF	splash10-0a4i-0000009000-04cc3791b0a80ce12a35	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside LC-ESI-TOF , negative-QTOF	splash10-0udi-0009001000-a784d35122c71c756b90	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside 6V, Positive-QTOF	splash10-0a4i-0000009000-f7ccd876e0275858b784	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside 6V, Positive-QTOF	splash10-0udi-0009000000-19148a209130a5aa898c	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside 6V, Positive-QTOF	splash10-0udi-0439501000-9b8f76f75a3bb45c3794	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside 6V, Positive-QTOF	splash10-0w29-0961000000-70b0466bf27ab8ba5460	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside 6V, Positive-QTOF	splash10-0udi-0009000000-8d4547c9300481f47b64	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside 6V, Positive-QTOF	splash10-0w29-0961000000-f28f6c5de90993cbc017	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside 6V, Positive-QTOF	splash10-0a4i-0000009000-3c9b3e61420c62c3ef5e	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside 6V, Positive-QTOF	splash10-0a4i-0000009000-5389085d4e4a4c938832	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside 6V, Positive-QTOF	splash10-0udi-0009000000-560c9f79f2b1714bb14a	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside 6V, Negative-QTOF	splash10-0pb9-0006009000-84cd0bf5ac7208a8b6db	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside 6V, Positive-QTOF	splash10-0udi-0439501000-3bd1a33265783be93f7b	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside 6V, Positive-QTOF	splash10-0w29-0960000000-a8efbff7c5c9972af64c	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside 6V, Positive-QTOF	splash10-0pb9-0017009000-97193b5009abc913a2dc	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside 6V, Positive-QTOF	splash10-0pb9-0017009000-de07800bc91724543b91	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside 6V, Positive-QTOF	splash10-0pb9-0006009000-de6a04d7ce700b9463a8	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside 10V, Positive-QTOF	splash10-0udj-0337932000-4f816481d88bc4dc284a	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside 20V, Positive-QTOF	splash10-0udr-0469400000-61a492d660c6ac50cab2	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside 40V, Positive-QTOF	splash10-0udi-1945000000-a59da63ead1fe0951214	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside 10V, Negative-QTOF	splash10-0r01-4639756000-940018a6761f4084c98a	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside 20V, Negative-QTOF	splash10-0w2a-2947520000-9e4e51caf6c79a3d2ddc	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hesperetin 7-neohesperidoside 40V, Negative-QTOF	splash10-0udi-9757000000-cad4fecc590b2576b2fb	2015-04-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-30	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

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

232990

PDB ID

Not Available

ChEBI ID

59016

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1699521

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Hesperetin 7-neohesperidoside (HMDB0030748)

MOL for HMDB0030748 (Hesperetin 7-neohesperidoside)

3D MOL for HMDB0030748 (Hesperetin 7-neohesperidoside)

3D SDF for HMDB0030748 (Hesperetin 7-neohesperidoside)

3D-SDF for HMDB0030748 (Hesperetin 7-neohesperidoside)

PDB for HMDB0030748 (Hesperetin 7-neohesperidoside)

3D PDB for HMDB0030748 (Hesperetin 7-neohesperidoside)

SMILES for HMDB0030748 (Hesperetin 7-neohesperidoside)

INCHI for HMDB0030748 (Hesperetin 7-neohesperidoside)

Structure for HMDB0030748 (Hesperetin 7-neohesperidoside)

3D Structure for HMDB0030748 (Hesperetin 7-neohesperidoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra