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 22:46:41 UTC

Update Date

2022-03-07 02:55:22 UTC

HMDB ID

HMDB0037527

Secondary Accession Numbers

HMDB37527

Metabolite Identification

Common Name

3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside]

Description

3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside], also known as 3-hydroxy-beta-ionol-glucopyranosyl(1-6)glucopyranoside, belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Based on a literature review a small amount of articles have been published on 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside].

Structure

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


  Mrv0541 05061309502D          

 37 39  0  0  0  0            999 V2000
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6131    4.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737    4.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    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
   -0.7145   -0.4125    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
    4.2868    4.9500    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
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    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
   -3.5724   -1.2375    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
   -2.8579   -1.6500    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
   -2.1434   -1.2375    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
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    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
  6  5  2  0  0  0  0
 11  1  1  0  0  0  0
 11  7  1  0  0  0  0
 12  2  1  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14  6  1  0  0  0  0
 14 11  2  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25  3  1  0  0  0  0
 25  4  1  0  0  0  0
 25  8  1  0  0  0  0
 25 14  1  0  0  0  0
 26  9  1  0  0  0  0
 27 12  1  0  0  0  0
 28 17  1  0  0  0  0
 29 18  1  0  0  0  0
 30 19  1  0  0  0  0
 31 20  1  0  0  0  0
 32 21  1  0  0  0  0
 33 22  1  0  0  0  0
 34 10  1  0  0  0  0
 34 23  1  0  0  0  0
 35 13  1  0  0  0  0
 35 24  1  0  0  0  0
 36 15  1  0  0  0  0
 36 23  1  0  0  0  0
 37 16  1  0  0  0  0
 37 24  1  0  0  0  0
M  END

HMDB0037527
     RDKit          3D
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside]
 79 81  0  0  0  0  0  0  0  0999 V2000
    3.4079    2.3183   -1.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3429    1.3447   -0.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4526    0.7414   -0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6959    1.0644   -0.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8670    0.5332   -0.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0359    0.9804   -1.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3056    2.4310   -1.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1390    0.2411   -1.1325 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4742   -0.2168    0.8989 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9101   -1.5898    0.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4575    0.2815    1.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1499   -0.3592    1.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9827   -0.3396    0.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8378   -0.5728    1.3028 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0424   -1.5805    0.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1736   -1.0297    0.4437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0748   -0.9667    1.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1810   -0.0188    1.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9007   -0.3700    0.0487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9049    0.5689   -0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1113   -0.1121   -0.1257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2092    0.6832   -0.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3675   -0.2572   -0.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6224   -1.1410    0.3236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0228    1.6990   -1.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1902    1.7171   -2.2135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8811    1.3649   -2.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7368    2.4397   -3.2402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6424    1.1672   -1.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7413    0.3974   -2.2824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6428   -2.3621    1.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3522   -2.4910    2.8609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5100   -3.3292    1.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4822   -3.8728    0.2600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1860   -2.6869    1.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7944   -3.6756    1.6716 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0046    1.1025    0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1305    3.1374   -1.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166    1.8348   -2.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    2.8117   -1.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6335    1.7885   -1.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9994   -0.2084    0.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8370    0.8644   -2.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8986    2.5070   -0.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3391    2.9681   -0.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7847    2.9715   -2.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5089    0.6072   -0.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7361   -1.9671    1.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2033   -1.5817   -0.6587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0669   -2.3193    0.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1653   -0.5240    2.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8597    0.4539    2.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0027    1.1703    1.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0873   -1.2126    2.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9851    0.5432    2.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1270   -0.9874   -0.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5204   -2.0040   -0.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004   -0.6198    2.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7677    1.0067    0.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8315    0.1146    2.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8566    1.3419    0.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4720    1.1743    0.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2867    0.3220   -0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0816   -0.8469   -1.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8600   -1.3086    0.9027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8334    2.7024   -0.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9428    2.1514   -1.7434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1576    0.4681   -2.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5807    2.6939   -3.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1509    2.1481   -1.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2111   -0.1839   -2.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3494   -2.5056    0.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1870   -2.9907    2.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6398   -4.1436    2.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0894   -3.2263   -0.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0894   -2.2835    2.8326 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0391   -4.0316    2.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036    1.2455   -0.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8504    1.8142    0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  3  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  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
 21 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 17 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 13 37  1  0
 37  2  1  0
 35 15  1  0
 29 20  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  4 41  1  0
  5 42  1  0
  6 43  1  0
  7 44  1  0
  7 45  1  0
  7 46  1  0
  8 47  1  0
 10 48  1  0
 10 49  1  0
 10 50  1  0
 11 51  1  0
 11 52  1  0
 11 53  1  0
 12 54  1  0
 12 55  1  0
 13 56  1  0
 15 57  1  0
 17 58  1  0
 18 59  1  0
 18 60  1  0
 20 61  1  0
 22 62  1  0
 23 63  1  0
 23 64  1  0
 24 65  1  0
 25 66  1  0
 26 67  1  0
 27 68  1  0
 28 69  1  0
 29 70  1  0
 30 71  1  0
 31 72  1  0
 32 73  1  0
 33 74  1  0
 34 75  1  0
 35 76  1  0
 36 77  1  0
 37 78  1  0
 37 79  1  0
M  END


  Mrv0541 05061309502D          

 37 39  0  0  0  0            999 V2000
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6131    4.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737    4.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    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
   -0.7145   -0.4125    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
    4.2868    4.9500    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
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    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
   -3.5724   -1.2375    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
   -2.8579   -1.6500    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
   -2.1434   -1.2375    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
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    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
  6  5  2  0  0  0  0
 11  1  1  0  0  0  0
 11  7  1  0  0  0  0
 12  2  1  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14  6  1  0  0  0  0
 14 11  2  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25  3  1  0  0  0  0
 25  4  1  0  0  0  0
 25  8  1  0  0  0  0
 25 14  1  0  0  0  0
 26  9  1  0  0  0  0
 27 12  1  0  0  0  0
 28 17  1  0  0  0  0
 29 18  1  0  0  0  0
 30 19  1  0  0  0  0
 31 20  1  0  0  0  0
 32 21  1  0  0  0  0
 33 22  1  0  0  0  0
 34 10  1  0  0  0  0
 34 23  1  0  0  0  0
 35 13  1  0  0  0  0
 35 24  1  0  0  0  0
 36 15  1  0  0  0  0
 36 23  1  0  0  0  0
 37 16  1  0  0  0  0
 37 24  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037527

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(O)\C=C\C1=C(C)CC(CC1(C)C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C25H42O12/c1-11-7-13(8-25(3,4)14(11)6-5-12(2)27)35-24-22(33)20(31)18(29)16(37-24)10-34-23-21(32)19(30)17(28)15(9-26)36-23/h5-6,12-13,15-24,26-33H,7-10H2,1-4H3/b6-5+

> <INCHI_KEY>
JZJSTNWTRLNQSL-AATRIKPKSA-N

> <FORMULA>
C25H42O12

> <MOLECULAR_WEIGHT>
534.5938

> <EXACT_MASS>
534.267626808

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
55.94676269949537

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-({4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-0.92

> <JCHEM_LOGP>
-1.886091184000001

> <ALOGPS_LOGS>
-2.20

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.432791479379489

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.91055185030616

> <JCHEM_PKA_STRONGEST_BASIC>
-1.9458688332226228

> <JCHEM_POLAR_SURFACE_AREA>
198.75999999999996

> <JCHEM_REFRACTIVITY>
129.31849999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.36e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-({4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037527
     RDKit          3D
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside]
 79 81  0  0  0  0  0  0  0  0999 V2000
    3.4079    2.3183   -1.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3429    1.3447   -0.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4526    0.7414   -0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6959    1.0644   -0.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8670    0.5332   -0.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0359    0.9804   -1.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3056    2.4310   -1.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1390    0.2411   -1.1325 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4742   -0.2168    0.8989 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9101   -1.5898    0.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4575    0.2815    1.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1499   -0.3592    1.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9827   -0.3396    0.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8378   -0.5728    1.3028 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0424   -1.5805    0.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1736   -1.0297    0.4437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0748   -0.9667    1.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1810   -0.0188    1.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9007   -0.3700    0.0487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9049    0.5689   -0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1113   -0.1121   -0.1257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2092    0.6832   -0.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3675   -0.2572   -0.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6224   -1.1410    0.3236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0228    1.6990   -1.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1902    1.7171   -2.2135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8811    1.3649   -2.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7368    2.4397   -3.2402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6424    1.1672   -1.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7413    0.3974   -2.2824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6428   -2.3621    1.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3522   -2.4910    2.8609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5100   -3.3292    1.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4822   -3.8728    0.2600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1860   -2.6869    1.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7944   -3.6756    1.6716 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0046    1.1025    0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1305    3.1374   -1.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166    1.8348   -2.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    2.8117   -1.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6335    1.7885   -1.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9994   -0.2084    0.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8370    0.8644   -2.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8986    2.5070   -0.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3391    2.9681   -0.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7847    2.9715   -2.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5089    0.6072   -0.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7361   -1.9671    1.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2033   -1.5817   -0.6587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0669   -2.3193    0.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1653   -0.5240    2.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8597    0.4539    2.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0027    1.1703    1.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0873   -1.2126    2.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9851    0.5432    2.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1270   -0.9874   -0.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5204   -2.0040   -0.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004   -0.6198    2.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7677    1.0067    0.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8315    0.1146    2.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8566    1.3419    0.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4720    1.1743    0.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2867    0.3220   -0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0816   -0.8469   -1.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8600   -1.3086    0.9027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8334    2.7024   -0.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9428    2.1514   -1.7434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1576    0.4681   -2.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5807    2.6939   -3.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1509    2.1481   -1.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2111   -0.1839   -2.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3494   -2.5056    0.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1870   -2.9907    2.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6398   -4.1436    2.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0894   -3.2263   -0.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0894   -2.2835    2.8326 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0391   -4.0316    2.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036    1.2455   -0.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8504    1.8142    0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  3  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  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
 21 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 17 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 13 37  1  0
 37  2  1  0
 35 15  1  0
 29 20  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  4 41  1  0
  5 42  1  0
  6 43  1  0
  7 44  1  0
  7 45  1  0
  7 46  1  0
  8 47  1  0
 10 48  1  0
 10 49  1  0
 10 50  1  0
 11 51  1  0
 11 52  1  0
 11 53  1  0
 12 54  1  0
 12 55  1  0
 13 56  1  0
 15 57  1  0
 17 58  1  0
 18 59  1  0
 18 60  1  0
 20 61  1  0
 22 62  1  0
 23 63  1  0
 23 64  1  0
 24 65  1  0
 25 66  1  0
 26 67  1  0
 27 68  1  0
 28 69  1  0
 29 70  1  0
 30 71  1  0
 31 72  1  0
 32 73  1  0
 33 74  1  0
 34 75  1  0
 35 76  1  0
 36 77  1  0
 37 78  1  0
 37 79  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.002  10.780   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.011   8.110   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.991   8.110   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.668   8.470   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.668   6.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -8.002   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.002   9.240   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.001  -2.310   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  -0.770   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       9.336   8.470   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -5.335   0.000   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
CONECT    1   11                                                            
CONECT    2   12                                                            
CONECT    3   25                                                            
CONECT    4   25                                                            
CONECT    5    6   12                                                       
CONECT    6    5   14                                                       
CONECT    7   11   13                                                       
CONECT    8   13   25                                                       
CONECT    9   15   26                                                       
CONECT   10   16   34                                                       
CONECT   11    1    7   14                                                  
CONECT   12    2    5   27                                                  
CONECT   13    7    8   35                                                  
CONECT   14    6   11   25                                                  
CONECT   15    9   17   36                                                  
CONECT   16   10   18   37                                                  
CONECT   17   15   19   28                                                  
CONECT   18   16   20   29                                                  
CONECT   19   17   21   30                                                  
CONECT   20   18   22   31                                                  
CONECT   21   19   23   32                                                  
CONECT   22   20   24   33                                                  
CONECT   23   21   34   36                                                  
CONECT   24   22   35   37                                                  
CONECT   25    3    4    8   14                                             
CONECT   26    9                                                            
CONECT   27   12                                                            
CONECT   28   17                                                            
CONECT   29   18                                                            
CONECT   30   19                                                            
CONECT   31   20                                                            
CONECT   32   21                                                            
CONECT   33   22                                                            
CONECT   34   10   23                                                       
CONECT   35   13   24                                                       
CONECT   36   15   23                                                       
CONECT   37   16   24                                                       
MASTER        0    0    0    0    0    0    0    0   37    0   78    0
END

COMPND    HMDB0037527
HETATM    1  C1  UNL     1       3.408   2.318  -1.697  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.343   1.345  -0.580  1.00  0.00           C  
HETATM    3  C3  UNL     1       4.453   0.741  -0.219  1.00  0.00           C  
HETATM    4  C4  UNL     1       5.696   1.064  -0.947  1.00  0.00           C  
HETATM    5  C5  UNL     1       6.867   0.533  -0.704  1.00  0.00           C  
HETATM    6  C6  UNL     1       8.036   0.980  -1.546  1.00  0.00           C  
HETATM    7  C7  UNL     1       8.306   2.431  -1.177  1.00  0.00           C  
HETATM    8  O1  UNL     1       9.139   0.241  -1.132  1.00  0.00           O  
HETATM    9  C8  UNL     1       4.474  -0.217   0.899  1.00  0.00           C  
HETATM   10  C9  UNL     1       4.910  -1.590   0.410  1.00  0.00           C  
HETATM   11  C10 UNL     1       5.458   0.281   1.961  1.00  0.00           C  
HETATM   12  C11 UNL     1       3.150  -0.359   1.541  1.00  0.00           C  
HETATM   13  C12 UNL     1       1.983  -0.340   0.588  1.00  0.00           C  
HETATM   14  O2  UNL     1       0.838  -0.573   1.303  1.00  0.00           O  
HETATM   15  C13 UNL     1       0.042  -1.581   0.819  1.00  0.00           C  
HETATM   16  O3  UNL     1      -1.174  -1.030   0.444  1.00  0.00           O  
HETATM   17  C14 UNL     1      -2.075  -0.967   1.501  1.00  0.00           C  
HETATM   18  C15 UNL     1      -3.181  -0.019   1.169  1.00  0.00           C  
HETATM   19  O4  UNL     1      -3.901  -0.370   0.049  1.00  0.00           O  
HETATM   20  C16 UNL     1      -4.905   0.569  -0.178  1.00  0.00           C  
HETATM   21  O5  UNL     1      -6.111  -0.112  -0.126  1.00  0.00           O  
HETATM   22  C17 UNL     1      -7.209   0.683  -0.353  1.00  0.00           C  
HETATM   23  C18 UNL     1      -8.367  -0.257  -0.712  1.00  0.00           C  
HETATM   24  O6  UNL     1      -8.622  -1.141   0.324  1.00  0.00           O  
HETATM   25  C19 UNL     1      -7.023   1.699  -1.426  1.00  0.00           C  
HETATM   26  O7  UNL     1      -8.190   1.717  -2.213  1.00  0.00           O  
HETATM   27  C20 UNL     1      -5.881   1.365  -2.345  1.00  0.00           C  
HETATM   28  O8  UNL     1      -5.737   2.440  -3.240  1.00  0.00           O  
HETATM   29  C21 UNL     1      -4.642   1.167  -1.542  1.00  0.00           C  
HETATM   30  O9  UNL     1      -3.741   0.397  -2.282  1.00  0.00           O  
HETATM   31  C22 UNL     1      -2.643  -2.362   1.676  1.00  0.00           C  
HETATM   32  O10 UNL     1      -3.352  -2.491   2.861  1.00  0.00           O  
HETATM   33  C23 UNL     1      -1.510  -3.329   1.542  1.00  0.00           C  
HETATM   34  O11 UNL     1      -1.482  -3.873   0.260  1.00  0.00           O  
HETATM   35  C24 UNL     1      -0.186  -2.687   1.824  1.00  0.00           C  
HETATM   36  O12 UNL     1       0.794  -3.676   1.672  1.00  0.00           O  
HETATM   37  C25 UNL     1       2.005   1.103   0.026  1.00  0.00           C  
HETATM   38  H1  UNL     1       4.131   3.137  -1.495  1.00  0.00           H  
HETATM   39  H2  UNL     1       3.617   1.835  -2.672  1.00  0.00           H  
HETATM   40  H3  UNL     1       2.425   2.812  -1.794  1.00  0.00           H  
HETATM   41  H4  UNL     1       5.633   1.788  -1.734  1.00  0.00           H  
HETATM   42  H5  UNL     1       6.999  -0.208   0.064  1.00  0.00           H  
HETATM   43  H6  UNL     1       7.837   0.864  -2.615  1.00  0.00           H  
HETATM   44  H7  UNL     1       8.899   2.507  -0.242  1.00  0.00           H  
HETATM   45  H8  UNL     1       7.339   2.968  -0.972  1.00  0.00           H  
HETATM   46  H9  UNL     1       8.785   2.972  -2.020  1.00  0.00           H  
HETATM   47  H10 UNL     1       9.509   0.607  -0.282  1.00  0.00           H  
HETATM   48  H11 UNL     1       5.736  -1.967   1.044  1.00  0.00           H  
HETATM   49  H12 UNL     1       5.203  -1.582  -0.659  1.00  0.00           H  
HETATM   50  H13 UNL     1       4.067  -2.319   0.534  1.00  0.00           H  
HETATM   51  H14 UNL     1       6.165  -0.524   2.226  1.00  0.00           H  
HETATM   52  H15 UNL     1       4.860   0.454   2.892  1.00  0.00           H  
HETATM   53  H16 UNL     1       6.003   1.170   1.657  1.00  0.00           H  
HETATM   54  H17 UNL     1       3.087  -1.213   2.256  1.00  0.00           H  
HETATM   55  H18 UNL     1       2.985   0.543   2.210  1.00  0.00           H  
HETATM   56  H19 UNL     1       2.127  -0.987  -0.287  1.00  0.00           H  
HETATM   57  H20 UNL     1       0.520  -2.004  -0.084  1.00  0.00           H  
HETATM   58  H21 UNL     1      -1.600  -0.620   2.442  1.00  0.00           H  
HETATM   59  H22 UNL     1      -2.768   1.007   0.976  1.00  0.00           H  
HETATM   60  H23 UNL     1      -3.832   0.115   2.077  1.00  0.00           H  
HETATM   61  H24 UNL     1      -4.857   1.342   0.598  1.00  0.00           H  
HETATM   62  H25 UNL     1      -7.472   1.174   0.619  1.00  0.00           H  
HETATM   63  H26 UNL     1      -9.287   0.322  -0.887  1.00  0.00           H  
HETATM   64  H27 UNL     1      -8.082  -0.847  -1.618  1.00  0.00           H  
HETATM   65  H28 UNL     1      -7.860  -1.309   0.903  1.00  0.00           H  
HETATM   66  H29 UNL     1      -6.833   2.702  -0.992  1.00  0.00           H  
HETATM   67  H30 UNL     1      -8.943   2.151  -1.743  1.00  0.00           H  
HETATM   68  H31 UNL     1      -6.158   0.468  -2.955  1.00  0.00           H  
HETATM   69  H32 UNL     1      -6.581   2.694  -3.653  1.00  0.00           H  
HETATM   70  H33 UNL     1      -4.151   2.148  -1.382  1.00  0.00           H  
HETATM   71  H34 UNL     1      -4.211  -0.184  -2.930  1.00  0.00           H  
HETATM   72  H35 UNL     1      -3.349  -2.506   0.807  1.00  0.00           H  
HETATM   73  H36 UNL     1      -4.187  -2.991   2.672  1.00  0.00           H  
HETATM   74  H37 UNL     1      -1.640  -4.144   2.312  1.00  0.00           H  
HETATM   75  H38 UNL     1      -1.089  -3.226  -0.350  1.00  0.00           H  
HETATM   76  H39 UNL     1      -0.089  -2.283   2.833  1.00  0.00           H  
HETATM   77  H40 UNL     1       1.039  -4.032   2.553  1.00  0.00           H  
HETATM   78  H41 UNL     1       1.204   1.245  -0.716  1.00  0.00           H  
HETATM   79  H42 UNL     1       1.850   1.814   0.856  1.00  0.00           H  
CONECT    1    2   38   39   40
CONECT    2    3    3   37
CONECT    3    4    9
CONECT    4    5    5   41
CONECT    5    6   42
CONECT    6    7    8   43
CONECT    7   44   45   46
CONECT    8   47
CONECT    9   10   11   12
CONECT   10   48   49   50
CONECT   11   51   52   53
CONECT   12   13   54   55
CONECT   13   14   37   56
CONECT   14   15
CONECT   15   16   35   57
CONECT   16   17
CONECT   17   18   31   58
CONECT   18   19   59   60
CONECT   19   20
CONECT   20   21   29   61
CONECT   21   22
CONECT   22   23   25   62
CONECT   23   24   63   64
CONECT   24   65
CONECT   25   26   27   66
CONECT   26   67
CONECT   27   28   29   68
CONECT   28   69
CONECT   29   30   70
CONECT   30   71
CONECT   31   32   33   72
CONECT   32   73
CONECT   33   34   35   74
CONECT   34   75
CONECT   35   36   76
CONECT   36   77
CONECT   37   78   79
END

HMDB0037527
     RDKit          3D
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside]
 79 81  0  0  0  0  0  0  0  0999 V2000
    3.4079    2.3183   -1.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3429    1.3447   -0.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4526    0.7414   -0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6959    1.0644   -0.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8670    0.5332   -0.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0359    0.9804   -1.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3056    2.4310   -1.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1390    0.2411   -1.1325 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4742   -0.2168    0.8989 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9101   -1.5898    0.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4575    0.2815    1.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1499   -0.3592    1.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9827   -0.3396    0.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8378   -0.5728    1.3028 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0424   -1.5805    0.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1736   -1.0297    0.4437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0748   -0.9667    1.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1810   -0.0188    1.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9007   -0.3700    0.0487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9049    0.5689   -0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1113   -0.1121   -0.1257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2092    0.6832   -0.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3675   -0.2572   -0.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6224   -1.1410    0.3236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0228    1.6990   -1.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1902    1.7171   -2.2135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8811    1.3649   -2.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7368    2.4397   -3.2402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6424    1.1672   -1.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7413    0.3974   -2.2824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6428   -2.3621    1.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3522   -2.4910    2.8609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5100   -3.3292    1.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4822   -3.8728    0.2600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1860   -2.6869    1.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7944   -3.6756    1.6716 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0046    1.1025    0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1305    3.1374   -1.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166    1.8348   -2.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    2.8117   -1.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6335    1.7885   -1.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9994   -0.2084    0.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8370    0.8644   -2.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8986    2.5070   -0.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3391    2.9681   -0.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7847    2.9715   -2.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5089    0.6072   -0.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7361   -1.9671    1.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2033   -1.5817   -0.6587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0669   -2.3193    0.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1653   -0.5240    2.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8597    0.4539    2.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0027    1.1703    1.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0873   -1.2126    2.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9851    0.5432    2.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1270   -0.9874   -0.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5204   -2.0040   -0.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004   -0.6198    2.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7677    1.0067    0.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8315    0.1146    2.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8566    1.3419    0.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4720    1.1743    0.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2867    0.3220   -0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0816   -0.8469   -1.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8600   -1.3086    0.9027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8334    2.7024   -0.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9428    2.1514   -1.7434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1576    0.4681   -2.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5807    2.6939   -3.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1509    2.1481   -1.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2111   -0.1839   -2.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3494   -2.5056    0.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1870   -2.9907    2.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6398   -4.1436    2.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0894   -3.2263   -0.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0894   -2.2835    2.8326 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0391   -4.0316    2.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036    1.2455   -0.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8504    1.8142    0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  3  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  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
 21 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 17 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 13 37  1  0
 37  2  1  0
 35 15  1  0
 29 20  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  4 41  1  0
  5 42  1  0
  6 43  1  0
  7 44  1  0
  7 45  1  0
  7 46  1  0
  8 47  1  0
 10 48  1  0
 10 49  1  0
 10 50  1  0
 11 51  1  0
 11 52  1  0
 11 53  1  0
 12 54  1  0
 12 55  1  0
 13 56  1  0
 15 57  1  0
 17 58  1  0
 18 59  1  0
 18 60  1  0
 20 61  1  0
 22 62  1  0
 23 63  1  0
 23 64  1  0
 24 65  1  0
 25 66  1  0
 26 67  1  0
 27 68  1  0
 28 69  1  0
 29 70  1  0
 30 71  1  0
 31 72  1  0
 32 73  1  0
 33 74  1  0
 34 75  1  0
 35 76  1  0
 36 77  1  0
 37 78  1  0
 37 79  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
3-Hydroxy-b-ionol 3-[glucosyl-(1->6)-glucoside]	Generator
3-Hydroxy-β-ionol 3-[glucosyl-(1->6)-glucoside]	Generator
3-Hydroxy-beta-ionol-glucopyranosyl(1-6)glucopyranoside	MeSH
3-Higgp	HMDB

Chemical Formula

C₂₅H₄₂O₁₂

Average Molecular Weight

534.5938

Monoisotopic Molecular Weight

534.267626808

IUPAC Name

2-({4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

Traditional Name

2-({4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

CAS Registry Number

137606-56-5

SMILES

CC(O)\C=C\C1=C(C)CC(CC1(C)C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C25H42O12/c1-11-7-13(8-25(3,4)14(11)6-5-12(2)27)35-24-22(33)20(31)18(29)16(37-24)10-34-23-21(32)19(30)17(28)15(9-26)36-23/h5-6,12-13,15-24,26-33H,7-10H2,1-4H3/b6-5+

InChI Key

JZJSTNWTRLNQSL-AATRIKPKSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Terpene glycosides

Alternative Parents

Substituents

Terpene glycoside
Sesquiterpenoid
Megastigmane sesquiterpenoid
Cyclofarsesane sesquiterpenoid
Ionone derivative
Disaccharide
Glycosyl compound
O-glycosyl compound
Oxane
Secondary alcohol
Polyol
Acetal
Oxacycle
Organoheterocyclic compound
Organic oxygen compound
Primary alcohol
Organooxygen compound
Alcohol
Hydrocarbon derivative
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cell membrane (HMDB: HMDB0037527)

Cellular substructure

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037527)

Source

Endogenous

Animal

Animal (HMDB: HMDB0037527)

Endogenous (HMDB: HMDB0037527)

Plant

Plant (HMDB: HMDB0037527)

Exogenous

Food

Food (HMDB: HMDB0037527)

Fruit

Fruits (FooDB: FOOD00871)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid peroxidation (HMDB: HMDB0037527)

Biochemical process

Fatty acid metabolism (HMDB: HMDB0037527)

Cellular process

Cell signaling (HMDB: HMDB0037527)

Biochemical pathway

Lipid metabolism pathway (HMDB: HMDB0037527)

Role

Biological role

Membrane stabilizer (HMDB: HMDB0037527)

Nutrient

Nutrient (HMDB: HMDB0037527)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0037527)

Emulsifier (HMDB: HMDB0037527)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	3.36 g/L	ALOGPS
logP	-0.92	ALOGPS
logP	-1.9	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	11.91	ChemAxon
pKa (Strongest Basic)	-1.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	198.76 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	129.32 m³·mol⁻¹	ChemAxon
Polarizability	55.95 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	222.219	31661259
DarkChem	[M-H]-	216.272	31661259
DeepCCS	[M+H]+	222.71	30932474
DeepCCS	[M-H]-	220.352	30932474
DeepCCS	[M-2H]-	253.237	30932474
DeepCCS	[M+Na]+	228.944	30932474
AllCCS	[M+H]+	227.9	32859911
AllCCS	[M+H-H2O]+	226.6	32859911
AllCCS	[M+NH4]+	229.1	32859911
AllCCS	[M+Na]+	229.4	32859911
AllCCS	[M-H]-	217.7	32859911
AllCCS	[M+Na-2H]-	220.0	32859911
AllCCS	[M+HCOO]-	222.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside]	CC(O)\C=C\C1=C(C)CC(CC1(C)C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	4472.8	Standard polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside]	CC(O)\C=C\C1=C(C)CC(CC1(C)C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	4032.3	Standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside]	CC(O)\C=C\C1=C(C)CC(CC1(C)C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	4142.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],1TMS,isomer #1	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C1	4151.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],1TMS,isomer #2	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)C(O)C2O)C1	4092.5	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],1TMS,isomer #3	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)C2O)C1	4086.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],1TMS,isomer #4	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O)C1	4050.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],1TMS,isomer #5	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O)C1	4084.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],1TMS,isomer #6	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O)C1	4098.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],1TMS,isomer #7	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O)C1	4063.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],1TMS,isomer #8	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)C1	4089.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #1	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)C(O)C2O)C1	4065.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #10	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O)C1	4038.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #11	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O)C1	4035.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #12	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O)C1	3987.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #13	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)C1	4029.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #14	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O)C1	4018.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #15	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O)C1	4023.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #16	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O)C1	4050.5	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #17	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O)C1	4000.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #18	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)C1	4046.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #19	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)C1	4031.5	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #2	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)C2O)C1	4074.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #20	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)C1	3994.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #21	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)C1	3943.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #22	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)C1	3989.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #23	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C1	4037.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #24	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C1	3987.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #25	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C1	4033.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #26	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	4030.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #27	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	4023.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #28	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	4022.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #3	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O)C1	4011.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #4	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O)C1	4055.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #5	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O)C1	4082.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #6	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O)C1	4024.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #7	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)C1	4067.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #8	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)C2O)C1	4038.5	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TMS,isomer #9	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O)C1	3987.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #1	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)C2O)C1	3979.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #10	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O)C1	3925.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #11	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)C1	3982.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #12	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)C1	3951.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #13	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)C1	3916.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #14	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)C1	3866.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #15	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)C1	3910.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #16	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C1	3970.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #17	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C1	3903.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #18	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C1	3962.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #19	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3955.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #2	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O)C1	3903.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #20	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3952.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #21	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3952.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #22	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O)C1	3937.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #23	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O)C1	3955.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #24	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O)C1	3969.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #25	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O)C1	3906.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #26	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)C1	3964.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #27	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)C1	3952.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #28	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)C1	3900.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #29	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)C1	3851.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #3	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O)C1	3976.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #30	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)C1	3894.5	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #31	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C1	3969.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #32	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C1	3905.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #33	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C1	3964.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #34	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3934.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #35	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3924.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #36	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3931.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #37	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)C1	3975.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #38	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)C1	3936.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #39	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)C1	3878.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #4	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O)C1	3969.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #40	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)C1	3930.5	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #41	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C1	3940.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #42	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C1	3880.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #43	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C1	3931.5	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #44	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3943.5	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #45	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3932.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #46	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3936.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #47	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C1	3941.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #48	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C1	3883.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #49	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C1	3937.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #5	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O)C1	3903.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #50	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3879.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #51	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3866.5	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #52	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3874.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #53	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3924.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #54	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3913.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #55	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3920.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #56	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3956.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #6	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)C1	3962.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #7	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O)C1	3946.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #8	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O)C1	3952.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TMS,isomer #9	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O)C1	3991.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #1	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O)C1	3846.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #10	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C1	3863.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #11	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C1	3808.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #12	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C1	3849.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #13	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3820.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #14	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3810.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #15	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3815.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #16	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)C1	3856.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #17	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)C1	3829.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #18	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)C1	3780.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #19	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)C1	3813.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #2	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O)C1	3870.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #20	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C1	3833.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #21	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C1	3785.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #22	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C1	3816.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #23	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3839.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #24	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3827.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #25	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3834.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #26	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C1	3833.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #27	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C1	3785.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #28	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C1	3819.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #29	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3785.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #3	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O)C1	3868.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #30	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3772.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #31	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3775.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #32	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3821.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #33	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3810.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #34	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3814.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #35	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3853.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #36	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)C1	3918.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #37	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)C1	3855.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #38	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)C1	3809.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #39	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)C1	3841.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #4	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O)C1	3812.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #40	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C1	3880.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #41	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C1	3827.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #42	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C1	3868.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #43	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3845.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #44	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3840.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #45	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3840.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #46	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C1	3861.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #47	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C1	3812.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #48	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C1	3849.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #49	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3787.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #5	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)C1	3856.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #50	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3777.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #51	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3777.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #52	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3842.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #53	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3835.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #54	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3837.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #55	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3837.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #56	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C1	3861.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #57	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C1	3808.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #58	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C1	3850.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #59	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3809.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #6	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)C1	3856.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #60	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3792.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #61	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3797.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #62	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3808.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #63	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3796.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #64	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3798.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #65	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3848.5	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #66	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3813.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #67	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3795.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #68	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3802.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #69	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3784.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #7	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)C1	3802.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #70	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3830.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #8	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)C1	3755.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],4TMS,isomer #9	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)C1	3784.5	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #1	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)C1	3817.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #10	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3726.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #11	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C1	3752.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #12	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C1	3706.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #13	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C1	3728.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #14	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3672.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #15	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3672.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #16	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3660.5	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #17	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3721.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #18	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3718.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #19	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3711.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #2	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)C1	3748.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #20	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3709.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #21	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C1	3731.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #22	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C1	3675.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #23	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C1	3707.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #24	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3671.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #25	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3666.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #26	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3659.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #27	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3679.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #28	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3676.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #29	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3670.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #3	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)C1	3702.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #30	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3714.5	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #31	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3679.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #32	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3670.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #33	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3666.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #34	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3659.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #35	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3694.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #36	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C1	3839.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #37	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C1	3788.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #38	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C1	3817.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #39	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3747.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #4	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)C1	3722.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #40	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3740.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #41	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3740.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #42	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3784.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #43	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3782.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #44	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3775.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #45	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3760.5	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #46	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3754.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #47	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3743.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #48	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3745.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #49	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3693.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #5	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C1	3790.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #50	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3749.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #51	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3732.5	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #52	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3718.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #53	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3721.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #54	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3708.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #55	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3710.5	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #56	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1	3712.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #6	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C1	3746.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #7	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C1	3764.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #8	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1	3737.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],5TMS,isomer #9	CC1=C(/C=C/C(C)O[Si](C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1	3733.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],1TBDMS,isomer #1	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C1	4371.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],1TBDMS,isomer #2	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(O)C(O)C2O)C1	4288.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],1TBDMS,isomer #3	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)C2O)C1	4305.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],1TBDMS,isomer #4	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)C1	4265.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],1TBDMS,isomer #5	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C1	4295.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],1TBDMS,isomer #6	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1	4313.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],1TBDMS,isomer #7	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1	4284.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],1TBDMS,isomer #8	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1	4303.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #1	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(O)C(O)C2O)C1	4457.5	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #10	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C1	4384.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #11	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1	4392.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #12	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1	4359.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #13	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1	4372.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #14	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)C1	4392.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #15	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C1	4396.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #16	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1	4425.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #17	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1	4386.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #18	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1	4407.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #19	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C1	4408.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #2	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)C2O)C1	4476.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #20	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1	4372.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #21	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1	4342.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #22	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1	4354.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #23	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1	4400.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #24	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1	4357.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #25	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1	4387.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #26	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C1	4418.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #27	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C1	4412.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #28	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1	4418.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #3	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)C1	4425.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #4	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C1	4451.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #5	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1	4485.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #6	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1	4447.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #7	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1	4469.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #8	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)C2O)C1	4394.5	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],2TBDMS,isomer #9	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)C1	4362.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #1	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)C2O)C1	4519.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #10	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1	4532.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #11	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1	4555.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #12	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C1	4543.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #13	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1	4521.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #14	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1	4493.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #15	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1	4506.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #16	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1	4540.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #17	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1	4502.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #18	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1	4528.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #19	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C1	4559.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #2	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)C1	4480.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #20	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C1	4547.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #21	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1	4555.5	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #22	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)C1	4484.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #23	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C1	4492.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #24	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1	4492.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #25	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1	4460.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #26	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1	4469.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #27	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C1	4490.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #28	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1	4455.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #29	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1	4430.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #3	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C1	4503.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #30	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1	4431.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #31	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1	4476.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #32	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1	4444.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #33	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1	4451.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #34	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C1	4466.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #35	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C1	4454.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #36	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1	4461.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #37	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C1	4529.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #38	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1	4501.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #39	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1	4475.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #4	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1	4509.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #40	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1	4480.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #41	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1	4502.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #42	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1	4474.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #43	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1	4480.4	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #44	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C1	4523.9	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #45	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C1	4508.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #46	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1	4516.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #47	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1	4512.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #48	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1	4482.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #49	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1	4493.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #5	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1	4474.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #50	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C1	4483.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #51	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C1	4468.0	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #52	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1	4475.1	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #53	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C1	4490.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #54	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C1	4475.3	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #55	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1	4484.6	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #56	CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1	4539.2	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #6	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1	4489.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #7	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)C1	4528.8	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #8	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C1	4533.7	Semi standard non polar	33892256
3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside],3TBDMS,isomer #9	CC1=C(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1	4568.7	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (Non-derivatized) - 70eV, Positive	splash10-014i-3612290000-19b7df545deaa42e8c3c	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (2 TMS) - 70eV, Positive	splash10-03di-1232109000-0564e05036727d146b74	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] 10V, Positive-QTOF	splash10-0296-0922260000-3c62341c7c582b137eff	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] 20V, Positive-QTOF	splash10-01ox-0922000000-f2ec734d470dba29d27d	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] 40V, Positive-QTOF	splash10-03dl-0910000000-d27edb70630ad8b03406	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] 10V, Negative-QTOF	splash10-053u-2963180000-54e93d6818982df71adc	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] 20V, Negative-QTOF	splash10-0a4l-2951010000-2afe07218fe6aa136c04	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] 40V, Negative-QTOF	splash10-0a4l-5980000000-07e779c165388c59ec80	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] 10V, Positive-QTOF	splash10-004i-0504940000-4ef01c17d742c1ac791c	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] 20V, Positive-QTOF	splash10-009i-0900000000-2497122b54b5d6d9b087	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] 40V, Positive-QTOF	splash10-0592-3900000000-500cf39e245b8da47122	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] 10V, Negative-QTOF	splash10-001i-0100190000-0adf4327c89a1e1803f2	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] 20V, Negative-QTOF	splash10-05ac-9825850000-c432d702630c42289068	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] 40V, Negative-QTOF	splash10-0a4i-9255100000-8534758f3d42b39ea50a	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Membrane

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

FDB016608

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131752203

PDB ID

Not Available

ChEBI ID

138797

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for 3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside] (HMDB0037527)

MOL for HMDB0037527 (3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside])

3D MOL for HMDB0037527 (3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside])

3D SDF for HMDB0037527 (3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside])

3D-SDF for HMDB0037527 (3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside])

PDB for HMDB0037527 (3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside])

3D PDB for HMDB0037527 (3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside])

SMILES for HMDB0037527 (3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside])

INCHI for HMDB0037527 (3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside])

Structure for HMDB0037527 (3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside])

3D Structure for HMDB0037527 (3-Hydroxy-beta-ionol 3-[glucosyl-(1->6)-glucoside])

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra