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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:01:35 UTC

Update Date

2022-03-07 02:55:52 UTC

HMDB ID

HMDB0038691

Secondary Accession Numbers

HMDB38691

Metabolite Identification

Common Name

Kiwiionoside

Description

Kiwiionoside 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 significant number of articles have been published on Kiwiionoside.

Structure

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

  Mrv0541 05061310352D          

 28 29  0  0  0  0            999 V2000
   -0.7603    5.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1468    1.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6165    2.6183    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
    0.3343    4.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1468    4.0752    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
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0521    4.9938    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
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    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
    2.1434    3.7125    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
    7.1447    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5824    5.6257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    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
    3.5724    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737    4.3445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6165    3.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  2  0  0  0  0
 10  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17  2  1  0  0  0  0
 17  3  1  0  0  0  0
 17  7  1  0  0  0  0
 18  4  1  0  0  0  0
 18  8  1  0  0  0  0
 19  6  1  0  0  0  0
 19 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20  9  1  0  0  0  0
 21 10  1  0  0  0  0
 22 13  1  0  0  0  0
 23 14  1  0  0  0  0
 24 15  1  0  0  0  0
 25 18  1  0  0  0  0
 26 19  1  0  0  0  0
 27 11  1  0  0  0  0
 27 16  1  0  0  0  0
 28 12  1  0  0  0  0
 28 16  1  0  0  0  0
M  END

HMDB0038691
     RDKit          3D
Kiwiionoside
 62 63  0  0  0  0  0  0  0  0999 V2000
    6.6114   -0.4256    0.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9262    0.1576   -0.6953 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9470   -0.7545   -1.7459 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5254    0.4734   -0.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4972   -0.3289   -0.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1131   -0.0266   -0.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0594    0.6182    1.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2972   -1.2785    0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1096   -2.1800    0.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0796   -2.0688   -1.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0588   -0.8839    0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5440    0.4094    0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9164    0.2319    0.3005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6334    1.0522    1.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4140    1.9030    0.4071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5780    1.4372   -0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4759    0.9340   -1.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5881   -0.1137   -1.6954 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3156    0.4140    0.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1613   -0.2964   -0.1724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4445   -0.5252    1.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2621   -1.1495    2.4158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4200    0.3441    2.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1395    1.2825    2.9077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0481    0.9393   -0.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4334    0.9392   -1.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8761    0.6699   -2.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9683    2.2096   -0.8011 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2078   -1.3263    0.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3224    0.2928    0.9832 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9086   -0.7258    1.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4533    1.1000   -0.9468 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8494   -1.6738   -1.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    1.4141    0.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7139   -1.2569   -1.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8807    0.3926    1.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6710   -3.1798    0.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0892   -1.7681    2.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1650   -2.2618    0.6397 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9144   -3.1444   -0.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1797   -1.8001   -1.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0005   -2.0781   -1.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6567   -1.7406    0.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3397   -0.7849    1.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3667    1.2274    1.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8775    1.6935    1.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2715    2.3317   -0.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1946    1.7316   -2.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4737    0.5667   -1.8560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9655   -0.8936   -2.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9764    0.9281    1.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0985   -0.0781   -0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9682   -1.3062    0.8546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3229   -0.5123    3.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8328   -0.2850    2.8491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1662    2.1715    2.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3805    2.0208   -1.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5728    0.4770   -1.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2452   -0.0651   -3.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9422    0.4447   -2.5684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7377    1.6377   -3.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5760    2.4672    0.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 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
 16 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 12 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 26  6  1  0
 23 14  1  0
  1 29  1  0
  1 30  1  0
  1 31  1  0
  2 32  1  0
  3 33  1  0
  4 34  1  0
  5 35  1  0
  7 36  1  0
  9 37  1  0
  9 38  1  0
  9 39  1  0
 10 40  1  0
 10 41  1  0
 10 42  1  0
 11 43  1  0
 11 44  1  0
 12 45  1  0
 14 46  1  0
 16 47  1  0
 17 48  1  0
 17 49  1  0
 18 50  1  0
 19 51  1  0
 20 52  1  0
 21 53  1  0
 22 54  1  0
 23 55  1  0
 24 56  1  0
 25 57  1  0
 25 58  1  0
 27 59  1  0
 27 60  1  0
 27 61  1  0
 28 62  1  0
M  END

  Mrv0541 05061310352D          

 28 29  0  0  0  0            999 V2000
   -0.7603    5.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1468    1.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6165    2.6183    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
    0.3343    4.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1468    4.0752    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
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0521    4.9938    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
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    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
    2.1434    3.7125    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
    7.1447    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5824    5.6257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    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
    3.5724    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737    4.3445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6165    3.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  2  0  0  0  0
 10  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17  2  1  0  0  0  0
 17  3  1  0  0  0  0
 17  7  1  0  0  0  0
 18  4  1  0  0  0  0
 18  8  1  0  0  0  0
 19  6  1  0  0  0  0
 19 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20  9  1  0  0  0  0
 21 10  1  0  0  0  0
 22 13  1  0  0  0  0
 23 14  1  0  0  0  0
 24 15  1  0  0  0  0
 25 18  1  0  0  0  0
 26 19  1  0  0  0  0
 27 11  1  0  0  0  0
 27 16  1  0  0  0  0
 28 12  1  0  0  0  0
 28 16  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038691

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C19H34O9/c1-10(21)5-6-19(26)17(2,3)7-11(8-18(19,4)25)27-16-15(24)14(23)13(22)12(9-20)28-16/h5-6,10-16,20-26H,7-9H2,1-4H3/b6-5+

> <INCHI_KEY>
SGUOENJPMRQEMJ-AATRIKPKSA-N

> <FORMULA>
C19H34O9

> <MOLECULAR_WEIGHT>
406.4679

> <EXACT_MASS>
406.220282686

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
42.28888981786151

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-1.00

> <JCHEM_LOGP>
-1.8235505783333337

> <ALOGPS_LOGS>
-1.87

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.80869252556036

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.13176136601138

> <JCHEM_PKA_STRONGEST_BASIC>
-2.6683503751237287

> <JCHEM_POLAR_SURFACE_AREA>
160.07

> <JCHEM_REFRACTIVITY>
99.10340000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.47e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0038691
     RDKit          3D
Kiwiionoside
 62 63  0  0  0  0  0  0  0  0999 V2000
    6.6114   -0.4256    0.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9262    0.1576   -0.6953 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9470   -0.7545   -1.7459 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5254    0.4734   -0.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4972   -0.3289   -0.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1131   -0.0266   -0.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0594    0.6182    1.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2972   -1.2785    0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1096   -2.1800    0.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0796   -2.0688   -1.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0588   -0.8839    0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5440    0.4094    0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9164    0.2319    0.3005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6334    1.0522    1.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4140    1.9030    0.4071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5780    1.4372   -0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4759    0.9340   -1.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5881   -0.1137   -1.6954 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3156    0.4140    0.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1613   -0.2964   -0.1724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4445   -0.5252    1.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2621   -1.1495    2.4158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4200    0.3441    2.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1395    1.2825    2.9077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0481    0.9393   -0.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4334    0.9392   -1.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8761    0.6699   -2.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9683    2.2096   -0.8011 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2078   -1.3263    0.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3224    0.2928    0.9832 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9086   -0.7258    1.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4533    1.1000   -0.9468 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8494   -1.6738   -1.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    1.4141    0.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7139   -1.2569   -1.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8807    0.3926    1.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6710   -3.1798    0.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0892   -1.7681    2.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1650   -2.2618    0.6397 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9144   -3.1444   -0.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1797   -1.8001   -1.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0005   -2.0781   -1.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6567   -1.7406    0.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3397   -0.7849    1.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3667    1.2274    1.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8775    1.6935    1.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2715    2.3317   -0.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1946    1.7316   -2.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4737    0.5667   -1.8560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9655   -0.8936   -2.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9764    0.9281    1.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0985   -0.0781   -0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9682   -1.3062    0.8546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3229   -0.5123    3.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8328   -0.2850    2.8491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1662    2.1715    2.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3805    2.0208   -1.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5728    0.4770   -1.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2452   -0.0651   -3.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9422    0.4447   -2.5684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7377    1.6377   -3.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5760    2.4672    0.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 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
 16 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 12 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 26  6  1  0
 23 14  1  0
  1 29  1  0
  1 30  1  0
  1 31  1  0
  2 32  1  0
  3 33  1  0
  4 34  1  0
  5 35  1  0
  7 36  1  0
  9 37  1  0
  9 38  1  0
  9 39  1  0
 10 40  1  0
 10 41  1  0
 10 42  1  0
 11 43  1  0
 11 44  1  0
 12 45  1  0
 14 46  1  0
 16 47  1  0
 17 48  1  0
 17 49  1  0
 18 50  1  0
 19 51  1  0
 20 52  1  0
 21 53  1  0
 22 54  1  0
 23 55  1  0
 24 56  1  0
 25 57  1  0
 25 58  1  0
 27 59  1  0
 27 60  1  0
 27 61  1  0
 28 62  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      -1.419   9.589   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.141   3.173   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.151   4.887   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.011   8.110   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.624   7.875   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.141   7.607   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       5.335   6.160   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.003   3.850   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.097   9.322   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      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.669   6.160   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.336   6.930   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.002   6.160   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      13.337   4.620   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       1.087  10.501   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      12.003   6.930   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       9.336   8.470   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       6.668   6.930   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       4.991   8.110   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       1.151   5.893   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       9.336   3.850   0.000  0.00  0.00           O+0
CONECT    1   10                                                            
CONECT    2   17                                                            
CONECT    3   17                                                            
CONECT    4   18                                                            
CONECT    5    6   10                                                       
CONECT    6    5   19                                                       
CONECT    7   11   17                                                       
CONECT    8   11   18                                                       
CONECT    9   12   20                                                       
CONECT   10    1    5   21                                                  
CONECT   11    7    8   27                                                  
CONECT   12    9   13   28                                                  
CONECT   13   12   14   22                                                  
CONECT   14   13   15   23                                                  
CONECT   15   14   16   24                                                  
CONECT   16   15   27   28                                                  
CONECT   17    2    3    7   19                                             
CONECT   18    4    8   19   25                                             
CONECT   19    6   17   18   26                                             
CONECT   20    9                                                            
CONECT   21   10                                                            
CONECT   22   13                                                            
CONECT   23   14                                                            
CONECT   24   15                                                            
CONECT   25   18                                                            
CONECT   26   19                                                            
CONECT   27   11   16                                                       
CONECT   28   12   16                                                       
MASTER        0    0    0    0    0    0    0    0   28    0   58    0
END

COMPND    HMDB0038691
HETATM    1  C1  UNL     1       6.611  -0.426   0.522  1.00  0.00           C  
HETATM    2  C2  UNL     1       5.926   0.158  -0.695  1.00  0.00           C  
HETATM    3  O1  UNL     1       5.947  -0.754  -1.746  1.00  0.00           O  
HETATM    4  C3  UNL     1       4.525   0.473  -0.294  1.00  0.00           C  
HETATM    5  C4  UNL     1       3.497  -0.329  -0.536  1.00  0.00           C  
HETATM    6  C5  UNL     1       2.113  -0.027  -0.145  1.00  0.00           C  
HETATM    7  O2  UNL     1       2.059   0.618   1.117  1.00  0.00           O  
HETATM    8  C6  UNL     1       1.297  -1.279   0.040  1.00  0.00           C  
HETATM    9  C7  UNL     1       2.110  -2.180   0.982  1.00  0.00           C  
HETATM   10  C8  UNL     1       1.080  -2.069  -1.193  1.00  0.00           C  
HETATM   11  C9  UNL     1       0.059  -0.884   0.773  1.00  0.00           C  
HETATM   12  C10 UNL     1      -0.544   0.409   0.353  1.00  0.00           C  
HETATM   13  O3  UNL     1      -1.916   0.232   0.300  1.00  0.00           O  
HETATM   14  C11 UNL     1      -2.633   1.052   1.130  1.00  0.00           C  
HETATM   15  O4  UNL     1      -3.414   1.903   0.407  1.00  0.00           O  
HETATM   16  C12 UNL     1      -4.578   1.437  -0.113  1.00  0.00           C  
HETATM   17  C13 UNL     1      -4.476   0.934  -1.538  1.00  0.00           C  
HETATM   18  O5  UNL     1      -3.588  -0.114  -1.695  1.00  0.00           O  
HETATM   19  C14 UNL     1      -5.316   0.414   0.681  1.00  0.00           C  
HETATM   20  O6  UNL     1      -6.161  -0.296  -0.172  1.00  0.00           O  
HETATM   21  C15 UNL     1      -4.445  -0.525   1.460  1.00  0.00           C  
HETATM   22  O7  UNL     1      -5.262  -1.150   2.416  1.00  0.00           O  
HETATM   23  C16 UNL     1      -3.420   0.344   2.181  1.00  0.00           C  
HETATM   24  O8  UNL     1      -4.140   1.283   2.908  1.00  0.00           O  
HETATM   25  C17 UNL     1      -0.048   0.939  -0.963  1.00  0.00           C  
HETATM   26  C18 UNL     1       1.433   0.939  -1.104  1.00  0.00           C  
HETATM   27  C19 UNL     1       1.876   0.670  -2.548  1.00  0.00           C  
HETATM   28  O9  UNL     1       1.968   2.210  -0.801  1.00  0.00           O  
HETATM   29  H1  UNL     1       7.208  -1.326   0.262  1.00  0.00           H  
HETATM   30  H2  UNL     1       7.322   0.293   0.983  1.00  0.00           H  
HETATM   31  H3  UNL     1       5.909  -0.726   1.308  1.00  0.00           H  
HETATM   32  H4  UNL     1       6.453   1.100  -0.947  1.00  0.00           H  
HETATM   33  H5  UNL     1       5.849  -1.674  -1.430  1.00  0.00           H  
HETATM   34  H6  UNL     1       4.366   1.414   0.221  1.00  0.00           H  
HETATM   35  H7  UNL     1       3.714  -1.257  -1.054  1.00  0.00           H  
HETATM   36  H8  UNL     1       2.881   0.393   1.644  1.00  0.00           H  
HETATM   37  H9  UNL     1       1.671  -3.180   0.894  1.00  0.00           H  
HETATM   38  H10 UNL     1       2.089  -1.768   2.011  1.00  0.00           H  
HETATM   39  H11 UNL     1       3.165  -2.262   0.640  1.00  0.00           H  
HETATM   40  H12 UNL     1       0.914  -3.144  -0.886  1.00  0.00           H  
HETATM   41  H13 UNL     1       0.180  -1.800  -1.774  1.00  0.00           H  
HETATM   42  H14 UNL     1       2.000  -2.078  -1.793  1.00  0.00           H  
HETATM   43  H15 UNL     1      -0.657  -1.741   0.746  1.00  0.00           H  
HETATM   44  H16 UNL     1       0.340  -0.785   1.856  1.00  0.00           H  
HETATM   45  H17 UNL     1      -0.367   1.227   1.106  1.00  0.00           H  
HETATM   46  H18 UNL     1      -1.877   1.693   1.669  1.00  0.00           H  
HETATM   47  H19 UNL     1      -5.271   2.332  -0.184  1.00  0.00           H  
HETATM   48  H20 UNL     1      -4.195   1.732  -2.250  1.00  0.00           H  
HETATM   49  H21 UNL     1      -5.474   0.567  -1.856  1.00  0.00           H  
HETATM   50  H22 UNL     1      -3.966  -0.894  -2.171  1.00  0.00           H  
HETATM   51  H23 UNL     1      -5.976   0.928   1.426  1.00  0.00           H  
HETATM   52  H24 UNL     1      -7.098  -0.078  -0.032  1.00  0.00           H  
HETATM   53  H25 UNL     1      -3.968  -1.306   0.855  1.00  0.00           H  
HETATM   54  H26 UNL     1      -5.323  -0.512   3.171  1.00  0.00           H  
HETATM   55  H27 UNL     1      -2.833  -0.285   2.849  1.00  0.00           H  
HETATM   56  H28 UNL     1      -4.166   2.171   2.474  1.00  0.00           H  
HETATM   57  H29 UNL     1      -0.380   2.021  -1.006  1.00  0.00           H  
HETATM   58  H30 UNL     1      -0.573   0.477  -1.841  1.00  0.00           H  
HETATM   59  H31 UNL     1       1.245  -0.065  -3.044  1.00  0.00           H  
HETATM   60  H32 UNL     1       2.942   0.445  -2.568  1.00  0.00           H  
HETATM   61  H33 UNL     1       1.738   1.638  -3.091  1.00  0.00           H  
HETATM   62  H34 UNL     1       1.576   2.467   0.086  1.00  0.00           H  
CONECT    1    2   29   30   31
CONECT    2    3    4   32
CONECT    3   33
CONECT    4    5    5   34
CONECT    5    6   35
CONECT    6    7    8   26
CONECT    7   36
CONECT    8    9   10   11
CONECT    9   37   38   39
CONECT   10   40   41   42
CONECT   11   12   43   44
CONECT   12   13   25   45
CONECT   13   14
CONECT   14   15   23   46
CONECT   15   16
CONECT   16   17   19   47
CONECT   17   18   48   49
CONECT   18   50
CONECT   19   20   21   51
CONECT   20   52
CONECT   21   22   23   53
CONECT   22   54
CONECT   23   24   55
CONECT   24   56
CONECT   25   26   57   58
CONECT   26   27   28
CONECT   27   59   60   61
CONECT   28   62
END

HMDB0038691
     RDKit          3D
Kiwiionoside
 62 63  0  0  0  0  0  0  0  0999 V2000
    6.6114   -0.4256    0.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9262    0.1576   -0.6953 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9470   -0.7545   -1.7459 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5254    0.4734   -0.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4972   -0.3289   -0.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1131   -0.0266   -0.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0594    0.6182    1.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2972   -1.2785    0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1096   -2.1800    0.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0796   -2.0688   -1.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0588   -0.8839    0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5440    0.4094    0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9164    0.2319    0.3005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6334    1.0522    1.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4140    1.9030    0.4071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5780    1.4372   -0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4759    0.9340   -1.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5881   -0.1137   -1.6954 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3156    0.4140    0.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1613   -0.2964   -0.1724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4445   -0.5252    1.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2621   -1.1495    2.4158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4200    0.3441    2.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1395    1.2825    2.9077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0481    0.9393   -0.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4334    0.9392   -1.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8761    0.6699   -2.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9683    2.2096   -0.8011 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2078   -1.3263    0.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3224    0.2928    0.9832 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9086   -0.7258    1.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4533    1.1000   -0.9468 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8494   -1.6738   -1.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    1.4141    0.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7139   -1.2569   -1.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8807    0.3926    1.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6710   -3.1798    0.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0892   -1.7681    2.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1650   -2.2618    0.6397 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9144   -3.1444   -0.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1797   -1.8001   -1.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0005   -2.0781   -1.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6567   -1.7406    0.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3397   -0.7849    1.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3667    1.2274    1.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8775    1.6935    1.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2715    2.3317   -0.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1946    1.7316   -2.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4737    0.5667   -1.8560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9655   -0.8936   -2.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9764    0.9281    1.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0985   -0.0781   -0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9682   -1.3062    0.8546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3229   -0.5123    3.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8328   -0.2850    2.8491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1662    2.1715    2.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3805    2.0208   -1.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5728    0.4770   -1.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2452   -0.0651   -3.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9422    0.4447   -2.5684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7377    1.6377   -3.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5760    2.4672    0.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 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
 16 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 12 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 26  6  1  0
 23 14  1  0
  1 29  1  0
  1 30  1  0
  1 31  1  0
  2 32  1  0
  3 33  1  0
  4 34  1  0
  5 35  1  0
  7 36  1  0
  9 37  1  0
  9 38  1  0
  9 39  1  0
 10 40  1  0
 10 41  1  0
 10 42  1  0
 11 43  1  0
 11 44  1  0
 12 45  1  0
 14 46  1  0
 16 47  1  0
 17 48  1  0
 17 49  1  0
 18 50  1  0
 19 51  1  0
 20 52  1  0
 21 53  1  0
 22 54  1  0
 23 55  1  0
 24 56  1  0
 25 57  1  0
 25 58  1  0
 27 59  1  0
 27 60  1  0
 27 61  1  0
 28 62  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Stratioside II	HMDB

Chemical Formula

C₁₉H₃₄O₉

Average Molecular Weight

406.4679

Monoisotopic Molecular Weight

406.220282686

IUPAC Name

2-({3,4-dihydroxy-4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohexyl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

2-({3,4-dihydroxy-4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohexyl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

141897-12-3

SMILES

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

InChI Identifier

InChI=1S/C19H34O9/c1-10(21)5-6-19(26)17(2,3)7-11(8-18(19,4)25)27-16-15(24)14(23)13(22)12(9-20)28-16/h5-6,10-16,20-26H,7-9H2,1-4H3/b6-5+

InChI Key

SGUOENJPMRQEMJ-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
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Cyclohexanol
Cyclitol or derivatives
Monosaccharide
Oxane
Tertiary alcohol
Cyclic alcohol
Secondary alcohol
Acetal
Organoheterocyclic compound
Oxacycle
Polyol
Organooxygen compound
Alcohol
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Route of exposure

Enteral

Ingestion (HMDB: HMDB0038691)

Source

Endogenous

Endogenous (HMDB: HMDB0038691)

Plant

Plant (HMDB: HMDB0038691)

Animal

Animal (HMDB: HMDB0038691)

Exogenous

Food

Food (HMDB: HMDB0038691)

Fruit

Fruits (FooDB: FOOD00871)

Exogenous (HMDB: HMDB0038691)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0038691)

Biochemical pathway

Metabolic pathway

Fatty Acid Metabolism (HMDB: HMDB0038691)

Lipid metabolism pathway (HMDB: HMDB0038691)

Cellular process

Cell signaling (HMDB: HMDB0038691)

Biochemical process

Lipid transport (HMDB: HMDB0038691)

Role

Biological role

Energy source (HMDB: HMDB0038691)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0038691)

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	98630 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	5.47 g/L	ALOGPS
logP	-1	ALOGPS
logP	-1.8	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	12.13	ChemAxon
pKa (Strongest Basic)	-2.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	160.07 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	99.1 m³·mol⁻¹	ChemAxon
Polarizability	42.29 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	197.868	31661259
DarkChem	[M-H]-	191.13	31661259
DeepCCS	[M+H]+	195.7	30932474
DeepCCS	[M-H]-	193.342	30932474
DeepCCS	[M-2H]-	227.267	30932474
DeepCCS	[M+Na]+	202.495	30932474
AllCCS	[M+H]+	199.5	32859911
AllCCS	[M+H-H2O]+	197.2	32859911
AllCCS	[M+NH4]+	201.6	32859911
AllCCS	[M+Na]+	202.2	32859911
AllCCS	[M-H]-	196.4	32859911
AllCCS	[M+Na-2H]-	197.4	32859911
AllCCS	[M+HCOO]-	198.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Kiwiionoside	CC(O)\C=C\C1(O)C(C)(C)CC(CC1(C)O)OC1OC(CO)C(O)C(O)C1O	3644.2	Standard polar	33892256
Kiwiionoside	CC(O)\C=C\C1(O)C(C)(C)CC(CC1(C)O)OC1OC(CO)C(O)C(O)C1O	3105.8	Standard non polar	33892256
Kiwiionoside	CC(O)\C=C\C1(O)C(C)(C)CC(CC1(C)O)OC1OC(CO)C(O)C(O)C1O	3201.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Kiwiionoside,1TMS,isomer #1	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O)O[Si](C)(C)C	3335.2	Semi standard non polar	33892256
Kiwiionoside,1TMS,isomer #2	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O	3292.9	Semi standard non polar	33892256
Kiwiionoside,1TMS,isomer #3	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C	3279.5	Semi standard non polar	33892256
Kiwiionoside,1TMS,isomer #4	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CC1(C)O	3272.4	Semi standard non polar	33892256
Kiwiionoside,1TMS,isomer #5	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O	3278.8	Semi standard non polar	33892256
Kiwiionoside,1TMS,isomer #6	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O	3264.0	Semi standard non polar	33892256
Kiwiionoside,1TMS,isomer #7	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O	3256.7	Semi standard non polar	33892256
Kiwiionoside,2TMS,isomer #1	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O)O[Si](C)(C)C	3289.4	Semi standard non polar	33892256
Kiwiionoside,2TMS,isomer #10	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O	3190.5	Semi standard non polar	33892256
Kiwiionoside,2TMS,isomer #11	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C	3253.8	Semi standard non polar	33892256
Kiwiionoside,2TMS,isomer #12	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C	3179.8	Semi standard non polar	33892256
Kiwiionoside,2TMS,isomer #13	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C	3186.3	Semi standard non polar	33892256
Kiwiionoside,2TMS,isomer #14	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C	3156.7	Semi standard non polar	33892256
Kiwiionoside,2TMS,isomer #15	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C	3162.9	Semi standard non polar	33892256
Kiwiionoside,2TMS,isomer #16	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O	3182.4	Semi standard non polar	33892256
Kiwiionoside,2TMS,isomer #17	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O	3165.6	Semi standard non polar	33892256
Kiwiionoside,2TMS,isomer #18	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O	3165.7	Semi standard non polar	33892256
Kiwiionoside,2TMS,isomer #19	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O	3188.7	Semi standard non polar	33892256
Kiwiionoside,2TMS,isomer #2	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CC1(C)O)O[Si](C)(C)C	3234.6	Semi standard non polar	33892256
Kiwiionoside,2TMS,isomer #20	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O	3175.5	Semi standard non polar	33892256
Kiwiionoside,2TMS,isomer #21	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O	3186.3	Semi standard non polar	33892256
Kiwiionoside,2TMS,isomer #3	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O)O[Si](C)(C)C	3249.1	Semi standard non polar	33892256
Kiwiionoside,2TMS,isomer #4	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C	3224.7	Semi standard non polar	33892256
Kiwiionoside,2TMS,isomer #5	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C	3217.3	Semi standard non polar	33892256
Kiwiionoside,2TMS,isomer #6	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	3236.7	Semi standard non polar	33892256
Kiwiionoside,2TMS,isomer #7	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CC1(C)O	3208.0	Semi standard non polar	33892256
Kiwiionoside,2TMS,isomer #8	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O	3215.0	Semi standard non polar	33892256
Kiwiionoside,2TMS,isomer #9	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O	3171.5	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #1	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CC1(C)O)O[Si](C)(C)C	3172.9	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #10	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C	3131.0	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #11	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C	3113.7	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #12	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	3140.0	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #13	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C	3123.9	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #14	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	3109.7	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #15	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	3117.7	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #16	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O	3124.1	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #17	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O	3097.2	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #18	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O	3118.3	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #19	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C	3142.9	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #2	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O)O[Si](C)(C)C	3185.6	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #20	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O	3119.2	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #21	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O	3111.4	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #22	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C	3156.1	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #23	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O	3117.4	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #24	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C	3110.7	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #25	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C	3134.9	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #26	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C	3090.2	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #27	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C	3070.7	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #28	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C	3078.0	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #29	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C	3087.5	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #3	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C	3152.2	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #30	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C	3078.6	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #31	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C	3082.2	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #32	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O	3099.0	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #33	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O	3083.6	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #34	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O	3086.9	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #35	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O	3110.4	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #4	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C	3164.3	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #5	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	3213.6	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #6	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O)O[Si](C)(C)C	3131.0	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #7	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C	3104.7	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #8	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C	3120.2	Semi standard non polar	33892256
Kiwiionoside,3TMS,isomer #9	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	3125.2	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #1	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O)O[Si](C)(C)C	3073.2	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #10	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	3077.7	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #11	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C	3048.2	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #12	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C	3035.3	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #13	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	3037.8	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #14	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C	3031.9	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #15	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	3008.9	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #16	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	3017.5	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #17	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C	3051.3	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #18	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	3023.6	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #19	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	3026.3	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #2	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C	3037.8	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #20	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	3010.9	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #21	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O	3050.2	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #22	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O	3044.6	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #23	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C	3048.2	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #24	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O	3032.0	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #25	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C	3020.8	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #26	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C	3029.1	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #27	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O	3059.3	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #28	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C	3042.2	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #29	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C	3046.0	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #3	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C	3057.7	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #30	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C	3031.4	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #31	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C	3036.0	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #32	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C	3017.4	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #33	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C	3012.2	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #34	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C	3033.1	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #35	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O	3061.6	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #4	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	3087.2	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #5	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C	3066.1	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #6	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C	3072.8	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #7	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	3107.3	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #8	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C	3054.4	Semi standard non polar	33892256
Kiwiionoside,4TMS,isomer #9	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	3059.1	Semi standard non polar	33892256
Kiwiionoside,5TMS,isomer #1	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C	2990.2	Semi standard non polar	33892256
Kiwiionoside,5TMS,isomer #10	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	2966.8	Semi standard non polar	33892256
Kiwiionoside,5TMS,isomer #11	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C	3022.1	Semi standard non polar	33892256
Kiwiionoside,5TMS,isomer #12	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	2988.4	Semi standard non polar	33892256
Kiwiionoside,5TMS,isomer #13	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	2981.0	Semi standard non polar	33892256
Kiwiionoside,5TMS,isomer #14	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	2977.3	Semi standard non polar	33892256
Kiwiionoside,5TMS,isomer #15	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	2964.6	Semi standard non polar	33892256
Kiwiionoside,5TMS,isomer #16	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O	3012.0	Semi standard non polar	33892256
Kiwiionoside,5TMS,isomer #17	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C	2990.9	Semi standard non polar	33892256
Kiwiionoside,5TMS,isomer #18	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C	2985.9	Semi standard non polar	33892256
Kiwiionoside,5TMS,isomer #19	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C	2972.6	Semi standard non polar	33892256
Kiwiionoside,5TMS,isomer #2	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C	2986.3	Semi standard non polar	33892256
Kiwiionoside,5TMS,isomer #20	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C	2970.7	Semi standard non polar	33892256
Kiwiionoside,5TMS,isomer #21	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C	3010.1	Semi standard non polar	33892256
Kiwiionoside,5TMS,isomer #3	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	3012.0	Semi standard non polar	33892256
Kiwiionoside,5TMS,isomer #4	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C	2976.5	Semi standard non polar	33892256
Kiwiionoside,5TMS,isomer #5	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	2978.3	Semi standard non polar	33892256
Kiwiionoside,5TMS,isomer #6	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	2980.8	Semi standard non polar	33892256
Kiwiionoside,5TMS,isomer #7	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C	2972.6	Semi standard non polar	33892256
Kiwiionoside,5TMS,isomer #8	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	2978.6	Semi standard non polar	33892256
Kiwiionoside,5TMS,isomer #9	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	2994.0	Semi standard non polar	33892256
Kiwiionoside,6TMS,isomer #1	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O)O[Si](C)(C)C	2946.1	Semi standard non polar	33892256
Kiwiionoside,6TMS,isomer #2	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	2958.5	Semi standard non polar	33892256
Kiwiionoside,6TMS,isomer #3	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	2952.8	Semi standard non polar	33892256
Kiwiionoside,6TMS,isomer #4	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	2942.8	Semi standard non polar	33892256
Kiwiionoside,6TMS,isomer #5	CC(/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	2925.2	Semi standard non polar	33892256
Kiwiionoside,6TMS,isomer #6	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C)O[Si](C)(C)C	2951.2	Semi standard non polar	33892256
Kiwiionoside,6TMS,isomer #7	CC(O)/C=C/C1(O[Si](C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CC1(C)O[Si](C)(C)C	2972.3	Semi standard non polar	33892256
Kiwiionoside,1TBDMS,isomer #1	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C	3570.4	Semi standard non polar	33892256
Kiwiionoside,1TBDMS,isomer #2	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O	3515.1	Semi standard non polar	33892256
Kiwiionoside,1TBDMS,isomer #3	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C	3488.7	Semi standard non polar	33892256
Kiwiionoside,1TBDMS,isomer #4	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CC1(C)O	3491.5	Semi standard non polar	33892256
Kiwiionoside,1TBDMS,isomer #5	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O	3522.1	Semi standard non polar	33892256
Kiwiionoside,1TBDMS,isomer #6	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O	3507.3	Semi standard non polar	33892256
Kiwiionoside,1TBDMS,isomer #7	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O	3502.4	Semi standard non polar	33892256
Kiwiionoside,2TBDMS,isomer #1	CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C	3744.3	Semi standard non polar	33892256
Kiwiionoside,2TBDMS,isomer #10	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O	3638.9	Semi standard non polar	33892256
Kiwiionoside,2TBDMS,isomer #11	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C	3691.6	Semi standard non polar	33892256
Kiwiionoside,2TBDMS,isomer #12	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C	3607.2	Semi standard non polar	33892256
Kiwiionoside,2TBDMS,isomer #13	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C	3625.2	Semi standard non polar	33892256
Kiwiionoside,2TBDMS,isomer #14	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O[Si](C)(C)C(C)(C)C	3597.0	Semi standard non polar	33892256
Kiwiionoside,2TBDMS,isomer #15	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C	3600.9	Semi standard non polar	33892256
Kiwiionoside,2TBDMS,isomer #16	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O	3649.1	Semi standard non polar	33892256
Kiwiionoside,2TBDMS,isomer #17	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O	3638.8	Semi standard non polar	33892256
Kiwiionoside,2TBDMS,isomer #18	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O	3629.5	Semi standard non polar	33892256
Kiwiionoside,2TBDMS,isomer #19	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O	3664.9	Semi standard non polar	33892256
Kiwiionoside,2TBDMS,isomer #2	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C	3693.9	Semi standard non polar	33892256
Kiwiionoside,2TBDMS,isomer #20	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O	3655.8	Semi standard non polar	33892256
Kiwiionoside,2TBDMS,isomer #21	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O	3665.3	Semi standard non polar	33892256
Kiwiionoside,2TBDMS,isomer #3	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C	3713.1	Semi standard non polar	33892256
Kiwiionoside,2TBDMS,isomer #4	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C	3693.1	Semi standard non polar	33892256
Kiwiionoside,2TBDMS,isomer #5	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O)O[Si](C)(C)C(C)(C)C	3684.0	Semi standard non polar	33892256
Kiwiionoside,2TBDMS,isomer #6	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3683.3	Semi standard non polar	33892256
Kiwiionoside,2TBDMS,isomer #7	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CC1(C)O	3650.5	Semi standard non polar	33892256
Kiwiionoside,2TBDMS,isomer #8	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O	3664.5	Semi standard non polar	33892256
Kiwiionoside,2TBDMS,isomer #9	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O	3634.6	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #1	CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C	3828.0	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #10	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C	3822.2	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #11	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O)O[Si](C)(C)C(C)(C)C	3807.5	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #12	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3797.6	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #13	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O)O[Si](C)(C)C(C)(C)C	3812.1	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #14	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3781.9	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #15	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3767.7	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #16	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O	3764.9	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #17	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O	3749.8	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #18	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O	3737.1	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #19	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C	3774.4	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #2	CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C	3844.4	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #20	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O	3768.3	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #21	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O	3756.1	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #22	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C	3785.7	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #23	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O	3764.0	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #24	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O[Si](C)(C)C(C)(C)C	3756.6	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #25	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C	3757.4	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #26	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C	3737.7	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #27	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O[Si](C)(C)C(C)(C)C	3722.9	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #28	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C	3712.2	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #29	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O[Si](C)(C)C(C)(C)C	3746.2	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #3	CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C	3831.1	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #30	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C	3734.4	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #31	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C	3737.8	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #32	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O	3795.1	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #33	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O	3780.0	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #34	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O	3779.5	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #35	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O	3797.9	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #4	CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O)O[Si](C)(C)C(C)(C)C	3816.1	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #5	CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3862.2	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #6	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C	3817.9	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #7	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C	3800.5	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #8	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O)O[Si](C)(C)C(C)(C)C	3793.6	Semi standard non polar	33892256
Kiwiionoside,3TBDMS,isomer #9	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3786.4	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #1	CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C	3912.6	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #10	CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3921.9	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #11	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C	3900.3	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #12	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O)O[Si](C)(C)C(C)(C)C	3892.3	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #13	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3875.0	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #14	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O)O[Si](C)(C)C(C)(C)C	3892.9	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #15	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3876.9	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #16	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3858.9	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #17	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O)O[Si](C)(C)C(C)(C)C	3909.3	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #18	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3898.8	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #19	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3897.2	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #2	CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C	3918.6	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #20	CC(/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3896.8	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #21	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O	3882.0	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #22	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O	3875.7	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #23	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C	3880.3	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #24	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O	3876.6	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #25	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O[Si](C)(C)C(C)(C)C	3878.9	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #26	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C	3861.2	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #27	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O	3884.7	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #28	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O[Si](C)(C)C(C)(C)C	3883.7	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #29	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C	3879.8	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #3	CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O)O[Si](C)(C)C(C)(C)C	3895.9	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #30	CC(O)/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C	3882.6	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #31	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O[Si](C)(C)C(C)(C)C	3857.1	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #32	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C	3849.2	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #33	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C	3847.2	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #34	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O[Si](C)(C)C(C)(C)C	3858.3	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #35	CC(O)/C=C/C1(O)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O	3905.1	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #4	CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3926.1	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #5	CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O)O[Si](C)(C)C(C)(C)C	3936.7	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #6	CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CC1(C)O)O[Si](C)(C)C(C)(C)C	3933.7	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #7	CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3940.8	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #8	CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CC1(C)O)O[Si](C)(C)C(C)(C)C	3935.9	Semi standard non polar	33892256
Kiwiionoside,4TBDMS,isomer #9	CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CC1(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3934.8	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 - Kiwiionoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-052r-4419000000-b046dc47c9b5170de214	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kiwiionoside GC-MS (4 TMS) - 70eV, Positive	splash10-057i-3112009000-1bd16180100c848d229b	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kiwiionoside GC-MS (TBDMS_3_23) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kiwiionoside GC-MS (TBDMS_4_8) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kiwiionoside GC-MS (TBDMS_4_24) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kiwiionoside GC-MS (TBDMS_4_27) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kiwiionoside GC-MS (TBDMS_4_30) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kiwiionoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kiwiionoside GC-MS ("Kiwiionoside,3TBDMS,#23" TMS) - 70eV, Positive	Not Available	2021-10-14	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 - Kiwiionoside 10V, Positive-QTOF	splash10-0570-0197100000-1e386916432f4ff756a0	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kiwiionoside 20V, Positive-QTOF	splash10-004i-0291000000-d8d8874fb05f0f0df6c7	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kiwiionoside 40V, Positive-QTOF	splash10-004i-4591000000-03cdc672a51ae0d633ed	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kiwiionoside 10V, Negative-QTOF	splash10-0a4i-1295600000-437d03e893efa652b1eb	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kiwiionoside 20V, Negative-QTOF	splash10-004l-2291000000-d8105555ca95e8518060	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kiwiionoside 40V, Negative-QTOF	splash10-0096-6790000000-e13950d1809e6712bdb7	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kiwiionoside 10V, Negative-QTOF	splash10-0a4i-0005900000-ffd97934457a7a143d78	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kiwiionoside 20V, Negative-QTOF	splash10-06dr-3409000000-975452f7c4da6e56dc95	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kiwiionoside 40V, Negative-QTOF	splash10-0a4i-9112000000-810701fb9ea6e696f622	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kiwiionoside 10V, Positive-QTOF	splash10-0ac9-0019100000-fe8437c0f140f123c0c3	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kiwiionoside 20V, Positive-QTOF	splash10-0a4i-1931000000-49d3d941515efd7bcd0f	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kiwiionoside 40V, Positive-QTOF	splash10-0a4i-9670000000-fbd4a0363ab880d53391	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
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

FDB018095

KNApSAcK ID

C00057882

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

131752431

PDB ID

Not Available

ChEBI ID

168221

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1870571

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 ]
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Showing metabocard for Kiwiionoside (HMDB0038691)

MOL for HMDB0038691 (Kiwiionoside)

3D MOL for HMDB0038691 (Kiwiionoside)

3D SDF for HMDB0038691 (Kiwiionoside)

3D-SDF for HMDB0038691 (Kiwiionoside)

PDB for HMDB0038691 (Kiwiionoside)

3D PDB for HMDB0038691 (Kiwiionoside)

SMILES for HMDB0038691 (Kiwiionoside)

INCHI for HMDB0038691 (Kiwiionoside)

Structure for HMDB0038691 (Kiwiionoside)

3D Structure for HMDB0038691 (Kiwiionoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra